N E dE d eps ncg rms rms(c)
RMM: 1 -0.528820281769E+04 -0.52882E+04 -0.59007E+05 1560 0.170E+03
RMM: 2 0.860959760987E+03 0.61492E+04 -0.15407E+05 1560 0.340E+02
RMM: 3 0.104228783285E+04 0.18133E+03 -0.32937E+04 1560 0.208E+02
RMM: 4 -0.200119090632E+03 -0.12424E+04 -0.15627E+04 1560 0.158E+02
RMM: 5 -0.777115923444E+03 -0.57700E+03 -0.71873E+03 1560 0.118E+02
RMM: 6 -0.103728780869E+04 -0.26017E+03 -0.27176E+03 1560 0.788E+01
RMM: 7 -0.114170970259E+04 -0.10442E+03 -0.10563E+03 1560 0.496E+01
RMM: 8 -0.117607693975E+04 -0.34367E+02 -0.38851E+02 1560 0.270E+01
RMM: 9 -0.118460640957E+04 -0.85295E+01 -0.15099E+02 4116 0.182E+01
RMM: 10 -0.119187302714E+04 -0.72666E+01 -0.71165E+01 4798 0.766E+00
RMM: 11 -0.119271561556E+04 -0.84259E+00 -0.86738E+00 4715 0.260E+00
RMM: 12 -0.119288727612E+04 -0.17166E+00 -0.18571E+00 4895 0.997E-01 0.586E+01
RMM: 13 -0.109901447648E+04 0.93873E+02 -0.37397E+02 4689 0.128E+01 0.272E+01
RMM: 14 -0.109264990754E+04 0.63646E+01 -0.29029E+01 4684 0.343E+00 0.155E+01
RMM: 15 -0.109231263830E+04 0.33727E+00 -0.62679E+00 4392 0.223E+00 0.596E+00
RMM: 16 -0.109053316354E+04 0.17795E+01 -0.20155E+00 4175 0.125E+00 0.256E+00
RMM: 17 -0.109036993851E+04 0.16323E+00 -0.52132E-01 4596 0.642E-01 0.188E+00
RMM: 18 -0.109018033678E+04 0.18960E+00 -0.11449E-01 4449 0.330E-01 0.871E-01
RMM: 19 -0.109018115620E+04 -0.81942E-03 -0.48658E-02 4461 0.180E-01 0.716E-01
RMM: 20 -0.109016323391E+04 0.17922E-01 -0.31373E-02 3953 0.151E-01 0.355E-01
RMM: 21 -0.109015550574E+04 0.77282E-02 -0.25189E-02 3883 0.112E-01 0.206E-01
RMM: 22 -0.109015381719E+04 0.16885E-02 -0.66407E-03 3695 0.594E-02 0.139E-01
RMM: 23 -0.109015493583E+04 -0.11186E-02 -0.44587E-03 3466 0.477E-02 0.852E-02
RMM: 24 -0.109015754711E+04 -0.26113E-02 -0.40420E-03 3521 0.391E-02 0.544E-02
RMM: 25 -0.109015999705E+04 -0.24499E-02 -0.11643E-03 3308 0.243E-02 0.345E-02
RMM: 26 -0.109016267958E+04 -0.26825E-02 -0.74410E-04 3136 0.189E-02 0.244E-02
RMM: 27 -0.109016437532E+04 -0.16957E-02 -0.20050E-04 2481 0.121E-02 0.166E-02
RMM: 28 -0.109016626849E+04 -0.18932E-02 -0.14472E-04 2193 0.986E-03 0.112E-02
RMM: 29 -0.109016744565E+04 -0.11772E-02 -0.73757E-05 1923 0.738E-03 0.726E-03
RMM: 30 -0.109016808074E+04 -0.63509E-03 -0.50718E-05 1908 0.686E-03 0.465E-03
RMM: 31 -0.109016837552E+04 -0.29478E-03 -0.23590E-05 1780 0.645E-03 0.283E-03
RMM: 32 -0.109016850724E+04 -0.13172E-03 -0.47461E-05 1724 0.835E-03 0.159E-03
RMM: 33 -0.109016854798E+04 -0.40737E-04 -0.41378E-05 1423 0.825E-03
1 T= 703. E= -.10760847E+04 F= -.10901685E+04 E0= -.10901346E+04 EK= 0.14084E+02 SP= 0.00E+00 SK= 0.25E-09
N E dE d eps ncg rms rms(c)
RMM: 1 -0.108933741622E+04 0.83109E+00 -0.49985E+01 3346 0.735E+00 0.156E+00
RMM: 2 -0.108957335181E+04 -0.23594E+00 -0.31495E+00 4243 0.222E+00 0.114E+00
RMM: 3 -0.108960212590E+04 -0.28774E-01 -0.41845E-01 4147 0.699E-01 0.784E-01
RMM: 4 -0.108961116764E+04 -0.90417E-02 -0.11109E-01 4168 0.325E-01 0.375E-01
RMM: 5 -0.108960778809E+04 0.33796E-02 -0.29057E-02 4244 0.149E-01 0.250E-01
RMM: 6 -0.108960539655E+04 0.23915E-02 -0.38365E-03 3545 0.609E-02 0.133E-01
RMM: 7 -0.108960515261E+04 0.24394E-03 -0.14996E-03 3260 0.367E-02 0.883E-02
RMM: 8 -0.108960518759E+04 -0.34983E-04 -0.70175E-04 3078 0.240E-02
2 T= 677. E= -.10760448E+04 F= -.10896052E+04 E0= -.10895717E+04 EK= 0.13560E+02 SP= -.26E-04 SK= 0.61E-04
N E dE d eps ncg rms rms(c)
RMM: 1 -0.108846436031E+04 0.11408E+01 -0.20829E+00 3091 0.119E+00 0.381E-01
RMM: 2 -0.108847347325E+04 -0.91129E-02 -0.13178E-01 3666 0.297E-01 0.274E-01
RMM: 3 -0.108847607339E+04 -0.26001E-02 -0.32344E-02 3566 0.117E-01 0.236E-01
RMM: 4 -0.108847675692E+04 -0.68354E-03 -0.37443E-03 3228 0.477E-02 0.200E-01
RMM: 5 -0.108847627503E+04 0.48190E-03 -0.21397E-03 3068 0.355E-02 0.937E-02
RMM: 6 -0.108847629614E+04 -0.21113E-04 -0.62710E-04 2850 0.216E-02
3 T= 625. E= -.10759701E+04 F= -.10884763E+04 E0= -.10884426E+04 EK= 0.12518E+02 SP= -.13E-01 SK= 0.15E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.108775109197E+04 0.72518E+00 -0.12281E+00 3223 0.101E+00 0.370E-01
RMM: 2 -0.108775760459E+04 -0.65126E-02 -0.61205E-02 3569 0.234E-01 0.312E-01
RMM: 3 -0.108775733228E+04 0.27231E-03 -0.12137E-02 3299 0.901E-02 0.270E-01
RMM: 4 -0.108775709976E+04 0.23252E-03 -0.34132E-03 3057 0.463E-02 0.105E-01
RMM: 5 -0.108775794018E+04 -0.84042E-03 -0.13940E-03 3157 0.290E-02 0.114E-01
RMM: 6 -0.108775719688E+04 0.74330E-03 -0.25909E-04 2305 0.150E-02 0.352E-02
RMM: 7 -0.108775722579E+04 -0.28909E-04 -0.20697E-04 2131 0.114E-02
4 T= 591. E= -.10759635E+04 F= -.10877572E+04 E0= -.10877238E+04 EK= 0.11849E+02 SP= -.65E-01 SK= 0.90E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.108752053054E+04 0.23667E+00 -0.33001E-01 3798 0.555E-01 0.213E-01
RMM: 2 -0.108752298039E+04 -0.24499E-02 -0.28443E-02 3600 0.169E-01 0.169E-01
RMM: 3 -0.108752284859E+04 0.13180E-03 -0.65119E-03 3516 0.688E-02 0.127E-01
RMM: 4 -0.108752280644E+04 0.42151E-04 -0.12995E-03 3132 0.307E-02 0.720E-02
RMM: 5 -0.108752313710E+04 -0.33066E-03 -0.34534E-04 2507 0.177E-02 0.699E-02
RMM: 6 -0.108752304679E+04 0.90312E-04 -0.12284E-04 2020 0.129E-02
5 T= 582. E= -.10760011E+04 F= -.10875230E+04 E0= -.10874898E+04 EK= 0.11667E+02 SP= -.17E+00 SK= 0.27E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.108721644995E+04 0.30669E+00 -0.46685E-01 3902 0.668E-01 0.250E-01
RMM: 2 -0.108721928884E+04 -0.28389E-02 -0.39297E-02 3826 0.200E-01 0.199E-01
RMM: 3 -0.108721992458E+04 -0.63574E-03 -0.81079E-03 3528 0.827E-02 0.163E-01
RMM: 4 -0.108721959703E+04 0.32755E-03 -0.22187E-03 3122 0.401E-02 0.827E-02
RMM: 5 -0.108721973526E+04 -0.13822E-03 -0.75394E-04 3123 0.231E-02 0.563E-02
RMM: 6 -0.108721968930E+04 0.45955E-04 -0.14057E-04 1951 0.120E-02
6 T= 573. E= -.10760161E+04 F= -.10872197E+04 E0= -.10871866E+04 EK= 0.11485E+02 SP= -.34E+00 SK= 0.57E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.108654764483E+04 0.67209E+00 -0.55574E-01 4035 0.763E-01 0.231E-01
RMM: 2 -0.108655149371E+04 -0.38489E-02 -0.44087E-02 3976 0.224E-01 0.192E-01
RMM: 3 -0.108655253898E+04 -0.10453E-02 -0.13181E-02 3693 0.100E-01 0.203E-01
RMM: 4 -0.108655195682E+04 0.58217E-03 -0.15398E-03 3129 0.376E-02 0.128E-01
RMM: 5 -0.108655225402E+04 -0.29721E-03 -0.25525E-03 2943 0.337E-02 0.754E-02
RMM: 6 -0.108655204112E+04 0.21290E-03 -0.43915E-04 2817 0.194E-02 0.462E-02
RMM: 7 -0.108655200193E+04 0.39194E-04 -0.69347E-05 1807 0.927E-03
7 T= 549. E= -.10760115E+04 F= -.10865520E+04 E0= -.10865190E+04 EK= 0.11006E+02 SP= -.57E+00 SK= 0.10E+00
N E dE d eps ncg rms rms(c)
RMM: 1 -0.108554960111E+04 0.10024E+01 -0.56413E-01 3874 0.803E-01 0.157E-01
RMM: 2 -0.108555382156E+04 -0.42204E-02 -0.45859E-02 3929 0.244E-01 0.132E-01
RMM: 3 -0.108555451447E+04 -0.69292E-03 -0.96148E-03 3818 0.959E-02 0.133E-01
RMM: 4 -0.108555438785E+04 0.12662E-03 -0.13359E-03 3251 0.356E-02 0.107E-01
RMM: 5 -0.108555444123E+04 -0.53379E-04 -0.82470E-04 2886 0.240E-02
8 T= 512. E= -.10759902E+04 F= -.10855544E+04 E0= -.10855215E+04 EK= 0.10260E+02 SP= -.88E+00 SK= 0.18E+00
N E dE d eps ncg rms rms(c)
RMM: 1 -0.108455401240E+04 0.10004E+01 -0.74459E-01 3726 0.915E-01 0.246E-01
RMM: 2 -0.108455986496E+04 -0.58526E-02 -0.62093E-02 4127 0.284E-01 0.246E-01
RMM: 3 -0.108455871544E+04 0.11495E-02 -0.99435E-03 3876 0.102E-01 0.191E-01
RMM: 4 -0.108455834977E+04 0.36567E-03 -0.24017E-03 3460 0.441E-02 0.130E-01
RMM: 5 -0.108455875281E+04 -0.40304E-03 -0.19294E-03 2998 0.332E-02 0.938E-02
RMM: 6 -0.108455839891E+04 0.35389E-03 -0.49166E-04 2898 0.210E-02 0.454E-02
RMM: 7 -0.108455835410E+04 0.44813E-04 -0.91025E-05 1857 0.106E-02
9 T= 479. E= -.10759486E+04 F= -.10845584E+04 E0= -.10845257E+04 EK= 0.95875E+01 SP= -.13E+01 SK= 0.30E+00
N E dE d eps ncg rms rms(c)
RMM: 1 -0.108415961664E+04 0.39878E+00 -0.82436E-01 3860 0.916E-01 0.314E-01
RMM: 2 -0.108416585652E+04 -0.62399E-02 -0.67186E-02 4042 0.272E-01 0.304E-01
RMM: 3 -0.108416478660E+04 0.10699E-02 -0.13446E-02 3970 0.107E-01 0.265E-01
RMM: 4 -0.108416424085E+04 0.54575E-03 -0.23819E-03 3259 0.427E-02 0.177E-01
RMM: 5 -0.108416509414E+04 -0.85329E-03 -0.29927E-03 3013 0.388E-02 0.124E-01
RMM: 6 -0.108416431061E+04 0.78353E-03 -0.53849E-04 2893 0.224E-02 0.511E-02
RMM: 7 -0.108416427368E+04 0.36935E-04 -0.13718E-04 2028 0.112E-02
10 T= 477. E= -.10759392E+04 F= -.10841643E+04 E0= -.10841319E+04 EK= 0.95512E+01 SP= -.18E+01 SK= 0.46E+00
N E dE d eps ncg rms rms(c)
RMM: 1 -0.108449162109E+04 -0.32731E+00 -0.34224E-01 4042 0.578E-01 0.170E-01
RMM: 2 -0.108449448315E+04 -0.28621E-02 -0.31623E-02 3945 0.177E-01 0.133E-01
RMM: 3 -0.108449522205E+04 -0.73890E-03 -0.91455E-03 3831 0.772E-02 0.137E-01
RMM: 4 -0.108449497669E+04 0.24536E-03 -0.93122E-04 3015 0.280E-02 0.953E-02
RMM: 5 -0.108449519628E+04 -0.21959E-03 -0.95144E-04 2899 0.240E-02 0.588E-02
RMM: 6 -0.108449517157E+04 0.24707E-04 -0.32114E-04 2656 0.164E-02
11 T= 512. E= -.10760031E+04 F= -.10844952E+04 E0= -.10844630E+04 EK= 0.10259E+02 SP= -.24E+01 SK= 0.65E+00
N E dE d eps ncg rms rms(c)
RMM: 1 -0.108470523838E+04 -0.21004E+00 -0.40853E-01 3891 0.604E-01 0.210E-01
RMM: 2 -0.108470851672E+04 -0.32783E-02 -0.38701E-02 3858 0.181E-01 0.159E-01
RMM: 3 -0.108470935076E+04 -0.83405E-03 -0.87657E-03 3720 0.727E-02 0.132E-01
RMM: 4 -0.108470944884E+04 -0.98080E-04 -0.14339E-03 3138 0.307E-02 0.110E-01
RMM: 5 -0.108470948237E+04 -0.33530E-04 -0.70884E-04 2887 0.226E-02
12 T= 547. E= -.10760517E+04 F= -.10847095E+04 E0= -.10846775E+04 EK= 0.10967E+02 SP= -.31E+01 SK= 0.82E+00
N E dE d eps ncg rms rms(c)
RMM: 1 -0.108411401918E+04 0.59543E+00 -0.76593E-01 3840 0.855E-01 0.323E-01
RMM: 2 -0.108411895099E+04 -0.49318E-02 -0.64021E-02 3953 0.249E-01 0.239E-01
RMM: 3 -0.108412032677E+04 -0.13758E-02 -0.16204E-02 3824 0.105E-01 0.227E-01
RMM: 4 -0.108411947343E+04 0.85334E-03 -0.24370E-03 3213 0.425E-02 0.132E-01
RMM: 5 -0.108411984686E+04 -0.37343E-03 -0.10103E-03 2983 0.271E-02 0.852E-02
RMM: 6 -0.108411953683E+04 0.31002E-03 -0.42877E-04 2722 0.186E-02 0.359E-02
RMM: 7 -0.108411952291E+04 0.13921E-04 -0.92313E-05 1827 0.102E-02
13 T= 550. E= -.10760223E+04 F= -.10841195E+04 E0= -.10840877E+04 EK= 0.11028E+02 SP= -.39E+01 SK= 0.10E+01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.108309089001E+04 0.10286E+01 -0.12408E+00 3881 0.113E+00 0.288E-01
RMM: 2 -0.108309927761E+04 -0.83876E-02 -0.94400E-02 4107 0.338E-01 0.272E-01
RMM: 3 -0.108309979568E+04 -0.51807E-03 -0.19951E-02 4000 0.131E-01 0.254E-01
RMM: 4 -0.108309948082E+04 0.31486E-03 -0.30732E-03 3446 0.507E-02 0.195E-01
RMM: 5 -0.108309985126E+04 -0.37044E-03 -0.19178E-03 3030 0.373E-02 0.957E-02
RMM: 6 -0.108309940154E+04 0.44972E-03 -0.54978E-04 2972 0.227E-02 0.387E-02
RMM: 7 -0.108309936947E+04 0.32068E-04 -0.11428E-04 1981 0.112E-02
14 T= 536. E= -.10759637E+04 F= -.10830994E+04 E0= -.10830677E+04 EK= 0.10740E+02 SP= -.48E+01 SK= 0.12E+01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.108244651073E+04 0.65289E+00 -0.92400E-01 4049 0.948E-01 0.303E-01
RMM: 2 -0.108245337694E+04 -0.68662E-02 -0.79636E-02 4043 0.280E-01 0.253E-01
RMM: 3 -0.108245519199E+04 -0.18151E-02 -0.21220E-02 3981 0.121E-01 0.248E-01
RMM: 4 -0.108245442409E+04 0.76790E-03 -0.29341E-03 3316 0.469E-02 0.161E-01
RMM: 5 -0.108245459212E+04 -0.16803E-03 -0.25549E-03 3115 0.360E-02 0.702E-02
RMM: 6 -0.108245444897E+04 0.14315E-03 -0.57061E-04 2877 0.213E-02 0.489E-02
RMM: 7 -0.108245442067E+04 0.28301E-04 -0.10872E-04 1974 0.111E-02
15 T= 541. E= -.10759585E+04 F= -.10824544E+04 E0= -.10824232E+04 EK= 0.10831E+02 SP= -.58E+01 SK= 0.14E+01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.108230728608E+04 0.14716E+00 -0.55707E-01 4066 0.749E-01 0.237E-01
RMM: 2 -0.108231136654E+04 -0.40805E-02 -0.48600E-02 4068 0.226E-01 0.177E-01
RMM: 3 -0.108231270324E+04 -0.13367E-02 -0.14662E-02 3930 0.994E-02 0.165E-01
RMM: 4 -0.108231228992E+04 0.41331E-03 -0.19574E-03 3200 0.402E-02 0.860E-02
RMM: 5 -0.108231244051E+04 -0.15059E-03 -0.68935E-04 3151 0.232E-02 0.568E-02
RMM: 6 -0.108231238453E+04 0.55975E-04 -0.21060E-04 2132 0.139E-02
16 T= 572. E= -.10759963E+04 F= -.10823124E+04 E0= -.10822814E+04 EK= 0.11470E+02 SP= -.68E+01 SK= 0.16E+01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.108217885037E+04 0.13359E+00 -0.64150E-01 4090 0.809E-01 0.288E-01
RMM: 2 -0.108218356604E+04 -0.47157E-02 -0.54942E-02 4047 0.238E-01 0.226E-01
RMM: 3 -0.108218505343E+04 -0.14874E-02 -0.18905E-02 4040 0.109E-01 0.228E-01
RMM: 4 -0.108218409895E+04 0.95447E-03 -0.29626E-03 3164 0.441E-02 0.108E-01
RMM: 5 -0.108218450747E+04 -0.40851E-03 -0.17807E-03 3132 0.314E-02 0.831E-02
RMM: 6 -0.108218423509E+04 0.27238E-03 -0.36798E-04 2517 0.173E-02 0.461E-02
RMM: 7 -0.108218423837E+04 -0.32840E-05 -0.10991E-04 1972 0.109E-02
17 T= 611. E= -.10760159E+04 F= -.10821842E+04 E0= -.10821534E+04 EK= 0.12247E+02 SP= -.79E+01 SK= 0.18E+01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.108172874939E+04 0.45549E+00 -0.76379E-01 4065 0.905E-01 0.265E-01
RMM: 2 -0.108173404945E+04 -0.53001E-02 -0.61157E-02 4082 0.255E-01 0.208E-01
RMM: 3 -0.108173588375E+04 -0.18343E-02 -0.21121E-02 4111 0.113E-01 0.217E-01
RMM: 4 -0.108173492728E+04 0.95647E-03 -0.24109E-03 3229 0.428E-02 0.121E-01
RMM: 5 -0.108173512963E+04 -0.20235E-03 -0.24401E-03 3065 0.338E-02 0.687E-02
RMM: 6 -0.108173495708E+04 0.17255E-03 -0.39243E-04 2679 0.195E-02 0.442E-02
RMM: 7 -0.108173493136E+04 0.25719E-04 -0.11628E-04 2005 0.110E-02
18 T= 640. E= -.10760146E+04 F= -.10817349E+04 E0= -.10817045E+04 EK= 0.12816E+02 SP= -.90E+01 SK= 0.19E+01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.108092165814E+04 0.81330E+00 -0.78178E-01 4108 0.964E-01 0.195E-01
RMM: 2 -0.108092797328E+04 -0.63151E-02 -0.65358E-02 4075 0.277E-01 0.149E-01
RMM: 3 -0.108092995729E+04 -0.19840E-02 -0.21301E-02 4169 0.120E-01 0.154E-01
RMM: 4 -0.108092977146E+04 0.18583E-03 -0.19700E-03 3425 0.399E-02 0.122E-01
RMM: 5 -0.108092975829E+04 0.13170E-04 -0.11347E-03 3054 0.274E-02 0.665E-02
RMM: 6 -0.108092974416E+04 0.14130E-04 -0.95987E-04 3027 0.233E-02
19 T= 654. E= -.10760026E+04 F= -.10809297E+04 E0= -.10808995E+04 EK= 0.13105E+02 SP= -.10E+02 SK= 0.20E+01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107996452661E+04 0.96523E+00 -0.10007E+00 4167 0.111E+00 0.262E-01
RMM: 2 -0.107997232509E+04 -0.77985E-02 -0.84115E-02 4083 0.325E-01 0.174E-01
RMM: 3 -0.107997505325E+04 -0.27282E-02 -0.27941E-02 4233 0.145E-01 0.185E-01
RMM: 4 -0.107997450888E+04 0.54436E-03 -0.26076E-03 3415 0.471E-02 0.126E-01
RMM: 5 -0.107997456793E+04 -0.59048E-04 -0.18839E-03 3096 0.352E-02 0.601E-02
RMM: 6 -0.107997458915E+04 -0.21222E-04 -0.53194E-04 3084 0.202E-02
20 T= 664. E= -.10759645E+04 F= -.10799746E+04 E0= -.10799448E+04 EK= 0.13313E+02 SP= -.11E+02 SK= 0.21E+01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107946162950E+04 0.51294E+00 -0.14108E+00 4149 0.125E+00 0.349E-01
RMM: 2 -0.107947233493E+04 -0.10705E-01 -0.11835E-01 4136 0.367E-01 0.262E-01
RMM: 3 -0.107947631553E+04 -0.39806E-02 -0.41314E-02 4366 0.166E-01 0.281E-01
RMM: 4 -0.107947523340E+04 0.10821E-02 -0.32943E-03 3438 0.536E-02 0.205E-01
RMM: 5 -0.107947541742E+04 -0.18401E-03 -0.66818E-03 3098 0.554E-02 0.980E-02
RMM: 6 -0.107947532623E+04 0.91186E-04 -0.10408E-03 3183 0.282E-02 0.895E-02
RMM: 7 -0.107947507580E+04 0.25043E-03 -0.30233E-04 2277 0.159E-02 0.485E-02
RMM: 8 -0.107947504853E+04 0.27274E-04 -0.92496E-04 2665 0.203E-02
21 T= 700. E= -.10759341E+04 F= -.10794750E+04 E0= -.10794456E+04 EK= 0.14025E+02 SP= -.13E+02 SK= 0.21E+01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107986804342E+04 -0.39297E+00 -0.10958E+00 4113 0.104E+00 0.330E-01
RMM: 2 -0.107987865788E+04 -0.10614E-01 -0.12500E-01 4268 0.340E-01 0.266E-01
RMM: 3 -0.107988163637E+04 -0.29785E-02 -0.37201E-02 4449 0.142E-01 0.235E-01
RMM: 4 -0.107988110510E+04 0.53126E-03 -0.31188E-03 3319 0.497E-02 0.166E-01
RMM: 5 -0.107988106318E+04 0.41927E-04 -0.20285E-03 3111 0.354E-02 0.704E-02
RMM: 6 -0.107988105910E+04 0.40740E-05 -0.74074E-04 3186 0.225E-02
22 T= 782. E= -.10759896E+04 F= -.10798811E+04 E0= -.10798519E+04 EK= 0.15658E+02 SP= -.14E+02 SK= 0.21E+01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.108051583563E+04 -0.63477E+00 -0.11092E+00 4075 0.100E+00 0.381E-01
RMM: 2 -0.108052631528E+04 -0.10480E-01 -0.13155E-01 4330 0.319E-01 0.253E-01
RMM: 3 -0.108052940338E+04 -0.30881E-02 -0.32681E-02 4341 0.130E-01 0.191E-01
RMM: 4 -0.108052937018E+04 0.33192E-04 -0.48407E-03 3452 0.520E-02 0.151E-01
RMM: 5 -0.108052916827E+04 0.20191E-03 -0.14075E-03 3153 0.299E-02 0.806E-02
RMM: 6 -0.108052925196E+04 -0.83690E-04 -0.59654E-04 3043 0.209E-02
23 T= 880. E= -.10760578E+04 F= -.10805293E+04 E0= -.10805004E+04 EK= 0.17630E+02 SP= -.15E+02 SK= 0.19E+01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.108044240535E+04 0.86763E-01 -0.18312E+00 4130 0.132E+00 0.484E-01
RMM: 2 -0.108045534802E+04 -0.12943E-01 -0.17000E-01 4236 0.376E-01 0.345E-01
RMM: 3 -0.108046045739E+04 -0.51094E-02 -0.50984E-02 4355 0.161E-01 0.289E-01
RMM: 4 -0.108045917624E+04 0.12812E-02 -0.61032E-03 3547 0.639E-02 0.184E-01
RMM: 5 -0.108045922438E+04 -0.48142E-04 -0.25445E-03 3231 0.376E-02 0.976E-02
RMM: 6 -0.108045922685E+04 -0.24628E-05 -0.90790E-04 3199 0.240E-02
24 T= 946. E= -.10760785E+04 F= -.10804592E+04 E0= -.10804309E+04 EK= 0.18957E+02 SP= -.16E+02 SK= 0.15E+01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107935731172E+04 0.11019E+01 -0.18754E+00 4166 0.143E+00 0.329E-01
RMM: 2 -0.107937298669E+04 -0.15675E-01 -0.16901E-01 4179 0.412E-01 0.244E-01
RMM: 3 -0.107937898682E+04 -0.60001E-02 -0.61531E-02 4497 0.180E-01 0.261E-01
RMM: 4 -0.107937840253E+04 0.58430E-03 -0.49590E-03 3595 0.582E-02 0.202E-01
RMM: 5 -0.107937855789E+04 -0.15536E-03 -0.33832E-03 3160 0.428E-02 0.995E-02
RMM: 6 -0.107937862583E+04 -0.67943E-04 -0.16734E-03 3193 0.308E-02 0.911E-02
RMM: 7 -0.107937838109E+04 0.24474E-03 -0.26234E-04 2568 0.155E-02 0.630E-02
RMM: 8 -0.107937828478E+04 0.96306E-04 -0.38981E-04 2423 0.147E-02
25 T= 961. E= -.10760146E+04 F= -.10793783E+04 E0= -.10793505E+04 EK= 0.19262E+02 SP= -.17E+02 SK= 0.12E+01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107814831035E+04 0.12301E+01 -0.25419E+00 4174 0.161E+00 0.503E-01
RMM: 2 -0.107816461930E+04 -0.16309E-01 -0.20147E-01 4148 0.460E-01 0.387E-01
RMM: 3 -0.107817020770E+04 -0.55884E-02 -0.66114E-02 4418 0.202E-01 0.256E-01
RMM: 4 -0.107816996062E+04 0.24709E-03 -0.80842E-03 3731 0.808E-02 0.173E-01
RMM: 5 -0.107816928988E+04 0.67074E-03 -0.21013E-03 3267 0.391E-02 0.878E-02
RMM: 6 -0.107816938847E+04 -0.98597E-04 -0.57859E-04 3138 0.217E-02
26 T= 963. E= -.10759299E+04 F= -.10781694E+04 E0= -.10781421E+04 EK= 0.19297E+02 SP= -.18E+02 SK= 0.88E+00
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107790817091E+04 0.26112E+00 -0.19510E+00 4145 0.142E+00 0.442E-01
RMM: 2 -0.107792835388E+04 -0.20183E-01 -0.21833E-01 4353 0.429E-01 0.376E-01
RMM: 3 -0.107793323263E+04 -0.48788E-02 -0.60760E-02 4528 0.172E-01 0.355E-01
RMM: 4 -0.107793208152E+04 0.11511E-02 -0.58723E-03 3530 0.637E-02 0.219E-01
RMM: 5 -0.107793247918E+04 -0.39766E-03 -0.38485E-03 3239 0.442E-02 0.775E-02
RMM: 6 -0.107793243944E+04 0.39742E-04 -0.96689E-04 3156 0.257E-02
27 T= 999. E= -.10759778E+04 F= -.10779324E+04 E0= -.10779055E+04 EK= 0.20013E+02 SP= -.19E+02 SK= 0.60E+00
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107810830811E+04 -0.17583E+00 -0.13333E+00 4053 0.116E+00 0.348E-01
RMM: 2 -0.107812629807E+04 -0.17990E-01 -0.18856E-01 4437 0.373E-01 0.308E-01
RMM: 3 -0.107812906285E+04 -0.27648E-02 -0.41670E-02 4485 0.138E-01 0.276E-01
RMM: 4 -0.107812843121E+04 0.63164E-03 -0.44362E-03 3474 0.537E-02 0.174E-01
RMM: 5 -0.107812870896E+04 -0.27776E-03 -0.36457E-03 3162 0.412E-02 0.599E-02
RMM: 6 -0.107812878696E+04 -0.77999E-04 -0.83824E-04 3110 0.238E-02
28 T= 1047. E= -.10760429E+04 F= -.10781288E+04 E0= -.10781025E+04 EK= 0.20974E+02 SP= -.19E+02 SK= 0.34E+00
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107780093342E+04 0.32778E+00 -0.17650E+00 4124 0.132E+00 0.434E-01
RMM: 2 -0.107782198795E+04 -0.21055E-01 -0.22124E-01 4404 0.394E-01 0.386E-01
RMM: 3 -0.107782460655E+04 -0.26186E-02 -0.40857E-02 4535 0.141E-01 0.335E-01
RMM: 4 -0.107782432100E+04 0.28555E-03 -0.49516E-03 3481 0.562E-02 0.253E-01
RMM: 5 -0.107782427895E+04 0.42043E-04 -0.12837E-02 3183 0.643E-02 0.126E-01
RMM: 6 -0.107782413015E+04 0.14880E-03 -0.15621E-03 3058 0.356E-02 0.114E-01
RMM: 7 -0.107782386977E+04 0.26038E-03 -0.33868E-04 2614 0.164E-02 0.925E-02
RMM: 8 -0.107782360254E+04 0.26722E-03 -0.19297E-03 2812 0.246E-02 0.192E-02
RMM: 9 -0.107782369410E+04 -0.91556E-04 -0.91712E-04 2862 0.193E-02
29 T= 1062. E= -.10760439E+04 F= -.10778237E+04 E0= -.10777977E+04 EK= 0.21270E+02 SP= -.20E+02 SK= 0.14E+00
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107684555286E+04 0.97805E+00 -0.17980E+00 4155 0.140E+00 0.329E-01
RMM: 2 -0.107686142822E+04 -0.15875E-01 -0.17902E-01 4254 0.406E-01 0.252E-01
RMM: 3 -0.107686598986E+04 -0.45616E-02 -0.54681E-02 4534 0.164E-01 0.186E-01
RMM: 4 -0.107686647557E+04 -0.48571E-03 -0.50429E-03 3717 0.597E-02 0.145E-01
RMM: 5 -0.107686597349E+04 0.50207E-03 -0.14253E-03 3214 0.325E-02 0.560E-02
RMM: 6 -0.107686603699E+04 -0.63494E-04 -0.54972E-04 3135 0.197E-02
30 T= 1032. E= -.10760264E+04 F= -.10768660E+04 E0= -.10768406E+04 EK= 0.20667E+02 SP= -.20E+02 SK= 0.30E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107544792539E+04 0.14180E+01 -0.17040E+00 4171 0.138E+00 0.311E-01
RMM: 2 -0.107546443377E+04 -0.16508E-01 -0.17350E-01 4221 0.404E-01 0.208E-01
RMM: 3 -0.107547047541E+04 -0.60416E-02 -0.58423E-02 4582 0.171E-01 0.209E-01
RMM: 4 -0.107547013000E+04 0.34541E-03 -0.46586E-03 3825 0.566E-02 0.162E-01
RMM: 5 -0.107547032638E+04 -0.19638E-03 -0.41998E-03 3218 0.445E-02 0.897E-02
RMM: 6 -0.107547047726E+04 -0.15088E-03 -0.14996E-03 3244 0.299E-02 0.965E-02
RMM: 7 -0.107547025900E+04 0.21827E-03 -0.21088E-04 2213 0.147E-02 0.710E-02
RMM: 8 -0.107547013044E+04 0.12856E-03 -0.80311E-04 2627 0.190E-02 0.173E-02
RMM: 9 -0.107547016292E+04 -0.32482E-04 -0.38666E-04 2487 0.144E-02
31 T= 968. E= -.10759911E+04 F= -.10754702E+04 E0= -.10754450E+04 EK= 0.19399E+02 SP= -.20E+02 SK= 0.12E-04
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107411351610E+04 0.13566E+01 -0.21466E+00 4144 0.155E+00 0.348E-01
RMM: 2 -0.107413384866E+04 -0.20333E-01 -0.21492E-01 4212 0.469E-01 0.264E-01
RMM: 3 -0.107414060615E+04 -0.67575E-02 -0.70542E-02 4553 0.200E-01 0.254E-01
RMM: 4 -0.107414020730E+04 0.39886E-03 -0.58379E-03 3875 0.676E-02 0.191E-01
RMM: 5 -0.107414032008E+04 -0.11278E-03 -0.30784E-03 3224 0.440E-02 0.685E-02
RMM: 6 -0.107414036694E+04 -0.46867E-04 -0.10748E-03 3312 0.273E-02 0.620E-02
RMM: 7 -0.107414020864E+04 0.15830E-03 -0.19467E-04 2132 0.143E-02 0.340E-02
RMM: 8 -0.107414018319E+04 0.25455E-04 -0.17457E-04 2003 0.125E-02
32 T= 901. E= -.10759267E+04 F= -.10741402E+04 E0= -.10741154E+04 EK= 0.18045E+02 SP= -.20E+02 SK= 0.20E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107366790715E+04 0.47230E+00 -0.24717E+00 4123 0.158E+00 0.502E-01
RMM: 2 -0.107368805352E+04 -0.20146E-01 -0.25656E-01 4308 0.480E-01 0.374E-01
RMM: 3 -0.107369308055E+04 -0.50270E-02 -0.69281E-02 4553 0.195E-01 0.240E-01
RMM: 4 -0.107369474555E+04 -0.16650E-02 -0.94661E-03 3919 0.789E-02 0.210E-01
RMM: 5 -0.107369322108E+04 0.15245E-02 -0.17202E-03 3269 0.385E-02 0.811E-02
RMM: 6 -0.107369338106E+04 -0.15997E-03 -0.67785E-04 3131 0.221E-02 0.519E-02
RMM: 7 -0.107369325963E+04 0.12143E-03 -0.21639E-04 2102 0.140E-02 0.248E-02
RMM: 8 -0.107369325178E+04 0.78509E-05 -0.59220E-05 1860 0.116E-02
33 T= 868. E= -.10759177E+04 F= -.10736933E+04 E0= -.10736688E+04 EK= 0.17399E+02 SP= -.20E+02 SK= 0.62E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107413848648E+04 -0.44523E+00 -0.19484E+00 4092 0.137E+00 0.381E-01
RMM: 2 -0.107416030975E+04 -0.21823E-01 -0.25160E-01 4426 0.431E-01 0.309E-01
RMM: 3 -0.107416433094E+04 -0.40212E-02 -0.50891E-02 4519 0.162E-01 0.216E-01
RMM: 4 -0.107416544826E+04 -0.11173E-02 -0.68668E-03 3723 0.668E-02 0.138E-01
RMM: 5 -0.107416491119E+04 0.53707E-03 -0.20445E-03 3267 0.370E-02 0.617E-02
RMM: 6 -0.107416492245E+04 -0.11261E-04 -0.47259E-04 2658 0.197E-02
34 T= 872. E= -.10760095E+04 F= -.10741649E+04 E0= -.10741407E+04 EK= 0.17472E+02 SP= -.19E+02 SK= 0.12E+00
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107428206697E+04 -0.11716E+00 -0.18647E+00 4088 0.137E+00 0.398E-01
RMM: 2 -0.107430168194E+04 -0.19615E-01 -0.20888E-01 4369 0.392E-01 0.358E-01
RMM: 3 -0.107430550893E+04 -0.38270E-02 -0.49836E-02 4465 0.150E-01 0.336E-01
RMM: 4 -0.107430505822E+04 0.45070E-03 -0.57717E-03 3660 0.556E-02 0.258E-01
RMM: 5 -0.107430539514E+04 -0.33691E-03 -0.72787E-03 3121 0.545E-02 0.881E-02
RMM: 6 -0.107430545741E+04 -0.62268E-04 -0.15453E-03 3298 0.325E-02 0.893E-02
RMM: 7 -0.107430518767E+04 0.26973E-03 -0.23622E-04 2355 0.147E-02 0.565E-02
RMM: 8 -0.107430519238E+04 -0.47035E-05 -0.18786E-03 2778 0.248E-02 0.414E-02
RMM: 9 -0.107430512279E+04 0.69591E-04 -0.23909E-04 2004 0.127E-02
35 T= 855. E= -.10760763E+04 F= -.10743051E+04 E0= -.10742813E+04 EK= 0.17139E+02 SP= -.19E+02 SK= 0.20E+00
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107318731471E+04 0.11179E+01 -0.18378E+00 4094 0.141E+00 0.380E-01
RMM: 2 -0.107320225740E+04 -0.14943E-01 -0.16272E-01 4150 0.380E-01 0.295E-01
RMM: 3 -0.107320744596E+04 -0.51886E-02 -0.53454E-02 4407 0.161E-01 0.284E-01
RMM: 4 -0.107320656634E+04 0.87962E-03 -0.48259E-03 3650 0.571E-02 0.192E-01
RMM: 5 -0.107320666350E+04 -0.97163E-04 -0.30740E-03 3125 0.405E-02 0.566E-02
RMM: 6 -0.107320675396E+04 -0.90464E-04 -0.95590E-04 3289 0.248E-02
36 T= 780. E= -.10760180E+04 F= -.10732068E+04 E0= -.10731832E+04 EK= 0.15628E+02 SP= -.19E+02 SK= 0.26E+00
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107173346380E+04 0.14732E+01 -0.24885E+00 4045 0.166E+00 0.450E-01
RMM: 2 -0.107174597185E+04 -0.12508E-01 -0.17098E-01 4111 0.451E-01 0.331E-01
RMM: 3 -0.107175029979E+04 -0.43279E-02 -0.50654E-02 4399 0.187E-01 0.251E-01
RMM: 4 -0.107174976692E+04 0.53286E-03 -0.69319E-03 3681 0.720E-02 0.180E-01
RMM: 5 -0.107174941695E+04 0.34997E-03 -0.17065E-03 3227 0.353E-02 0.890E-02
RMM: 6 -0.107174948868E+04 -0.71727E-04 -0.73706E-04 3106 0.235E-02
37 T= 691. E= -.10758867E+04 F= -.10717495E+04 E0= -.10717260E+04 EK= 0.13838E+02 SP= -.18E+02 SK= 0.28E+00
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107162362588E+04 0.12579E+00 -0.27804E+00 4129 0.174E+00 0.545E-01
RMM: 2 -0.107164274108E+04 -0.19115E-01 -0.22268E-01 4155 0.467E-01 0.419E-01
RMM: 3 -0.107164920910E+04 -0.64680E-02 -0.69236E-02 4487 0.204E-01 0.389E-01
RMM: 4 -0.107164708177E+04 0.21273E-02 -0.74754E-03 3595 0.755E-02 0.234E-01
RMM: 5 -0.107164732998E+04 -0.24821E-03 -0.58572E-03 3241 0.524E-02 0.720E-02
RMM: 6 -0.107164729364E+04 0.36338E-04 -0.80618E-04 2985 0.263E-02
38 T= 663. E= -.10759105E+04 F= -.10716473E+04 E0= -.10716241E+04 EK= 0.13290E+02 SP= -.18E+02 SK= 0.26E+00
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107258571493E+04 -0.93838E+00 -0.10677E+00 4021 0.106E+00 0.317E-01
RMM: 2 -0.107259896474E+04 -0.13250E-01 -0.13338E-01 4412 0.323E-01 0.301E-01
RMM: 3 -0.107260001402E+04 -0.10493E-02 -0.30381E-02 4278 0.122E-01 0.272E-01
RMM: 4 -0.107259968007E+04 0.33395E-03 -0.31660E-03 3541 0.448E-02 0.198E-01
RMM: 5 -0.107260012061E+04 -0.44054E-03 -0.31173E-03 3152 0.398E-02 0.813E-02
RMM: 6 -0.107259988353E+04 0.23707E-03 -0.91642E-04 3198 0.251E-02 0.498E-02
RMM: 7 -0.107259984702E+04 0.36515E-04 -0.17621E-04 2117 0.119E-02
39 T= 686. E= -.10760131E+04 F= -.10725998E+04 E0= -.10725769E+04 EK= 0.13738E+02 SP= -.17E+02 SK= 0.25E+00
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107317875453E+04 -0.57887E+00 -0.14184E+00 4001 0.114E+00 0.458E-01
RMM: 2 -0.107319184676E+04 -0.13092E-01 -0.14494E-01 4310 0.324E-01 0.380E-01
RMM: 3 -0.107319434647E+04 -0.24997E-02 -0.35215E-02 4229 0.127E-01 0.344E-01
RMM: 4 -0.107319255227E+04 0.17942E-02 -0.59007E-03 3307 0.574E-02 0.169E-01
RMM: 5 -0.107319298158E+04 -0.42930E-03 -0.51725E-03 3197 0.462E-02 0.788E-02
RMM: 6 -0.107319283141E+04 0.15017E-03 -0.60382E-04 2869 0.237E-02 0.592E-02
RMM: 7 -0.107319275967E+04 0.71740E-04 -0.63252E-04 2662 0.174E-02
40 T= 694. E= -.10760317E+04 F= -.10731928E+04 E0= -.10731699E+04 EK= 0.13909E+02 SP= -.17E+02 SK= 0.24E+00
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107303759654E+04 0.15523E+00 -0.14653E+00 4099 0.122E+00 0.338E-01
RMM: 2 -0.107304923430E+04 -0.11638E-01 -0.13278E-01 4250 0.334E-01 0.293E-01
RMM: 3 -0.107305187749E+04 -0.26432E-02 -0.38782E-02 4328 0.136E-01 0.287E-01
RMM: 4 -0.107305077880E+04 0.10987E-02 -0.42217E-03 3452 0.498E-02 0.190E-01
RMM: 5 -0.107305086700E+04 -0.88206E-04 -0.59803E-03 3083 0.470E-02 0.694E-02
RMM: 6 -0.107305089629E+04 -0.29286E-04 -0.11243E-03 3217 0.274E-02 0.661E-02
RMM: 7 -0.107305077754E+04 0.11875E-03 -0.19182E-04 2205 0.130E-02 0.354E-02
RMM: 8 -0.107305077291E+04 0.46378E-05 -0.47222E-04 2508 0.149E-02
41 T= 669. E= -.10760088E+04 F= -.10730508E+04 E0= -.10730281E+04 EK= 0.13397E+02 SP= -.17E+02 SK= 0.23E+00
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107249097088E+04 0.55981E+00 -0.13781E+00 4122 0.127E+00 0.251E-01
RMM: 2 -0.107250309675E+04 -0.12126E-01 -0.11915E-01 4143 0.355E-01 0.196E-01
RMM: 3 -0.107250683751E+04 -0.37408E-02 -0.41158E-02 4383 0.151E-01 0.199E-01
RMM: 4 -0.107250672746E+04 0.11005E-03 -0.38056E-03 3634 0.500E-02 0.144E-01
RMM: 5 -0.107250677929E+04 -0.51826E-04 -0.18278E-03 3069 0.339E-02 0.305E-02
RMM: 6 -0.107250682953E+04 -0.50240E-04 -0.51045E-04 2877 0.190E-02
42 T= 625. E= -.10759723E+04 F= -.10725068E+04 E0= -.10724842E+04 EK= 0.12531E+02 SP= -.16E+02 SK= 0.20E+00
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107215135550E+04 0.35542E+00 -0.15209E+00 4104 0.129E+00 0.358E-01
RMM: 2 -0.107216309737E+04 -0.11742E-01 -0.13695E-01 4168 0.371E-01 0.254E-01
RMM: 3 -0.107216763597E+04 -0.45386E-02 -0.48114E-02 4422 0.164E-01 0.199E-01
RMM: 4 -0.107216746218E+04 0.17379E-03 -0.54993E-03 3653 0.611E-02 0.142E-01
RMM: 5 -0.107216732431E+04 0.13787E-03 -0.15116E-03 3229 0.328E-02 0.597E-02
RMM: 6 -0.107216746886E+04 -0.14455E-03 -0.63906E-04 3097 0.207E-02 0.490E-02
RMM: 7 -0.107216733924E+04 0.12961E-03 -0.13598E-04 2004 0.129E-02 0.231E-02
RMM: 8 -0.107216734673E+04 -0.74853E-05 -0.25912E-04 2197 0.146E-02
43 T= 596. E= -.10759239E+04 F= -.10721673E+04 E0= -.10721450E+04 EK= 0.11935E+02 SP= -.16E+02 SK= 0.15E+00
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107272175433E+04 -0.55442E+00 -0.16444E+00 4084 0.127E+00 0.379E-01
RMM: 2 -0.107273534084E+04 -0.13587E-01 -0.16535E-01 4256 0.381E-01 0.315E-01
RMM: 3 -0.107273865970E+04 -0.33189E-02 -0.45982E-02 4438 0.153E-01 0.197E-01
RMM: 4 -0.107273999989E+04 -0.13402E-02 -0.67523E-03 3647 0.633E-02 0.160E-01
RMM: 5 -0.107273880711E+04 0.11928E-02 -0.15226E-03 3265 0.341E-02 0.613E-02
RMM: 6 -0.107273884912E+04 -0.42006E-04 -0.43617E-04 2728 0.181E-02
44 T= 611. E= -.10759282E+04 F= -.10727388E+04 E0= -.10727165E+04 EK= 0.12247E+02 SP= -.16E+02 SK= 0.11E+00
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107411837593E+04 -0.13796E+01 -0.13067E+00 4051 0.110E+00 0.323E-01
RMM: 2 -0.107413192302E+04 -0.13547E-01 -0.14948E-01 4383 0.340E-01 0.284E-01
RMM: 3 -0.107413489637E+04 -0.29733E-02 -0.39777E-02 4345 0.132E-01 0.272E-01
RMM: 4 -0.107413448280E+04 0.41357E-03 -0.43973E-03 3566 0.482E-02 0.203E-01
RMM: 5 -0.107413472633E+04 -0.24354E-03 -0.45538E-03 3149 0.443E-02 0.647E-02
RMM: 6 -0.107413482925E+04 -0.10292E-03 -0.10724E-03 3194 0.267E-02 0.670E-02
RMM: 7 -0.107413465172E+04 0.17753E-03 -0.16369E-04 2134 0.134E-02 0.350E-02
RMM: 8 -0.107413467604E+04 -0.24322E-04 -0.64886E-04 2543 0.177E-02
45 T= 665. E= -.10760174E+04 F= -.10741347E+04 E0= -.10741126E+04 EK= 0.13325E+02 SP= -.15E+02 SK= 0.85E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107516151265E+04 -0.10269E+01 -0.14325E+00 3898 0.119E+00 0.327E-01
RMM: 2 -0.107517536659E+04 -0.13854E-01 -0.14850E-01 4240 0.342E-01 0.293E-01
RMM: 3 -0.107517902250E+04 -0.36559E-02 -0.45517E-02 4110 0.135E-01 0.300E-01
RMM: 4 -0.107517860394E+04 0.41856E-03 -0.38331E-03 3510 0.456E-02 0.257E-01
RMM: 5 -0.107517855011E+04 0.53827E-04 -0.92983E-03 3116 0.549E-02 0.922E-02
RMM: 6 -0.107517898241E+04 -0.43230E-03 -0.30549E-03 3335 0.374E-02 0.120E-01
RMM: 7 -0.107517859323E+04 0.38918E-03 -0.30376E-04 2563 0.149E-02 0.879E-02
RMM: 8 -0.107517846516E+04 0.12807E-03 -0.40170E-03 2779 0.322E-02 0.545E-02
RMM: 9 -0.107517837273E+04 0.92435E-04 -0.57494E-04 2163 0.167E-02
46 T= 703. E= -.10760774E+04 F= -.10751784E+04 E0= -.10751565E+04 EK= 0.14082E+02 SP= -.15E+02 SK= 0.78E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107505472608E+04 0.12374E+00 -0.17696E+00 4062 0.134E+00 0.353E-01
RMM: 2 -0.107506741355E+04 -0.12687E-01 -0.14387E-01 4067 0.348E-01 0.257E-01
RMM: 3 -0.107507200903E+04 -0.45955E-02 -0.49147E-02 4156 0.149E-01 0.223E-01
RMM: 4 -0.107507219243E+04 -0.18340E-03 -0.50271E-03 3520 0.529E-02 0.177E-01
RMM: 5 -0.107507217516E+04 0.17278E-04 -0.48218E-03 3185 0.464E-02 0.947E-02
RMM: 6 -0.107507215964E+04 0.15521E-04 -0.98351E-04 3150 0.264E-02
47 T= 688. E= -.10760455E+04 F= -.10750722E+04 E0= -.10750505E+04 EK= 0.13777E+02 SP= -.15E+02 SK= 0.76E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107435223473E+04 0.71994E+00 -0.20216E+00 4068 0.146E+00 0.396E-01
RMM: 2 -0.107436471300E+04 -0.12478E-01 -0.15594E-01 4058 0.401E-01 0.308E-01
RMM: 3 -0.107436934867E+04 -0.46357E-02 -0.51077E-02 4308 0.174E-01 0.297E-01
RMM: 4 -0.107436825063E+04 0.10980E-02 -0.59960E-03 3460 0.636E-02 0.180E-01
RMM: 5 -0.107436843832E+04 -0.18769E-03 -0.20572E-03 3298 0.369E-02 0.855E-02
RMM: 6 -0.107436837785E+04 0.60467E-04 -0.83036E-04 3141 0.231E-02
48 T= 646. E= -.10759555E+04 F= -.10743684E+04 E0= -.10743470E+04 EK= 0.12948E+02 SP= -.15E+02 SK= 0.64E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107430010311E+04 0.68335E-01 -0.24607E+00 4073 0.161E+00 0.440E-01
RMM: 2 -0.107432301654E+04 -0.22913E-01 -0.23365E-01 4202 0.449E-01 0.370E-01
RMM: 3 -0.107432989553E+04 -0.68790E-02 -0.79796E-02 4358 0.196E-01 0.402E-01
RMM: 4 -0.107432882180E+04 0.10737E-02 -0.62074E-03 3637 0.624E-02 0.336E-01
RMM: 5 -0.107432944685E+04 -0.62505E-03 -0.22118E-02 3129 0.831E-02 0.149E-01
RMM: 6 -0.107432951509E+04 -0.68238E-04 -0.42882E-03 3341 0.492E-02 0.162E-01
RMM: 7 -0.107432874552E+04 0.76957E-03 -0.52399E-04 2775 0.196E-02 0.115E-01
RMM: 8 -0.107432855107E+04 0.19446E-03 -0.71363E-03 2970 0.426E-02 0.587E-02
RMM: 9 -0.107432846561E+04 0.85458E-04 -0.62524E-04 2412 0.217E-02
49 T= 636. E= -.10759481E+04 F= -.10743285E+04 E0= -.10743073E+04 EK= 0.12736E+02 SP= -.14E+02 SK= 0.47E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107505971081E+04 -0.73116E+00 -0.13779E+00 3945 0.120E+00 0.342E-01
RMM: 2 -0.107507272293E+04 -0.13012E-01 -0.13756E-01 4165 0.345E-01 0.289E-01
RMM: 3 -0.107507671164E+04 -0.39887E-02 -0.43258E-02 4216 0.142E-01 0.254E-01
RMM: 4 -0.107507626479E+04 0.44685E-03 -0.52424E-03 3363 0.556E-02 0.130E-01
RMM: 5 -0.107507641016E+04 -0.14538E-03 -0.20666E-03 3298 0.317E-02 0.554E-02
RMM: 6 -0.107507641157E+04 -0.14025E-05 -0.41070E-04 2342 0.163E-02
50 T= 662. E= -.10760203E+04 F= -.10750764E+04 E0= -.10750555E+04 EK= 0.13260E+02 SP= -.14E+02 SK= 0.34E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107560693022E+04 -0.53052E+00 -0.12818E+00 4036 0.112E+00 0.371E-01
RMM: 2 -0.107561752274E+04 -0.10593E-01 -0.11894E-01 4139 0.313E-01 0.307E-01
RMM: 3 -0.107562076714E+04 -0.32444E-02 -0.38171E-02 4162 0.132E-01 0.276E-01
RMM: 4 -0.107562004286E+04 0.72428E-03 -0.39296E-03 3300 0.493E-02 0.178E-01
RMM: 5 -0.107562022196E+04 -0.17910E-03 -0.46828E-03 3164 0.431E-02 0.668E-02
RMM: 6 -0.107562019106E+04 0.30901E-04 -0.86867E-04 3008 0.239E-02
51 T= 680. E= -.10760603E+04 F= -.10756202E+04 E0= -.10755995E+04 EK= 0.13626E+02 SP= -.14E+02 SK= 0.28E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107533736676E+04 0.28286E+00 -0.14034E+00 4054 0.121E+00 0.314E-01
RMM: 2 -0.107534948681E+04 -0.12120E-01 -0.12612E-01 4148 0.330E-01 0.271E-01
RMM: 3 -0.107535285348E+04 -0.33667E-02 -0.41310E-02 4189 0.141E-01 0.300E-01
RMM: 4 -0.107535230728E+04 0.54620E-03 -0.31454E-03 3386 0.436E-02 0.266E-01
RMM: 5 -0.107535205985E+04 0.24744E-03 -0.13363E-02 3160 0.651E-02 0.116E-01
RMM: 6 -0.107535280934E+04 -0.74949E-03 -0.53413E-03 3402 0.466E-02 0.163E-01
RMM: 7 -0.107535221907E+04 0.59026E-03 -0.39617E-04 2691 0.172E-02 0.129E-01
RMM: 8 -0.107535174345E+04 0.47562E-03 -0.58757E-03 2904 0.400E-02 0.340E-02
RMM: 9 -0.107535179235E+04 -0.48902E-04 -0.78452E-04 2667 0.226E-02
52 T= 661. E= -.10760404E+04 F= -.10753518E+04 E0= -.10753314E+04 EK= 0.13251E+02 SP= -.14E+02 SK= 0.22E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107451287756E+04 0.83887E+00 -0.13970E+00 4057 0.125E+00 0.313E-01
RMM: 2 -0.107452140369E+04 -0.85261E-02 -0.98615E-02 4046 0.332E-01 0.235E-01
RMM: 3 -0.107452434518E+04 -0.29415E-02 -0.31719E-02 4184 0.145E-01 0.231E-01
RMM: 4 -0.107452351585E+04 0.82934E-03 -0.40635E-03 3367 0.528E-02 0.117E-01
RMM: 5 -0.107452361783E+04 -0.10199E-03 -0.14467E-03 3215 0.300E-02 0.544E-02
RMM: 6 -0.107452360598E+04 0.11849E-04 -0.45442E-04 2491 0.172E-02
53 T= 618. E= -.10759888E+04 F= -.10745236E+04 E0= -.10745034E+04 EK= 0.12372E+02 SP= -.14E+02 SK= 0.12E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107384388395E+04 0.67973E+00 -0.14860E+00 4080 0.130E+00 0.344E-01
RMM: 2 -0.107385347893E+04 -0.95950E-02 -0.11452E-01 4047 0.347E-01 0.258E-01
RMM: 3 -0.107385688499E+04 -0.34061E-02 -0.37917E-02 4191 0.155E-01 0.192E-01
RMM: 4 -0.107385661835E+04 0.26663E-03 -0.55197E-03 3522 0.601E-02 0.125E-01
RMM: 5 -0.107385644973E+04 0.16862E-03 -0.13066E-03 3228 0.301E-02 0.656E-02
RMM: 6 -0.107385651343E+04 -0.63700E-04 -0.43271E-04 2824 0.180E-02
54 T= 583. E= -.10759545E+04 F= -.10738565E+04 E0= -.10738366E+04 EK= 0.11679E+02 SP= -.14E+02 SK= 0.23E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107384252488E+04 0.13925E-01 -0.12476E+00 4049 0.118E+00 0.330E-01
RMM: 2 -0.107385183868E+04 -0.93138E-02 -0.10762E-01 4093 0.322E-01 0.271E-01
RMM: 3 -0.107385481283E+04 -0.29742E-02 -0.34594E-02 4174 0.140E-01 0.257E-01
RMM: 4 -0.107385406789E+04 0.74495E-03 -0.41880E-03 3352 0.526E-02 0.152E-01
RMM: 5 -0.107385415475E+04 -0.86859E-04 -0.23968E-03 3205 0.352E-02 0.509E-02
RMM: 6 -0.107385423545E+04 -0.80700E-04 -0.55781E-04 2725 0.190E-02
55 T= 582. E= -.10759583E+04 F= -.10738542E+04 E0= -.10738347E+04 EK= 0.11664E+02 SP= -.14E+02 SK= 0.54E-03
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107443520088E+04 -0.58105E+00 -0.10877E+00 4044 0.107E+00 0.303E-01
RMM: 2 -0.107444444337E+04 -0.92425E-02 -0.10358E-01 4151 0.304E-01 0.255E-01
RMM: 3 -0.107444681934E+04 -0.23760E-02 -0.30889E-02 4161 0.131E-01 0.254E-01
RMM: 4 -0.107444616191E+04 0.65742E-03 -0.35196E-03 3376 0.480E-02 0.164E-01
RMM: 5 -0.107444624985E+04 -0.87935E-04 -0.24689E-03 3031 0.341E-02 0.576E-02
RMM: 6 -0.107444633522E+04 -0.85366E-04 -0.73921E-04 3043 0.213E-02
56 T= 612. E= -.10760015E+04 F= -.10744463E+04 E0= -.10744271E+04 EK= 0.12256E+02 SP= -.14E+02 SK= 0.74E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107500688027E+04 -0.56063E+00 -0.13106E+00 4036 0.125E+00 0.263E-01
RMM: 2 -0.107501943188E+04 -0.12552E-01 -0.12952E-01 4182 0.340E-01 0.240E-01
RMM: 3 -0.107502239209E+04 -0.29602E-02 -0.34873E-02 4104 0.140E-01 0.255E-01
RMM: 4 -0.107502232705E+04 0.65045E-04 -0.36080E-03 3433 0.463E-02 0.243E-01
RMM: 5 -0.107502191454E+04 0.41251E-03 -0.45224E-03 3071 0.421E-02 0.115E-01
RMM: 6 -0.107502306102E+04 -0.11465E-02 -0.66995E-03 2970 0.472E-02 0.156E-01
RMM: 7 -0.107502252989E+04 0.53113E-03 -0.56974E-04 2768 0.220E-02 0.122E-01
RMM: 8 -0.107502207437E+04 0.45552E-03 -0.48247E-03 2844 0.362E-02 0.422E-02
RMM: 9 -0.107502209887E+04 -0.24498E-04 -0.52143E-04 2413 0.195E-02
57 T= 642. E= -.10760475E+04 F= -.10750221E+04 E0= -.10750030E+04 EK= 0.12870E+02 SP= -.14E+02 SK= 0.17E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107493568573E+04 0.86389E-01 -0.15924E+00 4069 0.141E+00 0.282E-01
RMM: 2 -0.107494754267E+04 -0.11857E-01 -0.12618E-01 4087 0.351E-01 0.225E-01
RMM: 3 -0.107495094828E+04 -0.34056E-02 -0.38574E-02 4160 0.149E-01 0.201E-01
RMM: 4 -0.107495124492E+04 -0.29664E-03 -0.49878E-03 3526 0.532E-02 0.158E-01
RMM: 5 -0.107495112644E+04 0.11848E-03 -0.32119E-03 3175 0.408E-02 0.683E-02
RMM: 6 -0.107495112880E+04 -0.23571E-05 -0.79064E-04 3125 0.224E-02
58 T= 644. E= -.10760513E+04 F= -.10749511E+04 E0= -.10749323E+04 EK= 0.12909E+02 SP= -.14E+02 SK= 0.28E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107422532829E+04 0.72580E+00 -0.15835E+00 4050 0.139E+00 0.309E-01
RMM: 2 -0.107423651269E+04 -0.11184E-01 -0.12872E-01 4073 0.373E-01 0.226E-01
RMM: 3 -0.107424049981E+04 -0.39871E-02 -0.41746E-02 4303 0.160E-01 0.216E-01
RMM: 4 -0.107424011440E+04 0.38542E-03 -0.45909E-03 3632 0.555E-02 0.156E-01
RMM: 5 -0.107424009547E+04 0.18932E-04 -0.24822E-03 3200 0.380E-02 0.568E-02
RMM: 6 -0.107424014154E+04 -0.46071E-04 -0.72436E-04 3056 0.218E-02
59 T= 618. E= -.10759952E+04 F= -.10742401E+04 E0= -.10742216E+04 EK= 0.12392E+02 SP= -.14E+02 SK= 0.44E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107372093461E+04 0.51916E+00 -0.22605E+00 4062 0.162E+00 0.413E-01
RMM: 2 -0.107373608861E+04 -0.15154E-01 -0.17929E-01 4116 0.425E-01 0.356E-01
RMM: 3 -0.107374029601E+04 -0.42074E-02 -0.53876E-02 4352 0.180E-01 0.354E-01
RMM: 4 -0.107373914544E+04 0.11506E-02 -0.60570E-03 3561 0.643E-02 0.237E-01
RMM: 5 -0.107373927363E+04 -0.12819E-03 -0.59857E-03 3155 0.509E-02 0.728E-02
RMM: 6 -0.107373934565E+04 -0.72020E-04 -0.12818E-03 3208 0.283E-02 0.707E-02
RMM: 7 -0.107373916368E+04 0.18197E-03 -0.28875E-04 2444 0.154E-02 0.339E-02
RMM: 8 -0.107373917351E+04 -0.98331E-05 -0.59915E-04 2539 0.167E-02
60 T= 604. E= -.10759448E+04 F= -.10737392E+04 E0= -.10737208E+04 EK= 0.12111E+02 SP= -.14E+02 SK= 0.69E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107412011266E+04 -0.38095E+00 -0.17285E+00 4021 0.142E+00 0.402E-01
RMM: 2 -0.107413244209E+04 -0.12329E-01 -0.14635E-01 4107 0.371E-01 0.327E-01
RMM: 3 -0.107413579658E+04 -0.33545E-02 -0.41403E-02 4200 0.158E-01 0.297E-01
RMM: 4 -0.107413471769E+04 0.10789E-02 -0.66211E-03 3421 0.639E-02 0.156E-01
RMM: 5 -0.107413493872E+04 -0.22103E-03 -0.30165E-03 3362 0.380E-02 0.658E-02
RMM: 6 -0.107413497843E+04 -0.39707E-04 -0.60158E-04 2637 0.191E-02
61 T= 632. E= -.10760015E+04 F= -.10741350E+04 E0= -.10741168E+04 EK= 0.12665E+02 SP= -.15E+02 SK= 0.98E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107471567676E+04 -0.58074E+00 -0.11962E+00 4036 0.119E+00 0.313E-01
RMM: 2 -0.107472530070E+04 -0.96239E-02 -0.10878E-01 4111 0.330E-01 0.254E-01
RMM: 3 -0.107472772997E+04 -0.24293E-02 -0.30589E-02 4111 0.138E-01 0.201E-01
RMM: 4 -0.107472790282E+04 -0.17285E-03 -0.49719E-03 3505 0.556E-02 0.139E-01
RMM: 5 -0.107472769828E+04 0.20454E-03 -0.22159E-03 3211 0.355E-02 0.511E-02
RMM: 6 -0.107472771218E+04 -0.13905E-04 -0.45146E-04 2841 0.183E-02
62 T= 672. E= -.10760643E+04 F= -.10747277E+04 E0= -.10747097E+04 EK= 0.13454E+02 SP= -.15E+02 SK= 0.12E+00
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107462871749E+04 0.98981E-01 -0.17794E+00 4043 0.148E+00 0.371E-01
RMM: 2 -0.107464035183E+04 -0.11634E-01 -0.13678E-01 4061 0.383E-01 0.300E-01
RMM: 3 -0.107464312567E+04 -0.27738E-02 -0.37509E-02 4177 0.161E-01 0.247E-01
RMM: 4 -0.107464304989E+04 0.75777E-04 -0.56823E-03 3518 0.612E-02 0.172E-01
RMM: 5 -0.107464289664E+04 0.15325E-03 -0.53029E-03 3222 0.486E-02 0.839E-02
RMM: 6 -0.107464277491E+04 0.12173E-03 -0.81060E-04 3084 0.252E-02 0.657E-02
RMM: 7 -0.107464266965E+04 0.10526E-03 -0.36009E-04 2446 0.146E-02 0.391E-02
RMM: 8 -0.107464268195E+04 -0.12299E-04 -0.75388E-04 2685 0.172E-02
63 T= 682. E= -.10760509E+04 F= -.10746427E+04 E0= -.10746248E+04 EK= 0.13666E+02 SP= -.15E+02 SK= 0.13E+00
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107394520576E+04 0.69746E+00 -0.17547E+00 4069 0.152E+00 0.342E-01
RMM: 2 -0.107395424773E+04 -0.90420E-02 -0.11589E-01 4109 0.385E-01 0.257E-01
RMM: 3 -0.107395664587E+04 -0.23981E-02 -0.33651E-02 4202 0.162E-01 0.167E-01
RMM: 4 -0.107395690091E+04 -0.25503E-03 -0.54499E-03 3705 0.621E-02 0.123E-01
RMM: 5 -0.107395652173E+04 0.37917E-03 -0.11642E-03 3210 0.300E-02 0.627E-02
RMM: 6 -0.107395654684E+04 -0.25109E-04 -0.42738E-04 2934 0.178E-02
64 T= 664. E= -.10760187E+04 F= -.10739565E+04 E0= -.10739389E+04 EK= 0.13304E+02 SP= -.16E+02 SK= 0.14E+00
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107313245287E+04 0.82407E+00 -0.15631E+00 4072 0.144E+00 0.292E-01
RMM: 2 -0.107314211292E+04 -0.96601E-02 -0.11290E-01 4075 0.387E-01 0.212E-01
RMM: 3 -0.107314536987E+04 -0.32570E-02 -0.35165E-02 4305 0.167E-01 0.205E-01
RMM: 4 -0.107314487719E+04 0.49268E-03 -0.44189E-03 3668 0.575E-02 0.128E-01
RMM: 5 -0.107314491520E+04 -0.38006E-04 -0.14994E-03 3209 0.333E-02 0.530E-02
RMM: 6 -0.107314496847E+04 -0.53268E-04 -0.63415E-04 3097 0.207E-02
65 T= 641. E= -.10759746E+04 F= -.10731450E+04 E0= -.10731275E+04 EK= 0.12837E+02 SP= -.16E+02 SK= 0.17E+00
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107284739476E+04 0.29752E+00 -0.17893E+00 4044 0.150E+00 0.357E-01
RMM: 2 -0.107285830121E+04 -0.10906E-01 -0.13429E-01 4067 0.404E-01 0.292E-01
RMM: 3 -0.107286149600E+04 -0.31948E-02 -0.39201E-02 4349 0.172E-01 0.285E-01
RMM: 4 -0.107286064916E+04 0.84684E-03 -0.50343E-03 3598 0.601E-02 0.183E-01
RMM: 5 -0.107286067973E+04 -0.30570E-04 -0.32210E-03 3199 0.423E-02 0.544E-02
RMM: 6 -0.107286074613E+04 -0.66405E-04 -0.85670E-04 3186 0.240E-02
66 T= 644. E= -.10759531E+04 F= -.10728607E+04 E0= -.10728431E+04 EK= 0.12899E+02 SP= -.16E+02 SK= 0.20E+00
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107340453109E+04 -0.54385E+00 -0.11908E+00 4085 0.124E+00 0.266E-01
RMM: 2 -0.107341426603E+04 -0.97349E-02 -0.10866E-01 4116 0.351E-01 0.217E-01
RMM: 3 -0.107341724712E+04 -0.29811E-02 -0.33332E-02 4291 0.150E-01 0.217E-01
RMM: 4 -0.107341691159E+04 0.33553E-03 -0.31550E-03 3574 0.500E-02 0.174E-01
RMM: 5 -0.107341699409E+04 -0.82495E-04 -0.61782E-03 3166 0.502E-02 0.715E-02
RMM: 6 -0.107341697860E+04 0.15488E-04 -0.91946E-04 3010 0.275E-02
67 T= 688. E= -.10759947E+04 F= -.10734170E+04 E0= -.10733996E+04 EK= 0.13778E+02 SP= -.17E+02 SK= 0.22E+00
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107427152317E+04 -0.85453E+00 -0.12446E+00 4086 0.125E+00 0.306E-01
RMM: 2 -0.107428239396E+04 -0.10871E-01 -0.12111E-01 4137 0.354E-01 0.247E-01
RMM: 3 -0.107428529580E+04 -0.29018E-02 -0.34686E-02 4267 0.148E-01 0.220E-01
RMM: 4 -0.107428503458E+04 0.26122E-03 -0.37564E-03 3585 0.526E-02 0.163E-01
RMM: 5 -0.107428504062E+04 -0.60430E-05 -0.42160E-03 3218 0.431E-02 0.599E-02
RMM: 6 -0.107428501487E+04 0.25744E-04 -0.62153E-04 2800 0.225E-02
68 T= 748. E= -.10760514E+04 F= -.10742850E+04 E0= -.10742675E+04 EK= 0.14989E+02 SP= -.17E+02 SK= 0.21E+00
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107468195771E+04 -0.39692E+00 -0.17814E+00 4081 0.153E+00 0.346E-01
RMM: 2 -0.107469514872E+04 -0.13191E-01 -0.14744E-01 4131 0.395E-01 0.276E-01
RMM: 3 -0.107469864103E+04 -0.34923E-02 -0.43336E-02 4281 0.167E-01 0.258E-01
RMM: 4 -0.107469803790E+04 0.60313E-03 -0.50181E-03 3693 0.583E-02 0.189E-01
RMM: 5 -0.107469798025E+04 0.57652E-04 -0.53936E-03 3226 0.476E-02 0.720E-02
RMM: 6 -0.107469803494E+04 -0.54693E-04 -0.13764E-03 3297 0.281E-02 0.668E-02
RMM: 7 -0.107469790820E+04 0.12675E-03 -0.30660E-04 2379 0.143E-02 0.435E-02
RMM: 8 -0.107469787535E+04 0.32844E-04 -0.72071E-04 2588 0.169E-02
69 T= 788. E= -.10760781E+04 F= -.10746979E+04 E0= -.10746803E+04 EK= 0.15778E+02 SP= -.17E+02 SK= 0.18E+00
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107435425259E+04 0.34366E+00 -0.20717E+00 4097 0.165E+00 0.322E-01
RMM: 2 -0.107436612425E+04 -0.11872E-01 -0.14287E-01 4106 0.428E-01 0.234E-01
RMM: 3 -0.107437020257E+04 -0.40783E-02 -0.45104E-02 4323 0.181E-01 0.192E-01
RMM: 4 -0.107437012481E+04 0.77760E-04 -0.63627E-03 3792 0.661E-02 0.135E-01
RMM: 5 -0.107437000557E+04 0.11924E-03 -0.18182E-03 3243 0.361E-02 0.551E-02
RMM: 6 -0.107437004566E+04 -0.40098E-04 -0.66250E-04 3117 0.211E-02
70 T= 792. E= -.10760336E+04 F= -.10743700E+04 E0= -.10743525E+04 EK= 0.15863E+02 SP= -.18E+02 SK= 0.13E+00
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107400085903E+04 0.36915E+00 -0.28913E+00 4126 0.192E+00 0.478E-01
RMM: 2 -0.107401599499E+04 -0.15136E-01 -0.20665E-01 4144 0.518E-01 0.360E-01
RMM: 3 -0.107402124287E+04 -0.52479E-02 -0.64613E-02 4453 0.222E-01 0.292E-01
RMM: 4 -0.107402013964E+04 0.11032E-02 -0.10169E-02 3827 0.844E-02 0.178E-01
RMM: 5 -0.107401992836E+04 0.21127E-03 -0.22843E-03 3383 0.416E-02 0.881E-02
RMM: 6 -0.107402006815E+04 -0.13979E-03 -0.10263E-03 3234 0.261E-02 0.407E-02
RMM: 7 -0.107402003622E+04 0.31930E-04 -0.32284E-04 2324 0.156E-02
71 T= 794. E= -.10759641E+04 F= -.10740200E+04 E0= -.10740024E+04 EK= 0.15903E+02 SP= -.18E+02 SK= 0.99E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107458747589E+04 -0.56741E+00 -0.24549E+00 4096 0.177E+00 0.477E-01
RMM: 2 -0.107460373894E+04 -0.16263E-01 -0.20161E-01 4163 0.467E-01 0.386E-01
RMM: 3 -0.107460831003E+04 -0.45711E-02 -0.55799E-02 4439 0.196E-01 0.339E-01
RMM: 4 -0.107460698392E+04 0.13261E-02 -0.88391E-03 3680 0.778E-02 0.180E-01
RMM: 5 -0.107460709250E+04 -0.10858E-03 -0.37241E-03 3363 0.450E-02 0.724E-02
RMM: 6 -0.107460708993E+04 0.25730E-05 -0.78621E-04 3067 0.236E-02
72 T= 834. E= -.10760128E+04 F= -.10746071E+04 E0= -.10745894E+04 EK= 0.16717E+02 SP= -.18E+02 SK= 0.62E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107555145398E+04 -0.94436E+00 -0.16584E+00 4074 0.139E+00 0.394E-01
RMM: 2 -0.107556539346E+04 -0.13939E-01 -0.15902E-01 4190 0.389E-01 0.332E-01
RMM: 3 -0.107556851793E+04 -0.31245E-02 -0.45345E-02 4331 0.163E-01 0.329E-01
RMM: 4 -0.107556754599E+04 0.97193E-03 -0.52668E-03 3554 0.583E-02 0.227E-01
RMM: 5 -0.107556773357E+04 -0.18758E-03 -0.62472E-03 3130 0.491E-02 0.663E-02
RMM: 6 -0.107556783923E+04 -0.10566E-03 -0.13141E-03 3161 0.282E-02 0.657E-02
RMM: 7 -0.107556766967E+04 0.16956E-03 -0.25962E-04 2350 0.144E-02 0.332E-02
RMM: 8 -0.107556767328E+04 -0.36065E-05 -0.57468E-04 2533 0.161E-02
73 T= 888. E= -.10761066E+04 F= -.10755677E+04 E0= -.10755499E+04 EK= 0.17796E+02 SP= -.18E+02 SK= 0.24E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107564832480E+04 -0.80655E-01 -0.21231E+00 4031 0.156E+00 0.410E-01
RMM: 2 -0.107566460108E+04 -0.16276E-01 -0.18334E-01 4098 0.405E-01 0.355E-01
RMM: 3 -0.107566827419E+04 -0.36731E-02 -0.49668E-02 4269 0.167E-01 0.361E-01
RMM: 4 -0.107566720859E+04 0.10656E-02 -0.45084E-03 3627 0.546E-02 0.295E-01
RMM: 5 -0.107566731533E+04 -0.10673E-03 -0.18791E-02 3088 0.725E-02 0.116E-01
RMM: 6 -0.107566731745E+04 -0.21211E-05 -0.26780E-03 3165 0.408E-02 0.114E-01
RMM: 7 -0.107566699655E+04 0.32090E-03 -0.41556E-04 2626 0.169E-02 0.901E-02
RMM: 8 -0.107566673625E+04 0.26030E-03 -0.24019E-03 2780 0.261E-02 0.247E-02
RMM: 9 -0.107566682415E+04 -0.87900E-04 -0.85519E-04 2808 0.187E-02
74 T= 898. E= -.10761086E+04 F= -.10756668E+04 E0= -.10756489E+04 EK= 0.17998E+02 SP= -.18E+02 SK= 0.17E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107476657663E+04 0.90016E+00 -0.20887E+00 4074 0.162E+00 0.359E-01
RMM: 2 -0.107477926147E+04 -0.12685E-01 -0.14718E-01 4098 0.403E-01 0.282E-01
RMM: 3 -0.107478298553E+04 -0.37241E-02 -0.44007E-02 4255 0.168E-01 0.229E-01
RMM: 4 -0.107478286897E+04 0.11656E-03 -0.58157E-03 3720 0.620E-02 0.164E-01
RMM: 5 -0.107478255893E+04 0.31005E-03 -0.25235E-03 3191 0.381E-02 0.510E-02
RMM: 6 -0.107478265721E+04 -0.98285E-04 -0.78631E-04 3116 0.219E-02
75 T= 856. E= -.10760546E+04 F= -.10747827E+04 E0= -.10747646E+04 EK= 0.17152E+02 SP= -.18E+02 SK= 0.38E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107360100497E+04 0.11816E+01 -0.17962E+00 4097 0.152E+00 0.309E-01
RMM: 2 -0.107361248431E+04 -0.11479E-01 -0.13324E-01 4136 0.397E-01 0.217E-01
RMM: 3 -0.107361689019E+04 -0.44059E-02 -0.44272E-02 4361 0.169E-01 0.188E-01
RMM: 4 -0.107361675044E+04 0.13975E-03 -0.50428E-03 3725 0.590E-02 0.145E-01
RMM: 5 -0.107361668406E+04 0.66375E-04 -0.29237E-03 3227 0.395E-02 0.649E-02
RMM: 6 -0.107361678756E+04 -0.10350E-03 -0.91380E-04 3142 0.242E-02 0.565E-02
RMM: 7 -0.107361670718E+04 0.80389E-04 -0.18650E-04 2125 0.131E-02
76 T= 796. E= -.10759979E+04 F= -.10736167E+04 E0= -.10735986E+04 EK= 0.15939E+02 SP= -.18E+02 SK= 0.18E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107291486267E+04 0.70192E+00 -0.19040E+00 4061 0.155E+00 0.367E-01
RMM: 2 -0.107292847644E+04 -0.13614E-01 -0.15183E-01 4144 0.401E-01 0.295E-01
RMM: 3 -0.107293270085E+04 -0.42244E-02 -0.45814E-02 4353 0.166E-01 0.257E-01
RMM: 4 -0.107293239479E+04 0.30606E-03 -0.51586E-03 3723 0.596E-02 0.185E-01
RMM: 5 -0.107293239598E+04 -0.11926E-05 -0.57233E-03 3203 0.504E-02 0.741E-02
RMM: 6 -0.107293231331E+04 0.82673E-04 -0.74331E-04 2913 0.254E-02
77 T= 755. E= -.10759754E+04 F= -.10729323E+04 E0= -.10729141E+04 EK= 0.15129E+02 SP= -.18E+02 SK= 0.32E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107300509642E+04 -0.72700E-01 -0.12759E+00 4041 0.129E+00 0.286E-01
RMM: 2 -0.107301677477E+04 -0.11678E-01 -0.12983E-01 4192 0.359E-01 0.230E-01
RMM: 3 -0.107301961710E+04 -0.28423E-02 -0.34998E-02 4359 0.147E-01 0.237E-01
RMM: 4 -0.107301918781E+04 0.42929E-03 -0.32850E-03 3684 0.486E-02 0.191E-01
RMM: 5 -0.107301929057E+04 -0.10276E-03 -0.67967E-03 3116 0.523E-02 0.825E-02
RMM: 6 -0.107301941627E+04 -0.12571E-03 -0.16551E-03 3275 0.305E-02 0.881E-02
RMM: 7 -0.107301922213E+04 0.19415E-03 -0.23494E-04 2207 0.141E-02 0.633E-02
RMM: 8 -0.107301911774E+04 0.10439E-03 -0.13129E-03 2826 0.231E-02 0.219E-02
RMM: 9 -0.107301912898E+04 -0.11239E-04 -0.16563E-04 2029 0.126E-02
78 T= 750. E= -.10760020E+04 F= -.10730191E+04 E0= -.10730008E+04 EK= 0.15017E+02 SP= -.18E+02 SK= 0.43E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107348854073E+04 -0.46942E+00 -0.12582E+00 4033 0.125E+00 0.293E-01
RMM: 2 -0.107349997890E+04 -0.11438E-01 -0.12507E-01 4097 0.344E-01 0.255E-01
RMM: 3 -0.107350241511E+04 -0.24362E-02 -0.32448E-02 4219 0.142E-01 0.257E-01
RMM: 4 -0.107350197973E+04 0.43538E-03 -0.32582E-03 3559 0.472E-02 0.207E-01
RMM: 5 -0.107350187232E+04 0.10741E-03 -0.59623E-03 3024 0.468E-02 0.620E-02
RMM: 6 -0.107350202365E+04 -0.15133E-03 -0.14911E-03 3254 0.280E-02 0.725E-02
RMM: 7 -0.107350187510E+04 0.14855E-03 -0.16441E-04 2028 0.122E-02 0.548E-02
RMM: 8 -0.107350180296E+04 0.72143E-04 -0.14354E-03 2742 0.221E-02 0.258E-02
RMM: 9 -0.107350179217E+04 0.10791E-04 -0.16065E-04 2018 0.122E-02
79 T= 762. E= -.10760427E+04 F= -.10735018E+04 E0= -.10734834E+04 EK= 0.15261E+02 SP= -.18E+02 SK= 0.57E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107375274200E+04 -0.25094E+00 -0.16415E+00 4045 0.144E+00 0.303E-01
RMM: 2 -0.107376452258E+04 -0.11781E-01 -0.13470E-01 4106 0.357E-01 0.263E-01
RMM: 3 -0.107376706601E+04 -0.25434E-02 -0.34053E-02 4171 0.143E-01 0.230E-01
RMM: 4 -0.107376724146E+04 -0.17545E-03 -0.49058E-03 3619 0.547E-02 0.176E-01
RMM: 5 -0.107376688552E+04 0.35595E-03 -0.41791E-03 3165 0.430E-02 0.671E-02
RMM: 6 -0.107376693687E+04 -0.51354E-04 -0.89757E-04 3123 0.234E-02
80 T= 762. E= -.10760797E+04 F= -.10737669E+04 E0= -.10737485E+04 EK= 0.15259E+02 SP= -.18E+02 SK= 0.74E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107334478811E+04 0.42210E+00 -0.17180E+00 4062 0.148E+00 0.309E-01
RMM: 2 -0.107335841774E+04 -0.13630E-01 -0.14825E-01 4162 0.377E-01 0.249E-01
RMM: 3 -0.107336172054E+04 -0.33028E-02 -0.38703E-02 4298 0.153E-01 0.248E-01
RMM: 4 -0.107336131705E+04 0.40349E-03 -0.39997E-03 3686 0.514E-02 0.196E-01
RMM: 5 -0.107336137782E+04 -0.60779E-04 -0.70117E-03 3155 0.523E-02 0.724E-02
RMM: 6 -0.107336142286E+04 -0.45031E-04 -0.11751E-03 3079 0.285E-02 0.715E-02
RMM: 7 -0.107336129911E+04 0.12375E-03 -0.20029E-04 2197 0.133E-02 0.572E-02
RMM: 8 -0.107336120550E+04 0.93615E-04 -0.13021E-03 2814 0.218E-02 0.200E-02
RMM: 9 -0.107336120017E+04 0.53238E-05 -0.14939E-04 1908 0.115E-02
81 T= 729. E= -.10760677E+04 F= -.10733612E+04 E0= -.10733427E+04 EK= 0.14609E+02 SP= -.17E+02 SK= 0.89E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107255705853E+04 0.80415E+00 -0.22599E+00 4057 0.168E+00 0.362E-01
RMM: 2 -0.107257207191E+04 -0.15013E-01 -0.17424E-01 4139 0.444E-01 0.296E-01
RMM: 3 -0.107257635725E+04 -0.42853E-02 -0.51502E-02 4347 0.185E-01 0.291E-01
RMM: 4 -0.107257562366E+04 0.73359E-03 -0.63556E-03 3734 0.656E-02 0.200E-01
RMM: 5 -0.107257556499E+04 0.58668E-04 -0.46969E-03 3125 0.471E-02 0.517E-02
RMM: 6 -0.107257565244E+04 -0.87444E-04 -0.10021E-03 3179 0.255E-02 0.521E-02
RMM: 7 -0.107257555963E+04 0.92804E-04 -0.17030E-04 2033 0.130E-02
82 T= 681. E= -.10759931E+04 F= -.10725756E+04 E0= -.10725570E+04 EK= 0.13642E+02 SP= -.17E+02 SK= 0.89E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107244138851E+04 0.13426E+00 -0.28513E+00 4057 0.184E+00 0.503E-01
RMM: 2 -0.107245679555E+04 -0.15407E-01 -0.21384E-01 4082 0.474E-01 0.399E-01
RMM: 3 -0.107246003255E+04 -0.32370E-02 -0.60199E-02 4314 0.202E-01 0.253E-01
RMM: 4 -0.107246105662E+04 -0.10241E-02 -0.12832E-02 3832 0.850E-02 0.198E-01
RMM: 5 -0.107245986292E+04 0.11937E-02 -0.18740E-03 3260 0.375E-02 0.102E-01
RMM: 6 -0.107245995883E+04 -0.95914E-04 -0.83586E-04 3153 0.233E-02
83 T= 665. E= -.10759720E+04 F= -.10724600E+04 E0= -.10724415E+04 EK= 0.13315E+02 SP= -.17E+02 SK= 0.79E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107326807633E+04 -0.80821E+00 -0.18589E+00 4053 0.148E+00 0.418E-01
RMM: 2 -0.107328122230E+04 -0.13146E-01 -0.16219E-01 4042 0.404E-01 0.342E-01
RMM: 3 -0.107328493513E+04 -0.37128E-02 -0.48241E-02 4317 0.173E-01 0.332E-01
RMM: 4 -0.107328374179E+04 0.11933E-02 -0.62303E-03 3522 0.623E-02 0.215E-01
RMM: 5 -0.107328380292E+04 -0.61128E-04 -0.37604E-03 3166 0.422E-02 0.622E-02
RMM: 6 -0.107328392382E+04 -0.12090E-03 -0.97026E-04 3146 0.239E-02 0.565E-02
RMM: 7 -0.107328379571E+04 0.12811E-03 -0.18051E-04 2110 0.133E-02 0.285E-02
RMM: 8 -0.107328379675E+04 -0.10387E-05 -0.33383E-04 2387 0.150E-02
84 T= 691. E= -.10760575E+04 F= -.10732838E+04 E0= -.10732652E+04 EK= 0.13836E+02 SP= -.17E+02 SK= 0.71E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107391860306E+04 -0.63481E+00 -0.19335E+00 3992 0.154E+00 0.365E-01
RMM: 2 -0.107393155665E+04 -0.12954E-01 -0.15295E-01 4005 0.392E-01 0.315E-01
RMM: 3 -0.107393443951E+04 -0.28829E-02 -0.40234E-02 4206 0.159E-01 0.315E-01
RMM: 4 -0.107393366067E+04 0.77884E-03 -0.45647E-03 3528 0.528E-02 0.248E-01
RMM: 5 -0.107393351147E+04 0.14920E-03 -0.85369E-03 3052 0.540E-02 0.751E-02
RMM: 6 -0.107393365677E+04 -0.14529E-03 -0.18812E-03 3328 0.323E-02 0.839E-02
RMM: 7 -0.107393346497E+04 0.19180E-03 -0.20251E-04 2129 0.131E-02 0.649E-02
RMM: 8 -0.107393336156E+04 0.10341E-03 -0.16224E-03 2762 0.231E-02 0.245E-02
RMM: 9 -0.107393337331E+04 -0.11744E-04 -0.24258E-04 2278 0.137E-02
85 T= 710. E= -.10761007E+04 F= -.10739334E+04 E0= -.10739147E+04 EK= 0.14225E+02 SP= -.16E+02 SK= 0.70E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107372879477E+04 0.20457E+00 -0.21188E+00 3967 0.159E+00 0.382E-01
RMM: 2 -0.107374154310E+04 -0.12748E-01 -0.15748E-01 4058 0.394E-01 0.330E-01
RMM: 3 -0.107374425415E+04 -0.27110E-02 -0.38283E-02 4144 0.154E-01 0.292E-01
RMM: 4 -0.107374423225E+04 0.21898E-04 -0.53124E-03 3529 0.573E-02 0.224E-01
RMM: 5 -0.107374396655E+04 0.26570E-03 -0.91292E-03 3152 0.568E-02 0.107E-01
RMM: 6 -0.107374385992E+04 0.10664E-03 -0.11485E-03 3022 0.294E-02 0.912E-02
RMM: 7 -0.107374364124E+04 0.21868E-03 -0.37941E-04 2581 0.156E-02 0.627E-02
RMM: 8 -0.107374365657E+04 -0.15332E-04 -0.27472E-03 2792 0.278E-02 0.532E-02
RMM: 9 -0.107374354857E+04 0.10800E-03 -0.31928E-04 2140 0.146E-02 0.182E-02
RMM: 10 -0.107374354558E+04 0.29932E-05 -0.18958E-04 1896 0.967E-03
86 T= 691. E= -.10760729E+04 F= -.10737435E+04 E0= -.10737249E+04 EK= 0.13842E+02 SP= -.16E+02 SK= 0.69E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107303031853E+04 0.71323E+00 -0.16402E+00 3977 0.142E+00 0.263E-01
RMM: 2 -0.107304133954E+04 -0.11021E-01 -0.12509E-01 4075 0.369E-01 0.212E-01
RMM: 3 -0.107304444731E+04 -0.31078E-02 -0.34440E-02 4211 0.146E-01 0.196E-01
RMM: 4 -0.107304435021E+04 0.97106E-04 -0.40664E-03 3457 0.533E-02 0.126E-01
RMM: 5 -0.107304466427E+04 -0.31406E-03 -0.37035E-03 3129 0.414E-02 0.910E-02
RMM: 6 -0.107304448690E+04 0.17736E-03 -0.78811E-04 3130 0.228E-02 0.792E-02
RMM: 7 -0.107304428560E+04 0.20130E-03 -0.49162E-04 2586 0.160E-02 0.346E-02
RMM: 8 -0.107304430999E+04 -0.24394E-04 -0.89700E-04 2638 0.181E-02
87 T= 648. E= -.10760255E+04 F= -.10730443E+04 E0= -.10730256E+04 EK= 0.12984E+02 SP= -.16E+02 SK= 0.59E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107249044423E+04 0.55384E+00 -0.16236E+00 3965 0.141E+00 0.297E-01
RMM: 2 -0.107250136439E+04 -0.10920E-01 -0.12697E-01 4040 0.366E-01 0.251E-01
RMM: 3 -0.107250389523E+04 -0.25308E-02 -0.31443E-02 4177 0.145E-01 0.210E-01
RMM: 4 -0.107250441313E+04 -0.51790E-03 -0.55986E-03 3528 0.577E-02 0.145E-01
RMM: 5 -0.107250394252E+04 0.47061E-03 -0.29638E-03 3107 0.399E-02 0.609E-02
RMM: 6 -0.107250386651E+04 0.76015E-04 -0.48231E-04 2849 0.199E-02
88 T= 614. E= -.10759881E+04 F= -.10725039E+04 E0= -.10724852E+04 EK= 0.12311E+02 SP= -.16E+02 SK= 0.40E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107260699666E+04 -0.10305E+00 -0.14017E+00 4007 0.127E+00 0.302E-01
RMM: 2 -0.107261761730E+04 -0.10621E-01 -0.12182E-01 4064 0.340E-01 0.259E-01
RMM: 3 -0.107262030274E+04 -0.26854E-02 -0.34097E-02 4237 0.140E-01 0.265E-01
RMM: 4 -0.107261985970E+04 0.44304E-03 -0.35363E-03 3519 0.463E-02 0.214E-01
RMM: 5 -0.107261978581E+04 0.73894E-04 -0.66355E-03 3055 0.478E-02 0.729E-02
RMM: 6 -0.107261993508E+04 -0.14928E-03 -0.18412E-03 3292 0.298E-02 0.843E-02
RMM: 7 -0.107261976114E+04 0.17394E-03 -0.17034E-04 2074 0.123E-02 0.656E-02
RMM: 8 -0.107261962796E+04 0.13318E-03 -0.10400E-03 2672 0.192E-02 0.187E-02
RMM: 9 -0.107261967976E+04 -0.51797E-04 -0.53953E-04 2589 0.152E-02
89 T= 613. E= -.10760013E+04 F= -.10726197E+04 E0= -.10726010E+04 EK= 0.12287E+02 SP= -.16E+02 SK= 0.22E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107319990465E+04 -0.58028E+00 -0.11383E+00 3991 0.118E+00 0.237E-01
RMM: 2 -0.107320848674E+04 -0.85821E-02 -0.92702E-02 3985 0.297E-01 0.187E-01
RMM: 3 -0.107321078866E+04 -0.23019E-02 -0.26374E-02 4118 0.125E-01 0.184E-01
RMM: 4 -0.107321067466E+04 0.11400E-03 -0.35016E-03 3488 0.449E-02 0.134E-01
RMM: 5 -0.107321069742E+04 -0.22758E-04 -0.16826E-03 2966 0.302E-02 0.436E-02
RMM: 6 -0.107321074623E+04 -0.48807E-04 -0.65646E-04 3066 0.198E-02
90 T= 636. E= -.10760475E+04 F= -.10732107E+04 E0= -.10731921E+04 EK= 0.12742E+02 SP= -.16E+02 SK= 0.10E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107364996570E+04 -0.43927E+00 -0.15121E+00 4009 0.137E+00 0.306E-01
RMM: 2 -0.107365964173E+04 -0.96760E-02 -0.11220E-01 4044 0.320E-01 0.233E-01
RMM: 3 -0.107366221960E+04 -0.25779E-02 -0.29724E-02 4067 0.131E-01 0.188E-01
RMM: 4 -0.107366230136E+04 -0.81757E-04 -0.42605E-03 3581 0.501E-02 0.142E-01
RMM: 5 -0.107366209102E+04 0.21034E-03 -0.20285E-03 3065 0.334E-02 0.457E-02
RMM: 6 -0.107366214134E+04 -0.50319E-04 -0.63535E-04 3121 0.197E-02
91 T= 654. E= -.10760719E+04 F= -.10736621E+04 E0= -.10736435E+04 EK= 0.13107E+02 SP= -.16E+02 SK= 0.44E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107361931181E+04 0.42779E-01 -0.16985E+00 3900 0.141E+00 0.367E-01
RMM: 2 -0.107362977214E+04 -0.10460E-01 -0.13889E-01 4074 0.361E-01 0.288E-01
RMM: 3 -0.107363198549E+04 -0.22134E-02 -0.30384E-02 4135 0.138E-01 0.238E-01
RMM: 4 -0.107363159244E+04 0.39305E-03 -0.50865E-03 3560 0.554E-02 0.162E-01
RMM: 5 -0.107363134834E+04 0.24410E-03 -0.22349E-03 3100 0.347E-02 0.501E-02
RMM: 6 -0.107363146083E+04 -0.11249E-03 -0.76299E-04 3226 0.211E-02 0.473E-02
RMM: 7 -0.107363136885E+04 0.91979E-04 -0.13037E-04 1979 0.113E-02
92 T= 650. E= -.10760839E+04 F= -.10736314E+04 E0= -.10736127E+04 EK= 0.13024E+02 SP= -.15E+02 SK= 0.13E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107304239715E+04 0.58906E+00 -0.16750E+00 3908 0.145E+00 0.293E-01
RMM: 2 -0.107305343598E+04 -0.11039E-01 -0.13418E-01 4064 0.380E-01 0.248E-01
RMM: 3 -0.107305586630E+04 -0.24303E-02 -0.30713E-02 4145 0.144E-01 0.226E-01
RMM: 4 -0.107305574918E+04 0.11713E-03 -0.49252E-03 3626 0.540E-02 0.172E-01
RMM: 5 -0.107305558703E+04 0.16215E-03 -0.27725E-03 3122 0.392E-02 0.414E-02
RMM: 6 -0.107305566651E+04 -0.79478E-04 -0.80098E-04 3255 0.222E-02
93 T= 622. E= -.10760553E+04 F= -.10730557E+04 E0= -.10730370E+04 EK= 0.12461E+02 SP= -.15E+02 SK= 0.11E-04
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107245831922E+04 0.59727E+00 -0.23879E+00 3793 0.161E+00 0.464E-01
RMM: 2 -0.107247052451E+04 -0.12205E-01 -0.19171E-01 4075 0.455E-01 0.367E-01
RMM: 3 -0.107247246558E+04 -0.19411E-02 -0.40557E-02 4206 0.170E-01 0.253E-01
RMM: 4 -0.107247360805E+04 -0.11425E-02 -0.10164E-02 3758 0.769E-02 0.197E-01
RMM: 5 -0.107247227783E+04 0.13302E-02 -0.19435E-03 3242 0.376E-02 0.812E-02
RMM: 6 -0.107247233643E+04 -0.58601E-04 -0.59224E-04 3115 0.202E-02
94 T= 597. E= -.10759909E+04 F= -.10724723E+04 E0= -.10724535E+04 EK= 0.11962E+02 SP= -.15E+02 SK= 0.34E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107273124242E+04 -0.25896E+00 -0.22079E+00 3948 0.153E+00 0.477E-01
RMM: 2 -0.107274618827E+04 -0.14946E-01 -0.18919E-01 4073 0.417E-01 0.411E-01
RMM: 3 -0.107274863967E+04 -0.24514E-02 -0.47030E-02 4276 0.166E-01 0.389E-01
RMM: 4 -0.107274722293E+04 0.14167E-02 -0.68873E-03 3453 0.631E-02 0.244E-01
RMM: 5 -0.107274747078E+04 -0.24786E-03 -0.60761E-03 3119 0.505E-02 0.779E-02
RMM: 6 -0.107274739586E+04 0.74928E-04 -0.11509E-03 3279 0.275E-02 0.674E-02
RMM: 7 -0.107274726302E+04 0.13284E-03 -0.33276E-04 2512 0.150E-02 0.289E-02
RMM: 8 -0.107274727164E+04 -0.86207E-05 -0.39930E-04 2471 0.142E-02
95 T= 612. E= -.10760224E+04 F= -.10727473E+04 E0= -.10727284E+04 EK= 0.12270E+02 SP= -.16E+02 SK= 0.14E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107348919575E+04 -0.74193E+00 -0.15039E+00 3985 0.126E+00 0.425E-01
RMM: 2 -0.107349983322E+04 -0.10637E-01 -0.13108E-01 4056 0.334E-01 0.357E-01
RMM: 3 -0.107350180406E+04 -0.19708E-02 -0.36709E-02 4194 0.140E-01 0.343E-01
RMM: 4 -0.107350034563E+04 0.14584E-02 -0.57401E-03 3282 0.562E-02 0.177E-01
RMM: 5 -0.107350058967E+04 -0.24404E-03 -0.33468E-03 3141 0.387E-02 0.699E-02
RMM: 6 -0.107350055134E+04 0.38334E-04 -0.60571E-04 2895 0.204E-02
96 T= 652. E= -.10760930E+04 F= -.10735006E+04 E0= -.10734815E+04 EK= 0.13061E+02 SP= -.16E+02 SK= 0.25E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107372710784E+04 -0.22652E+00 -0.16987E+00 3951 0.133E+00 0.416E-01
RMM: 2 -0.107373839019E+04 -0.11282E-01 -0.14714E-01 4044 0.356E-01 0.350E-01
RMM: 3 -0.107373987435E+04 -0.14842E-02 -0.32437E-02 4056 0.138E-01 0.255E-01
RMM: 4 -0.107374116642E+04 -0.12921E-02 -0.86012E-03 3447 0.645E-02 0.183E-01
RMM: 5 -0.107373971862E+04 0.14478E-02 -0.29986E-03 3276 0.394E-02 0.717E-02
RMM: 6 -0.107373965662E+04 0.62007E-04 -0.51292E-04 2807 0.181E-02
97 T= 670. E= -.10761018E+04 F= -.10737397E+04 E0= -.10737206E+04 EK= 0.13428E+02 SP= -.16E+02 SK= 0.34E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107326257282E+04 0.47715E+00 -0.17368E+00 3860 0.138E+00 0.327E-01
RMM: 2 -0.107327552375E+04 -0.12951E-01 -0.14811E-01 4111 0.386E-01 0.307E-01
RMM: 3 -0.107327730887E+04 -0.17851E-02 -0.35850E-02 4245 0.150E-01 0.302E-01
RMM: 4 -0.107327700399E+04 0.30488E-03 -0.42691E-03 3611 0.506E-02 0.271E-01
RMM: 5 -0.107327667980E+04 0.32419E-03 -0.10519E-02 3145 0.595E-02 0.902E-02
RMM: 6 -0.107327697171E+04 -0.29191E-03 -0.30708E-03 3383 0.383E-02 0.117E-01
RMM: 7 -0.107327662244E+04 0.34927E-03 -0.25253E-04 2392 0.151E-02 0.917E-02
RMM: 8 -0.107327638587E+04 0.23658E-03 -0.30515E-03 2838 0.292E-02 0.236E-02
RMM: 9 -0.107327638079E+04 0.50720E-05 -0.26618E-04 2209 0.154E-02
98 T= 657. E= -.10760561E+04 F= -.10732764E+04 E0= -.10732571E+04 EK= 0.13163E+02 SP= -.16E+02 SK= 0.43E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107270868983E+04 0.56770E+00 -0.18477E+00 3830 0.145E+00 0.353E-01
RMM: 2 -0.107272149409E+04 -0.12804E-01 -0.15253E-01 4144 0.409E-01 0.322E-01
RMM: 3 -0.107272302320E+04 -0.15291E-02 -0.35639E-02 4272 0.158E-01 0.308E-01
RMM: 4 -0.107272262860E+04 0.39459E-03 -0.50477E-03 3739 0.551E-02 0.249E-01
RMM: 5 -0.107272254965E+04 0.78952E-04 -0.55152E-03 3132 0.484E-02 0.737E-02
RMM: 6 -0.107272261548E+04 -0.65829E-04 -0.16719E-03 3337 0.299E-02 0.696E-02
RMM: 7 -0.107272242151E+04 0.19397E-03 -0.18988E-04 2171 0.135E-02 0.410E-02
RMM: 8 -0.107272241604E+04 0.54775E-05 -0.10509E-03 2708 0.196E-02 0.263E-02
RMM: 9 -0.107272238950E+04 0.26536E-04 -0.12462E-04 1860 0.107E-02
99 T= 640. E= -.10760118E+04 F= -.10727224E+04 E0= -.10727030E+04 EK= 0.12823E+02 SP= -.16E+02 SK= 0.57E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107267240254E+04 0.50013E-01 -0.15186E+00 4011 0.134E+00 0.315E-01
RMM: 2 -0.107268311585E+04 -0.10713E-01 -0.12221E-01 4052 0.357E-01 0.244E-01
RMM: 3 -0.107268616523E+04 -0.30494E-02 -0.33564E-02 4207 0.146E-01 0.223E-01
RMM: 4 -0.107268582055E+04 0.34468E-03 -0.45886E-03 3588 0.531E-02 0.154E-01
RMM: 5 -0.107268586976E+04 -0.49207E-04 -0.23705E-03 3154 0.360E-02 0.446E-02
RMM: 6 -0.107268594273E+04 -0.72970E-04 -0.72833E-04 3154 0.210E-02
100 T= 648. E= -.10760176E+04 F= -.10726859E+04 E0= -.10726664E+04 EK= 0.12978E+02 SP= -.16E+02 SK= 0.75E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107314231397E+04 -0.45644E+00 -0.13324E+00 3990 0.121E+00 0.316E-01
RMM: 2 -0.107315160978E+04 -0.92958E-02 -0.11548E-01 4032 0.328E-01 0.245E-01
RMM: 3 -0.107315381497E+04 -0.22052E-02 -0.28465E-02 4131 0.131E-01 0.165E-01
RMM: 4 -0.107315459340E+04 -0.77843E-03 -0.48209E-03 3562 0.521E-02 0.126E-01
RMM: 5 -0.107315398371E+04 0.60970E-03 -0.12773E-03 3184 0.280E-02 0.482E-02
RMM: 6 -0.107315400290E+04 -0.19189E-04 -0.31309E-04 2524 0.156E-02
101 T= 681. E= -.10760413E+04 F= -.10731540E+04 E0= -.10731343E+04 EK= 0.13652E+02 SP= -.17E+02 SK= 0.88E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107377492101E+04 -0.62094E+00 -0.15332E+00 3966 0.128E+00 0.369E-01
RMM: 2 -0.107378700263E+04 -0.12082E-01 -0.14706E-01 4056 0.346E-01 0.312E-01
RMM: 3 -0.107378913563E+04 -0.21330E-02 -0.32524E-02 4166 0.135E-01 0.256E-01
RMM: 4 -0.107378921855E+04 -0.82920E-04 -0.52702E-03 3496 0.550E-02 0.181E-01
RMM: 5 -0.107378874921E+04 0.46933E-03 -0.40031E-03 3114 0.422E-02 0.669E-02
RMM: 6 -0.107378874196E+04 0.72478E-05 -0.69198E-04 3104 0.219E-02
102 T= 724. E= -.10760851E+04 F= -.10737887E+04 E0= -.10737689E+04 EK= 0.14496E+02 SP= -.17E+02 SK= 0.89E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107398705612E+04 -0.19831E+00 -0.14785E+00 3940 0.133E+00 0.286E-01
RMM: 2 -0.107400030498E+04 -0.13249E-01 -0.14710E-01 4074 0.347E-01 0.260E-01
RMM: 3 -0.107400241261E+04 -0.21076E-02 -0.30622E-02 4195 0.131E-01 0.256E-01
RMM: 4 -0.107400218052E+04 0.23209E-03 -0.37042E-03 3533 0.449E-02 0.224E-01
RMM: 5 -0.107400210907E+04 0.71455E-04 -0.81896E-03 3134 0.526E-02 0.852E-02
RMM: 6 -0.107400235572E+04 -0.24665E-03 -0.25808E-03 3323 0.346E-02 0.106E-01
RMM: 7 -0.107400207968E+04 0.27604E-03 -0.25016E-04 2367 0.141E-02 0.810E-02
RMM: 8 -0.107400187201E+04 0.20767E-03 -0.13324E-03 2660 0.210E-02 0.207E-02
RMM: 9 -0.107400194147E+04 -0.69460E-04 -0.79366E-04 2595 0.176E-02
103 T= 745. E= -.10761136E+04 F= -.10740019E+04 E0= -.10739819E+04 EK= 0.14935E+02 SP= -.17E+02 SK= 0.78E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107343084920E+04 0.57102E+00 -0.17709E+00 3813 0.144E+00 0.324E-01
RMM: 2 -0.107344379452E+04 -0.12945E-01 -0.15641E-01 4048 0.389E-01 0.276E-01
RMM: 3 -0.107344651482E+04 -0.27203E-02 -0.35815E-02 4222 0.146E-01 0.260E-01
RMM: 4 -0.107344622325E+04 0.29157E-03 -0.53027E-03 3703 0.541E-02 0.202E-01
RMM: 5 -0.107344608925E+04 0.13400E-03 -0.29919E-03 3178 0.392E-02 0.549E-02
RMM: 6 -0.107344620690E+04 -0.11765E-03 -0.97208E-04 3231 0.238E-02 0.519E-02
RMM: 7 -0.107344610848E+04 0.98425E-04 -0.15361E-04 2035 0.123E-02
104 T= 731. E= -.10760783E+04 F= -.10734461E+04 E0= -.10734258E+04 EK= 0.14648E+02 SP= -.17E+02 SK= 0.67E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107263859643E+04 0.80761E+00 -0.22870E+00 3771 0.158E+00 0.408E-01
RMM: 2 -0.107265355020E+04 -0.14954E-01 -0.20769E-01 4081 0.455E-01 0.359E-01
RMM: 3 -0.107265617070E+04 -0.26205E-02 -0.41117E-02 4242 0.162E-01 0.302E-01
RMM: 4 -0.107265693150E+04 -0.76080E-03 -0.93992E-03 3740 0.694E-02 0.232E-01
RMM: 5 -0.107265587430E+04 0.10572E-02 -0.35407E-03 3221 0.449E-02 0.688E-02
RMM: 6 -0.107265590753E+04 -0.33234E-04 -0.90535E-04 3301 0.236E-02
105 T= 705. E= -.10760211E+04 F= -.10726559E+04 E0= -.10726353E+04 EK= 0.14128E+02 SP= -.18E+02 SK= 0.62E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107242683373E+04 0.22904E+00 -0.23033E+00 3859 0.161E+00 0.421E-01
RMM: 2 -0.107244416433E+04 -0.17331E-01 -0.22037E-01 4081 0.451E-01 0.375E-01
RMM: 3 -0.107244708770E+04 -0.29234E-02 -0.44218E-02 4301 0.165E-01 0.324E-01
RMM: 4 -0.107244767561E+04 -0.58791E-03 -0.92330E-03 3662 0.707E-02 0.223E-01
RMM: 5 -0.107244710065E+04 0.57496E-03 -0.61994E-03 3202 0.543E-02 0.989E-02
RMM: 6 -0.107244683762E+04 0.26303E-03 -0.95040E-04 3084 0.276E-02 0.702E-02
RMM: 7 -0.107244673957E+04 0.98054E-04 -0.42649E-04 2723 0.170E-02
106 T= 705. E= -.10760286E+04 F= -.10724467E+04 E0= -.10724260E+04 EK= 0.14119E+02 SP= -.18E+02 SK= 0.62E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107276591685E+04 -0.31908E+00 -0.19683E+00 3953 0.144E+00 0.444E-01
RMM: 2 -0.107278082167E+04 -0.14905E-01 -0.18704E-01 4039 0.401E-01 0.400E-01
RMM: 3 -0.107278331606E+04 -0.24944E-02 -0.42731E-02 4252 0.157E-01 0.377E-01
RMM: 4 -0.107278219729E+04 0.11188E-02 -0.57819E-03 3465 0.577E-02 0.270E-01
RMM: 5 -0.107278236669E+04 -0.16940E-03 -0.94116E-03 3201 0.576E-02 0.923E-02
RMM: 6 -0.107278209487E+04 0.27182E-03 -0.12212E-03 3010 0.306E-02 0.667E-02
RMM: 7 -0.107278201890E+04 0.75965E-04 -0.37287E-04 2658 0.154E-02
107 T= 730. E= -.10760745E+04 F= -.10727820E+04 E0= -.10727609E+04 EK= 0.14619E+02 SP= -.18E+02 SK= 0.58E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107299226489E+04 -0.21017E+00 -0.19941E+00 3944 0.146E+00 0.437E-01
RMM: 2 -0.107300650847E+04 -0.14244E-01 -0.17422E-01 3989 0.393E-01 0.373E-01
RMM: 3 -0.107300939002E+04 -0.28816E-02 -0.45137E-02 4278 0.161E-01 0.355E-01
RMM: 4 -0.107300783329E+04 0.15567E-02 -0.62505E-03 3441 0.595E-02 0.229E-01
RMM: 5 -0.107300796606E+04 -0.13277E-03 -0.76083E-03 3179 0.516E-02 0.809E-02
RMM: 6 -0.107300786662E+04 0.99441E-04 -0.10125E-03 3031 0.275E-02 0.626E-02
RMM: 7 -0.107300780204E+04 0.64579E-04 -0.38363E-04 2636 0.156E-02
108 T= 750. E= -.10761053E+04 F= -.10730078E+04 E0= -.10729865E+04 EK= 0.15017E+02 SP= -.18E+02 SK= 0.48E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107261018720E+04 0.39768E+00 -0.20240E+00 3909 0.154E+00 0.367E-01
RMM: 2 -0.107262498806E+04 -0.14801E-01 -0.16967E-01 3970 0.395E-01 0.312E-01
RMM: 3 -0.107262787234E+04 -0.28843E-02 -0.38504E-02 4309 0.154E-01 0.275E-01
RMM: 4 -0.107262775569E+04 0.11665E-03 -0.59662E-03 3644 0.572E-02 0.207E-01
RMM: 5 -0.107262753753E+04 0.21817E-03 -0.54144E-03 3213 0.478E-02 0.701E-02
RMM: 6 -0.107262749191E+04 0.45619E-04 -0.96394E-04 3093 0.260E-02
109 T= 740. E= -.10760941E+04 F= -.10726275E+04 E0= -.10726059E+04 EK= 0.14828E+02 SP= -.18E+02 SK= 0.37E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107174627945E+04 0.88126E+00 -0.19282E+00 3894 0.150E+00 0.346E-01
RMM: 2 -0.107176009354E+04 -0.13814E-01 -0.17367E-01 4097 0.405E-01 0.284E-01
RMM: 3 -0.107176336420E+04 -0.32707E-02 -0.40161E-02 4276 0.153E-01 0.259E-01
RMM: 4 -0.107176325866E+04 0.10554E-03 -0.56137E-03 3690 0.564E-02 0.211E-01
RMM: 5 -0.107176300989E+04 0.24876E-03 -0.42197E-03 3176 0.441E-02 0.763E-02
RMM: 6 -0.107176313675E+04 -0.12686E-03 -0.14083E-03 3157 0.266E-02 0.706E-02
RMM: 7 -0.107176299997E+04 0.13679E-03 -0.35349E-04 2463 0.152E-02 0.404E-02
RMM: 8 -0.107176298343E+04 0.16537E-04 -0.69322E-04 2646 0.168E-02
110 T= 708. E= -.10760361E+04 F= -.10717630E+04 E0= -.10717412E+04 EK= 0.14179E+02 SP= -.18E+02 SK= 0.33E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107118860627E+04 0.57439E+00 -0.21648E+00 3905 0.156E+00 0.399E-01
RMM: 2 -0.107120279105E+04 -0.14185E-01 -0.17706E-01 4053 0.418E-01 0.329E-01
RMM: 3 -0.107120602769E+04 -0.32366E-02 -0.42721E-02 4306 0.164E-01 0.293E-01
RMM: 4 -0.107120535007E+04 0.67762E-03 -0.62091E-03 3621 0.619E-02 0.200E-01
RMM: 5 -0.107120525020E+04 0.99866E-04 -0.48873E-03 3180 0.462E-02 0.625E-02
RMM: 6 -0.107120530852E+04 -0.58318E-04 -0.96260E-04 3164 0.254E-02
111 T= 689. E= -.10759929E+04 F= -.10712053E+04 E0= -.10711833E+04 EK= 0.13813E+02 SP= -.19E+02 SK= 0.34E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107149703434E+04 -0.29178E+00 -0.16398E+00 4008 0.138E+00 0.364E-01
RMM: 2 -0.107150856537E+04 -0.11531E-01 -0.14337E-01 4030 0.360E-01 0.266E-01
RMM: 3 -0.107151170459E+04 -0.31392E-02 -0.35783E-02 4314 0.151E-01 0.212E-01
RMM: 4 -0.107151140241E+04 0.30218E-03 -0.59316E-03 3690 0.584E-02 0.142E-01
RMM: 5 -0.107151129510E+04 0.10731E-03 -0.16603E-03 3196 0.325E-02 0.522E-02
RMM: 6 -0.107151140849E+04 -0.11340E-03 -0.64600E-04 2957 0.203E-02 0.392E-02
RMM: 7 -0.107151134310E+04 0.65392E-04 -0.11017E-04 1917 0.118E-02
112 T= 710. E= -.10760360E+04 F= -.10715113E+04 E0= -.10714889E+04 EK= 0.14231E+02 SP= -.19E+02 SK= 0.34E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107214804457E+04 -0.63664E+00 -0.12237E+00 3954 0.118E+00 0.317E-01
RMM: 2 -0.107215801127E+04 -0.99667E-02 -0.11761E-01 3920 0.316E-01 0.259E-01
RMM: 3 -0.107216002874E+04 -0.20175E-02 -0.26796E-02 4112 0.125E-01 0.213E-01
RMM: 4 -0.107216020538E+04 -0.17665E-03 -0.43212E-03 3548 0.490E-02 0.161E-01
RMM: 5 -0.107215988944E+04 0.31594E-03 -0.28384E-03 3069 0.358E-02 0.581E-02
RMM: 6 -0.107215993498E+04 -0.45534E-04 -0.72457E-04 3091 0.209E-02
113 T= 748. E= -.10760790E+04 F= -.10721599E+04 E0= -.10721372E+04 EK= 0.14995E+02 SP= -.19E+02 SK= 0.29E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107252346388E+04 -0.36357E+00 -0.15981E+00 3889 0.131E+00 0.363E-01
RMM: 2 -0.107253475839E+04 -0.11295E-01 -0.14458E-01 4001 0.353E-01 0.283E-01
RMM: 3 -0.107253713835E+04 -0.23800E-02 -0.32496E-02 4200 0.137E-01 0.238E-01
RMM: 4 -0.107253712101E+04 0.17346E-04 -0.52201E-03 3611 0.536E-02 0.187E-01
RMM: 5 -0.107253686480E+04 0.25621E-03 -0.49762E-03 3136 0.437E-02 0.732E-02
RMM: 6 -0.107253692751E+04 -0.62708E-04 -0.99902E-04 3141 0.253E-02
114 T= 774. E= -.10760945E+04 F= -.10725369E+04 E0= -.10725139E+04 EK= 0.15497E+02 SP= -.19E+02 SK= 0.18E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107243456243E+04 0.10230E+00 -0.16023E+00 3704 0.138E+00 0.304E-01
RMM: 2 -0.107244792137E+04 -0.13359E-01 -0.15988E-01 4103 0.393E-01 0.255E-01
RMM: 3 -0.107245047071E+04 -0.25493E-02 -0.31447E-02 4287 0.138E-01 0.235E-01
RMM: 4 -0.107245049418E+04 -0.23464E-04 -0.48990E-03 3780 0.524E-02 0.198E-01
RMM: 5 -0.107245039622E+04 0.97959E-04 -0.46934E-03 3175 0.449E-02 0.624E-02
RMM: 6 -0.107245050356E+04 -0.10734E-03 -0.11276E-03 3105 0.253E-02 0.676E-02
RMM: 7 -0.107245040262E+04 0.10093E-03 -0.15824E-04 2097 0.123E-02 0.514E-02
RMM: 8 -0.107245034000E+04 0.62626E-04 -0.10679E-03 2732 0.200E-02 0.190E-02
RMM: 9 -0.107245033618E+04 0.38171E-05 -0.11367E-04 1845 0.108E-02
115 T= 775. E= -.10760857E+04 F= -.10724503E+04 E0= -.10724270E+04 EK= 0.15525E+02 SP= -.19E+02 SK= 0.87E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107209507552E+04 0.35526E+00 -0.19436E+00 3797 0.147E+00 0.347E-01
RMM: 2 -0.107210947518E+04 -0.14400E-01 -0.18168E-01 4079 0.414E-01 0.318E-01
RMM: 3 -0.107211209868E+04 -0.26235E-02 -0.35949E-02 4241 0.148E-01 0.296E-01
RMM: 4 -0.107211215840E+04 -0.59722E-04 -0.60239E-03 3700 0.564E-02 0.245E-01
RMM: 5 -0.107211190685E+04 0.25155E-03 -0.62005E-03 3144 0.514E-02 0.716E-02
RMM: 6 -0.107211199557E+04 -0.88726E-04 -0.13037E-03 3241 0.279E-02 0.742E-02
RMM: 7 -0.107211183185E+04 0.16372E-03 -0.21057E-04 2165 0.129E-02 0.550E-02
RMM: 8 -0.107211177461E+04 0.57241E-04 -0.15024E-03 2818 0.230E-02 0.292E-02
RMM: 9 -0.107211174783E+04 0.26783E-04 -0.17086E-04 2006 0.121E-02
116 T= 763. E= -.10760490E+04 F= -.10721117E+04 E0= -.10720882E+04 EK= 0.15289E+02 SP= -.19E+02 SK= 0.29E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107202698503E+04 0.84790E-01 -0.22638E+00 3799 0.159E+00 0.424E-01
RMM: 2 -0.107204116397E+04 -0.14179E-01 -0.19976E-01 4032 0.439E-01 0.367E-01
RMM: 3 -0.107204332963E+04 -0.21657E-02 -0.39544E-02 4234 0.157E-01 0.287E-01
RMM: 4 -0.107204469842E+04 -0.13688E-02 -0.10354E-02 3569 0.721E-02 0.186E-01
RMM: 5 -0.107204337695E+04 0.13215E-02 -0.32765E-03 3347 0.417E-02 0.763E-02
RMM: 6 -0.107204332236E+04 0.54590E-04 -0.60729E-04 3042 0.205E-02
117 T= 761. E= -.10760472E+04 F= -.10720433E+04 E0= -.10720194E+04 EK= 0.15255E+02 SP= -.19E+02 SK= 0.36E-03
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107233801433E+04 -0.29464E+00 -0.21087E+00 3831 0.149E+00 0.396E-01
RMM: 2 -0.107235461835E+04 -0.16604E-01 -0.20268E-01 4097 0.429E-01 0.390E-01
RMM: 3 -0.107235642672E+04 -0.18084E-02 -0.42913E-02 4274 0.159E-01 0.381E-01
RMM: 4 -0.107235607304E+04 0.35369E-03 -0.58544E-03 3627 0.559E-02 0.352E-01
RMM: 5 -0.107235543341E+04 0.63963E-03 -0.72147E-03 3137 0.536E-02 0.132E-01
RMM: 6 -0.107235617085E+04 -0.73744E-03 -0.51588E-03 3169 0.453E-02 0.119E-01
RMM: 7 -0.107235562303E+04 0.54782E-03 -0.62510E-04 2907 0.223E-02 0.821E-02
RMM: 8 -0.107235540465E+04 0.21838E-03 -0.18833E-03 2890 0.262E-02 0.310E-02
RMM: 9 -0.107235540892E+04 -0.42699E-05 -0.15575E-04 1999 0.132E-02
118 T= 776. E= -.10760685E+04 F= -.10723554E+04 E0= -.10723312E+04 EK= 0.15547E+02 SP= -.19E+02 SK= 0.40E-03
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107272715317E+04 -0.37175E+00 -0.24134E+00 3710 0.156E+00 0.524E-01
RMM: 2 -0.107274523178E+04 -0.18079E-01 -0.23419E-01 4080 0.447E-01 0.473E-01
RMM: 3 -0.107274716709E+04 -0.19353E-02 -0.45824E-02 4340 0.164E-01 0.434E-01
RMM: 4 -0.107274568656E+04 0.14805E-02 -0.77966E-03 3512 0.656E-02 0.285E-01
RMM: 5 -0.107274610255E+04 -0.41599E-03 -0.83578E-03 3145 0.547E-02 0.104E-01
RMM: 6 -0.107274588414E+04 0.21841E-03 -0.16574E-03 3222 0.308E-02 0.832E-02
RMM: 7 -0.107274566002E+04 0.22412E-03 -0.42261E-04 2580 0.166E-02 0.345E-02
RMM: 8 -0.107274567885E+04 -0.18832E-04 -0.77758E-04 2423 0.171E-02
119 T= 792. E= -.10761036E+04 F= -.10727457E+04 E0= -.10727212E+04 EK= 0.15863E+02 SP= -.19E+02 SK= 0.46E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107270703340E+04 0.38627E-01 -0.19830E+00 3754 0.147E+00 0.373E-01
RMM: 2 -0.107272169132E+04 -0.14658E-01 -0.18521E-01 4113 0.399E-01 0.338E-01
RMM: 3 -0.107272401962E+04 -0.23283E-02 -0.34811E-02 4196 0.141E-01 0.299E-01
RMM: 4 -0.107272416634E+04 -0.14672E-03 -0.61316E-03 3631 0.574E-02 0.229E-01
RMM: 5 -0.107272378722E+04 0.37913E-03 -0.52805E-03 3148 0.465E-02 0.731E-02
RMM: 6 -0.107272391241E+04 -0.12519E-03 -0.12693E-03 3272 0.266E-02 0.737E-02
RMM: 7 -0.107272373763E+04 0.17478E-03 -0.19966E-04 2147 0.125E-02 0.510E-02
RMM: 8 -0.107272375452E+04 -0.16900E-04 -0.19581E-03 2721 0.236E-02 0.422E-02
RMM: 9 -0.107272367739E+04 0.77140E-04 -0.24651E-04 2057 0.130E-02
120 T= 786. E= -.10761138E+04 F= -.10727237E+04 E0= -.10726989E+04 EK= 0.15743E+02 SP= -.19E+02 SK= 0.14E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107212187758E+04 0.60188E+00 -0.20227E+00 3751 0.144E+00 0.418E-01
RMM: 2 -0.107213531552E+04 -0.13438E-01 -0.18022E-01 4070 0.401E-01 0.346E-01
RMM: 3 -0.107213766752E+04 -0.23520E-02 -0.35972E-02 4165 0.144E-01 0.255E-01
RMM: 4 -0.107213803465E+04 -0.36713E-03 -0.74138E-03 3402 0.640E-02 0.107E-01
RMM: 5 -0.107213785114E+04 0.18351E-03 -0.25900E-03 3453 0.368E-02 0.719E-02
RMM: 6 -0.107213768518E+04 0.16597E-03 -0.34487E-04 2544 0.169E-02 0.397E-02
RMM: 7 -0.107213769348E+04 -0.83026E-05 -0.45843E-04 2552 0.160E-02
121 T= 752. E= -.10760756E+04 F= -.10721377E+04 E0= -.10721127E+04 EK= 0.15065E+02 SP= -.19E+02 SK= 0.25E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107147110733E+04 0.66658E+00 -0.20265E+00 3695 0.148E+00 0.375E-01
RMM: 2 -0.107148361108E+04 -0.12504E-01 -0.16644E-01 4090 0.405E-01 0.324E-01
RMM: 3 -0.107148606768E+04 -0.24566E-02 -0.35315E-02 4207 0.145E-01 0.266E-01
RMM: 4 -0.107148674766E+04 -0.67998E-03 -0.66231E-03 3554 0.624E-02 0.192E-01
RMM: 5 -0.107148583506E+04 0.91260E-03 -0.35864E-03 3150 0.429E-02 0.578E-02
RMM: 6 -0.107148578622E+04 0.48831E-04 -0.59144E-04 2987 0.214E-02
122 T= 714. E= -.10760344E+04 F= -.10714858E+04 E0= -.10714603E+04 EK= 0.14305E+02 SP= -.19E+02 SK= 0.31E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107129995917E+04 0.18588E+00 -0.17462E+00 3809 0.142E+00 0.359E-01
RMM: 2 -0.107131259393E+04 -0.12635E-01 -0.16467E-01 4083 0.406E-01 0.313E-01
RMM: 3 -0.107131484691E+04 -0.22530E-02 -0.33306E-02 4276 0.146E-01 0.283E-01
RMM: 4 -0.107131454149E+04 0.30541E-03 -0.52692E-03 3653 0.561E-02 0.210E-01
RMM: 5 -0.107131447687E+04 0.64622E-04 -0.42153E-03 3158 0.443E-02 0.576E-02
RMM: 6 -0.107131452983E+04 -0.52957E-04 -0.92576E-04 3077 0.244E-02
123 T= 698. E= -.10760301E+04 F= -.10713145E+04 E0= -.10712888E+04 EK= 0.13988E+02 SP= -.19E+02 SK= 0.31E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107166293940E+04 -0.34846E+00 -0.15498E+00 3834 0.135E+00 0.356E-01
RMM: 2 -0.107167543342E+04 -0.12494E-01 -0.15060E-01 4116 0.374E-01 0.316E-01
RMM: 3 -0.107167712240E+04 -0.16890E-02 -0.31609E-02 4280 0.138E-01 0.292E-01
RMM: 4 -0.107167675546E+04 0.36695E-03 -0.45651E-03 3561 0.509E-02 0.215E-01
RMM: 5 -0.107167706308E+04 -0.30762E-03 -0.31169E-03 3135 0.393E-02 0.810E-02
RMM: 6 -0.107167689478E+04 0.16830E-03 -0.11116E-03 3216 0.255E-02 0.541E-02
RMM: 7 -0.107167679072E+04 0.10405E-03 -0.15955E-04 2161 0.126E-02 0.301E-02
RMM: 8 -0.107167677727E+04 0.13456E-04 -0.31531E-04 2357 0.135E-02
124 T= 708. E= -.10760579E+04 F= -.10716768E+04 E0= -.10716507E+04 EK= 0.14176E+02 SP= -.19E+02 SK= 0.31E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107216547671E+04 -0.48869E+00 -0.13816E+00 3876 0.127E+00 0.312E-01
RMM: 2 -0.107217687823E+04 -0.11402E-01 -0.13549E-01 4106 0.334E-01 0.287E-01
RMM: 3 -0.107217850974E+04 -0.16315E-02 -0.26892E-02 4226 0.123E-01 0.274E-01
RMM: 4 -0.107217804113E+04 0.46861E-03 -0.30629E-03 3488 0.429E-02 0.224E-01
RMM: 5 -0.107217796981E+04 0.71323E-04 -0.74157E-03 3045 0.482E-02 0.772E-02
RMM: 6 -0.107217814382E+04 -0.17402E-03 -0.20547E-03 3294 0.307E-02 0.921E-02
RMM: 7 -0.107217789262E+04 0.25120E-03 -0.17427E-04 2254 0.129E-02 0.654E-02
RMM: 8 -0.107217792214E+04 -0.29525E-04 -0.35708E-03 2767 0.300E-02 0.556E-02
RMM: 9 -0.107217777094E+04 0.15121E-03 -0.57880E-04 2188 0.161E-02 0.851E-03
RMM: 10 -0.107217778595E+04 -0.15016E-04 -0.17908E-04 1951 0.976E-03
125 T= 723. E= -.10760920E+04 F= -.10721778E+04 E0= -.10721513E+04 EK= 0.14491E+02 SP= -.18E+02 SK= 0.34E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107233598955E+04 -0.15822E+00 -0.13689E+00 3842 0.126E+00 0.285E-01
RMM: 2 -0.107234786671E+04 -0.11877E-01 -0.14447E-01 4090 0.350E-01 0.262E-01
RMM: 3 -0.107234964913E+04 -0.17824E-02 -0.25526E-02 4235 0.123E-01 0.239E-01
RMM: 4 -0.107234979491E+04 -0.14578E-03 -0.43186E-03 3504 0.490E-02 0.186E-01
RMM: 5 -0.107234949324E+04 0.30167E-03 -0.65225E-03 3102 0.489E-02 0.894E-02
RMM: 6 -0.107234943255E+04 0.60688E-04 -0.90494E-04 3044 0.256E-02
126 T= 723. E= -.10761055E+04 F= -.10723494E+04 E0= -.10723225E+04 EK= 0.14486E+02 SP= -.18E+02 SK= 0.39E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107208680423E+04 0.26269E+00 -0.17287E+00 3735 0.143E+00 0.346E-01
RMM: 2 -0.107209992771E+04 -0.13123E-01 -0.17112E-01 4131 0.404E-01 0.284E-01
RMM: 3 -0.107210267425E+04 -0.27465E-02 -0.37249E-02 4322 0.149E-01 0.264E-01
RMM: 4 -0.107210232199E+04 0.35226E-03 -0.47870E-03 3685 0.545E-02 0.211E-01
RMM: 5 -0.107210220447E+04 0.11752E-03 -0.41377E-03 3129 0.433E-02 0.812E-02
RMM: 6 -0.107210238612E+04 -0.18165E-03 -0.14634E-03 3234 0.283E-02 0.803E-02
RMM: 7 -0.107210219876E+04 0.18736E-03 -0.22949E-04 2381 0.141E-02 0.598E-02
RMM: 8 -0.107210210122E+04 0.97539E-04 -0.11573E-03 2739 0.217E-02 0.188E-02
RMM: 9 -0.107210210579E+04 -0.45724E-05 -0.15128E-04 2114 0.124E-02
127 T= 703. E= -.10760790E+04 F= -.10721021E+04 E0= -.10720748E+04 EK= 0.14094E+02 SP= -.18E+02 SK= 0.41E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107187069372E+04 0.23141E+00 -0.23547E+00 3637 0.165E+00 0.412E-01
RMM: 2 -0.107188823158E+04 -0.17538E-01 -0.22125E-01 4117 0.476E-01 0.375E-01
RMM: 3 -0.107189091758E+04 -0.26860E-02 -0.43935E-02 4331 0.170E-01 0.361E-01
RMM: 4 -0.107189039937E+04 0.51820E-03 -0.65346E-03 3806 0.641E-02 0.306E-01
RMM: 5 -0.107189023930E+04 0.16007E-03 -0.13053E-02 3092 0.653E-02 0.103E-01
RMM: 6 -0.107189041976E+04 -0.18046E-03 -0.25832E-03 3344 0.374E-02 0.113E-01
RMM: 7 -0.107189003027E+04 0.38949E-03 -0.28991E-04 2550 0.159E-02 0.845E-02
RMM: 8 -0.107188995775E+04 0.72524E-04 -0.45575E-03 2789 0.351E-02 0.562E-02
RMM: 9 -0.107188981059E+04 0.14716E-03 -0.49223E-04 2300 0.176E-02 0.160E-02
RMM: 10 -0.107188981556E+04 -0.49697E-05 -0.22338E-04 1976 0.115E-02
128 T= 685. E= -.10760617E+04 F= -.10718898E+04 E0= -.10718622E+04 EK= 0.13732E+02 SP= -.18E+02 SK= 0.39E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107201960524E+04 -0.12979E+00 -0.20114E+00 3734 0.153E+00 0.351E-01
RMM: 2 -0.107203287407E+04 -0.13269E-01 -0.18275E-01 4100 0.431E-01 0.315E-01
RMM: 3 -0.107203511194E+04 -0.22379E-02 -0.35435E-02 4215 0.152E-01 0.276E-01
RMM: 4 -0.107203555436E+04 -0.44242E-03 -0.73209E-03 3718 0.642E-02 0.215E-01
RMM: 5 -0.107203478836E+04 0.76600E-03 -0.29517E-03 3180 0.420E-02 0.664E-02
RMM: 6 -0.107203491335E+04 -0.12499E-03 -0.10481E-03 3266 0.244E-02 0.493E-02
RMM: 7 -0.107203484455E+04 0.68797E-04 -0.17773E-04 2071 0.126E-02
129 T= 684. E= -.10760687E+04 F= -.10720348E+04 E0= -.10720070E+04 EK= 0.13714E+02 SP= -.18E+02 SK= 0.35E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107247730951E+04 -0.44240E+00 -0.23909E+00 3630 0.157E+00 0.529E-01
RMM: 2 -0.107248976851E+04 -0.12459E-01 -0.19449E-01 4122 0.437E-01 0.438E-01
RMM: 3 -0.107249070950E+04 -0.94099E-03 -0.38687E-02 4211 0.159E-01 0.264E-01
RMM: 4 -0.107249246874E+04 -0.17592E-02 -0.10856E-02 3750 0.768E-02 0.182E-01
RMM: 5 -0.107249078431E+04 0.16844E-02 -0.20880E-03 3240 0.379E-02 0.855E-02
RMM: 6 -0.107249084209E+04 -0.57777E-04 -0.84148E-04 3050 0.224E-02
130 T= 699. E= -.10760898E+04 F= -.10724908E+04 E0= -.10724627E+04 EK= 0.14000E+02 SP= -.18E+02 SK= 0.32E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107288584091E+04 -0.39506E+00 -0.17832E+00 3670 0.140E+00 0.428E-01
RMM: 2 -0.107289756717E+04 -0.11726E-01 -0.15977E-01 4154 0.376E-01 0.366E-01
RMM: 3 -0.107289942507E+04 -0.18579E-02 -0.34776E-02 4241 0.141E-01 0.334E-01
RMM: 4 -0.107289813132E+04 0.12938E-02 -0.58178E-03 3486 0.579E-02 0.211E-01
RMM: 5 -0.107289821412E+04 -0.82798E-04 -0.47572E-03 3116 0.419E-02 0.727E-02
RMM: 6 -0.107289830229E+04 -0.88166E-04 -0.99463E-04 3177 0.248E-02
131 T= 709. E= -.10761380E+04 F= -.10728983E+04 E0= -.10728699E+04 EK= 0.14210E+02 SP= -.17E+02 SK= 0.33E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107263346622E+04 0.26475E+00 -0.15571E+00 3557 0.133E+00 0.356E-01
RMM: 2 -0.107264457905E+04 -0.11113E-01 -0.13501E-01 4180 0.364E-01 0.294E-01
RMM: 3 -0.107264682853E+04 -0.22495E-02 -0.30588E-02 4228 0.134E-01 0.274E-01
RMM: 4 -0.107264619672E+04 0.63181E-03 -0.38835E-03 3574 0.518E-02 0.196E-01
RMM: 5 -0.107264629731E+04 -0.10059E-03 -0.46698E-03 3058 0.436E-02 0.622E-02
RMM: 6 -0.107264632218E+04 -0.24875E-04 -0.10362E-03 3204 0.261E-02 0.638E-02
RMM: 7 -0.107264618419E+04 0.13800E-03 -0.82973E-05 1934 0.123E-02 0.450E-02
RMM: 8 -0.107264614749E+04 0.36700E-04 -0.95984E-04 2715 0.199E-02
132 T= 690. E= -.10761117E+04 F= -.10726461E+04 E0= -.10726174E+04 EK= 0.13833E+02 SP= -.17E+02 SK= 0.32E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107203652147E+04 0.60966E+00 -0.19419E+00 3514 0.146E+00 0.387E-01
RMM: 2 -0.107204777793E+04 -0.11256E-01 -0.15160E-01 4126 0.410E-01 0.317E-01
RMM: 3 -0.107205021490E+04 -0.24370E-02 -0.33350E-02 4290 0.148E-01 0.257E-01
RMM: 4 -0.107205042822E+04 -0.21332E-03 -0.60267E-03 3815 0.622E-02 0.188E-01
RMM: 5 -0.107204980084E+04 0.62739E-03 -0.22200E-03 3099 0.375E-02 0.472E-02
RMM: 6 -0.107204987164E+04 -0.70806E-04 -0.61898E-04 3187 0.211E-02
133 T= 657. E= -.10760509E+04 F= -.10720499E+04 E0= -.10720211E+04 EK= 0.13157E+02 SP= -.17E+02 SK= 0.26E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107188342337E+04 0.16638E+00 -0.15566E+00 3709 0.135E+00 0.314E-01
RMM: 2 -0.107189392122E+04 -0.10498E-01 -0.13433E-01 4131 0.375E-01 0.265E-01
RMM: 3 -0.107189593109E+04 -0.20099E-02 -0.27774E-02 4242 0.136E-01 0.217E-01
RMM: 4 -0.107189651877E+04 -0.58768E-03 -0.54443E-03 3704 0.585E-02 0.164E-01
RMM: 5 -0.107189598334E+04 0.53543E-03 -0.22111E-03 3139 0.369E-02 0.544E-02
RMM: 6 -0.107189602919E+04 -0.45846E-04 -0.56438E-04 3152 0.205E-02
134 T= 644. E= -.10760458E+04 F= -.10718960E+04 E0= -.10718671E+04 EK= 0.12895E+02 SP= -.17E+02 SK= 0.17E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107226915512E+04 -0.37317E+00 -0.11280E+00 3791 0.116E+00 0.279E-01
RMM: 2 -0.107227842505E+04 -0.92699E-02 -0.10943E-01 4134 0.316E-01 0.242E-01
RMM: 3 -0.107227998134E+04 -0.15563E-02 -0.21571E-02 4136 0.114E-01 0.213E-01
RMM: 4 -0.107227992690E+04 0.54435E-04 -0.36097E-03 3610 0.461E-02 0.152E-01
RMM: 5 -0.107228003578E+04 -0.10888E-03 -0.19058E-03 3057 0.323E-02 0.510E-02
RMM: 6 -0.107228007521E+04 -0.39424E-04 -0.62374E-04 3159 0.198E-02
135 T= 657. E= -.10760757E+04 F= -.10722801E+04 E0= -.10722509E+04 EK= 0.13162E+02 SP= -.17E+02 SK= 0.97E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107278885578E+04 -0.50882E+00 -0.11668E+00 3705 0.117E+00 0.306E-01
RMM: 2 -0.107279834321E+04 -0.94874E-02 -0.11323E-01 4141 0.309E-01 0.260E-01
RMM: 3 -0.107279998898E+04 -0.16458E-02 -0.23031E-02 4166 0.112E-01 0.238E-01
RMM: 4 -0.107279958657E+04 0.40241E-03 -0.29197E-03 3496 0.433E-02 0.178E-01
RMM: 5 -0.107279969824E+04 -0.11167E-03 -0.46243E-03 3029 0.405E-02 0.679E-02
RMM: 6 -0.107279972150E+04 -0.23255E-04 -0.10167E-03 3169 0.249E-02 0.698E-02
RMM: 7 -0.107279956731E+04 0.15418E-03 -0.61145E-05 1999 0.118E-02 0.478E-02
RMM: 8 -0.107279954428E+04 0.23038E-04 -0.12329E-03 2690 0.205E-02 0.258E-02
RMM: 9 -0.107279952548E+04 0.18799E-04 -0.67792E-05 1976 0.121E-02
136 T= 678. E= -.10761019E+04 F= -.10727995E+04 E0= -.10727698E+04 EK= 0.13588E+02 SP= -.17E+02 SK= 0.60E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107307635064E+04 -0.27681E+00 -0.11757E+00 3725 0.114E+00 0.284E-01
RMM: 2 -0.107308571247E+04 -0.93618E-02 -0.11585E-01 4124 0.312E-01 0.242E-01
RMM: 3 -0.107308701812E+04 -0.13056E-02 -0.20991E-02 4061 0.110E-01 0.192E-01
RMM: 4 -0.107308737046E+04 -0.35234E-03 -0.44142E-03 3554 0.488E-02 0.145E-01
RMM: 5 -0.107308686098E+04 0.50948E-03 -0.14779E-03 3055 0.299E-02 0.448E-02
RMM: 6 -0.107308692636E+04 -0.65382E-04 -0.39106E-04 2779 0.172E-02
137 T= 689. E= -.10761181E+04 F= -.10730869E+04 E0= -.10730571E+04 EK= 0.13803E+02 SP= -.17E+02 SK= 0.44E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107297857078E+04 0.10829E+00 -0.13799E+00 3569 0.125E+00 0.301E-01
RMM: 2 -0.107298954242E+04 -0.10972E-01 -0.13141E-01 4194 0.352E-01 0.234E-01
RMM: 3 -0.107299179745E+04 -0.22550E-02 -0.26673E-02 4231 0.128E-01 0.196E-01
RMM: 4 -0.107299186816E+04 -0.70716E-04 -0.44299E-03 3713 0.525E-02 0.152E-01
RMM: 5 -0.107299172159E+04 0.14657E-03 -0.22550E-03 3103 0.355E-02 0.445E-02
RMM: 6 -0.107299180397E+04 -0.82381E-04 -0.59137E-04 3160 0.206E-02
138 T= 682. E= -.10761024E+04 F= -.10729918E+04 E0= -.10729619E+04 EK= 0.13673E+02 SP= -.17E+02 SK= 0.31E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107282443060E+04 0.16729E+00 -0.19147E+00 3565 0.143E+00 0.399E-01
RMM: 2 -0.107283612879E+04 -0.11698E-01 -0.16026E-01 4172 0.403E-01 0.320E-01
RMM: 3 -0.107283827921E+04 -0.21504E-02 -0.32094E-02 4246 0.147E-01 0.247E-01
RMM: 4 -0.107283850657E+04 -0.22736E-03 -0.73240E-03 3813 0.659E-02 0.172E-01
RMM: 5 -0.107283798065E+04 0.52592E-03 -0.15781E-03 3125 0.345E-02 0.569E-02
RMM: 6 -0.107283808407E+04 -0.10342E-03 -0.51823E-04 3022 0.194E-02 0.400E-02
RMM: 7 -0.107283800354E+04 0.80526E-04 -0.82252E-05 2019 0.120E-02
139 T= 674. E= -.10760752E+04 F= -.10728380E+04 E0= -.10728081E+04 EK= 0.13506E+02 SP= -.17E+02 SK= 0.17E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107303302870E+04 -0.19494E+00 -0.18069E+00 3627 0.139E+00 0.385E-01
RMM: 2 -0.107304463688E+04 -0.11608E-01 -0.15165E-01 4147 0.384E-01 0.319E-01
RMM: 3 -0.107304646754E+04 -0.18307E-02 -0.31704E-02 4161 0.141E-01 0.228E-01
RMM: 4 -0.107304717754E+04 -0.71001E-03 -0.77503E-03 3730 0.666E-02 0.154E-01
RMM: 5 -0.107304635758E+04 0.81996E-03 -0.16299E-03 3252 0.340E-02 0.586E-02
RMM: 6 -0.107304635049E+04 0.70899E-05 -0.44043E-04 2818 0.184E-02
140 T= 682. E= -.10760947E+04 F= -.10730464E+04 E0= -.10730164E+04 EK= 0.13669E+02 SP= -.17E+02 SK= 0.70E-03
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107343480992E+04 -0.38845E+00 -0.17855E+00 3556 0.135E+00 0.429E-01
RMM: 2 -0.107344438148E+04 -0.95716E-02 -0.14157E-01 4155 0.369E-01 0.353E-01
RMM: 3 -0.107344629164E+04 -0.19102E-02 -0.33089E-02 4239 0.140E-01 0.315E-01
RMM: 4 -0.107344480010E+04 0.14915E-02 -0.79607E-03 3380 0.668E-02 0.140E-01
RMM: 5 -0.107344490756E+04 -0.10746E-03 -0.20389E-03 3391 0.341E-02 0.764E-02
RMM: 6 -0.107344493517E+04 -0.27607E-04 -0.37094E-04 2705 0.179E-02
141 T= 700. E= -.10761138E+04 F= -.10734449E+04 E0= -.10734147E+04 EK= 0.14032E+02 SP= -.17E+02 SK= 0.38E-03
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107373885568E+04 -0.29395E+00 -0.19037E+00 3607 0.135E+00 0.493E-01
RMM: 2 -0.107374976241E+04 -0.10907E-01 -0.15708E-01 4195 0.366E-01 0.403E-01
RMM: 3 -0.107375148655E+04 -0.17241E-02 -0.36214E-02 4253 0.143E-01 0.358E-01
RMM: 4 -0.107374946437E+04 0.20222E-02 -0.10295E-02 3308 0.719E-02 0.147E-01
RMM: 5 -0.107374985568E+04 -0.39131E-03 -0.33558E-03 3496 0.399E-02 0.991E-02
RMM: 6 -0.107374961608E+04 0.23960E-03 -0.43223E-04 2669 0.189E-02 0.733E-02
RMM: 7 -0.107374960133E+04 0.14751E-04 -0.74688E-04 2805 0.200E-02
142 T= 714. E= -.10761335E+04 F= -.10737496E+04 E0= -.10737191E+04 EK= 0.14301E+02 SP= -.17E+02 SK= 0.48E-03
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107368881086E+04 0.60805E-01 -0.14602E+00 3579 0.124E+00 0.353E-01
RMM: 2 -0.107369899950E+04 -0.10189E-01 -0.12697E-01 4167 0.335E-01 0.287E-01
RMM: 3 -0.107370088681E+04 -0.18873E-02 -0.27050E-02 4210 0.126E-01 0.244E-01
RMM: 4 -0.107370037352E+04 0.51329E-03 -0.48463E-03 3529 0.544E-02 0.136E-01
RMM: 5 -0.107370042594E+04 -0.52420E-04 -0.18408E-03 3203 0.318E-02 0.534E-02
RMM: 6 -0.107370043009E+04 -0.41457E-05 -0.38194E-04 2653 0.177E-02
143 T= 710. E= -.10761299E+04 F= -.10737004E+04 E0= -.10736700E+04 EK= 0.14234E+02 SP= -.17E+02 SK= 0.75E-03
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107334631817E+04 0.35411E+00 -0.16803E+00 3510 0.133E+00 0.374E-01
RMM: 2 -0.107335782136E+04 -0.11503E-01 -0.14314E-01 4183 0.366E-01 0.311E-01
RMM: 3 -0.107336020461E+04 -0.23833E-02 -0.31528E-02 4276 0.137E-01 0.282E-01
RMM: 4 -0.107335954868E+04 0.65593E-03 -0.46141E-03 3617 0.546E-02 0.180E-01
RMM: 5 -0.107335954654E+04 0.21431E-05 -0.22789E-03 3125 0.360E-02 0.544E-02
RMM: 6 -0.107335957955E+04 -0.33008E-04 -0.69724E-04 3186 0.218E-02
144 T= 694. E= -.10760919E+04 F= -.10733596E+04 E0= -.10733293E+04 EK= 0.13907E+02 SP= -.17E+02 SK= 0.72E-03
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107320403203E+04 0.15551E+00 -0.17273E+00 3596 0.136E+00 0.366E-01
RMM: 2 -0.107321676093E+04 -0.12729E-01 -0.15332E-01 4187 0.370E-01 0.306E-01
RMM: 3 -0.107321933366E+04 -0.25727E-02 -0.33402E-02 4283 0.139E-01 0.280E-01
RMM: 4 -0.107321868930E+04 0.64436E-03 -0.46242E-03 3604 0.549E-02 0.187E-01
RMM: 5 -0.107321874397E+04 -0.54677E-04 -0.37749E-03 3103 0.409E-02 0.541E-02
RMM: 6 -0.107321875933E+04 -0.15353E-04 -0.62331E-04 3018 0.226E-02
145 T= 687. E= -.10760798E+04 F= -.10732188E+04 E0= -.10731891E+04 EK= 0.13758E+02 SP= -.17E+02 SK= 0.38E-03
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107343277147E+04 -0.21403E+00 -0.12310E+00 3667 0.118E+00 0.263E-01
RMM: 2 -0.107344280815E+04 -0.10037E-01 -0.11389E-01 4194 0.321E-01 0.223E-01
RMM: 3 -0.107344477977E+04 -0.19716E-02 -0.24728E-02 4221 0.119E-01 0.204E-01
RMM: 4 -0.107344461854E+04 0.16122E-03 -0.33047E-03 3578 0.457E-02 0.146E-01
RMM: 5 -0.107344472416E+04 -0.10562E-03 -0.26761E-03 3124 0.369E-02 0.475E-02
RMM: 6 -0.107344471259E+04 0.11564E-04 -0.48779E-04 3061 0.208E-02
146 T= 696. E= -.10761017E+04 F= -.10734447E+04 E0= -.10734148E+04 EK= 0.13950E+02 SP= -.17E+02 SK= 0.16E-03
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107373243163E+04 -0.28771E+00 -0.12494E+00 3627 0.119E+00 0.317E-01
RMM: 2 -0.107374237849E+04 -0.99469E-02 -0.11665E-01 4180 0.323E-01 0.263E-01
RMM: 3 -0.107374422492E+04 -0.18464E-02 -0.23824E-02 4228 0.119E-01 0.222E-01
RMM: 4 -0.107374407113E+04 0.15379E-03 -0.38017E-03 3583 0.491E-02 0.149E-01
RMM: 5 -0.107374397523E+04 0.95902E-04 -0.20587E-03 3119 0.342E-02 0.431E-02
RMM: 6 -0.107374401044E+04 -0.35212E-04 -0.34129E-04 2911 0.188E-02
147 T= 710. E= -.10761184E+04 F= -.10737440E+04 E0= -.10737138E+04 EK= 0.14224E+02 SP= -.17E+02 SK= 0.16E-03
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107387156955E+04 -0.12759E+00 -0.13521E+00 3579 0.119E+00 0.318E-01
RMM: 2 -0.107388222581E+04 -0.10656E-01 -0.12651E-01 4205 0.327E-01 0.261E-01
RMM: 3 -0.107388409936E+04 -0.18736E-02 -0.25330E-02 4239 0.122E-01 0.217E-01
RMM: 4 -0.107388403784E+04 0.61515E-04 -0.44318E-03 3608 0.507E-02 0.153E-01
RMM: 5 -0.107388384804E+04 0.18980E-03 -0.25078E-03 3061 0.361E-02 0.478E-02
RMM: 6 -0.107388386010E+04 -0.12054E-04 -0.37067E-04 2891 0.197E-02
148 T= 716. E= -.10761238E+04 F= -.10738839E+04 E0= -.10738538E+04 EK= 0.14346E+02 SP= -.17E+02 SK= 0.34E-03
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107378411656E+04 0.99731E-01 -0.13362E+00 3610 0.118E+00 0.300E-01
RMM: 2 -0.107379565047E+04 -0.11534E-01 -0.12801E-01 4200 0.322E-01 0.259E-01
RMM: 3 -0.107379732396E+04 -0.16735E-02 -0.25965E-02 4252 0.120E-01 0.242E-01
RMM: 4 -0.107379689010E+04 0.43386E-03 -0.35080E-03 3565 0.469E-02 0.168E-01
RMM: 5 -0.107379694058E+04 -0.50481E-04 -0.29544E-03 3023 0.375E-02 0.449E-02
RMM: 6 -0.107379701320E+04 -0.72616E-04 -0.64980E-04 3135 0.218E-02
149 T= 710. E= -.10761301E+04 F= -.10737970E+04 E0= -.10737672E+04 EK= 0.14234E+02 SP= -.17E+02 SK= 0.61E-03
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107346737756E+04 0.32956E+00 -0.14120E+00 3573 0.121E+00 0.317E-01
RMM: 2 -0.107347829147E+04 -0.10914E-01 -0.12998E-01 4187 0.334E-01 0.272E-01
RMM: 3 -0.107348012719E+04 -0.18357E-02 -0.27307E-02 4206 0.123E-01 0.252E-01
RMM: 4 -0.107347966302E+04 0.46417E-03 -0.39278E-03 3574 0.489E-02 0.164E-01
RMM: 5 -0.107347965880E+04 0.42234E-05 -0.19923E-03 3012 0.329E-02 0.446E-02
RMM: 6 -0.107347969576E+04 -0.36965E-04 -0.51535E-04 3008 0.197E-02
150 T= 694. E= -.10761101E+04 F= -.10734797E+04 E0= -.10734500E+04 EK= 0.13914E+02 SP= -.17E+02 SK= 0.59E-03
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107323075559E+04 0.24890E+00 -0.18278E+00 3549 0.135E+00 0.427E-01
RMM: 2 -0.107324198780E+04 -0.11232E-01 -0.15237E-01 4168 0.373E-01 0.355E-01
RMM: 3 -0.107324381040E+04 -0.18226E-02 -0.32143E-02 4208 0.138E-01 0.254E-01
RMM: 4 -0.107324405678E+04 -0.24638E-03 -0.76868E-03 3615 0.665E-02 0.152E-01
RMM: 5 -0.107324330713E+04 0.74965E-03 -0.14552E-03 3230 0.330E-02 0.657E-02
RMM: 6 -0.107324336344E+04 -0.56315E-04 -0.38724E-04 2788 0.188E-02
151 T= 683. E= -.10760954E+04 F= -.10732434E+04 E0= -.10732142E+04 EK= 0.13675E+02 SP= -.17E+02 SK= 0.25E-03
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107329967429E+04 -0.56367E-01 -0.15595E+00 3595 0.129E+00 0.364E-01
RMM: 2 -0.107330999041E+04 -0.10316E-01 -0.13408E-01 4173 0.357E-01 0.307E-01
RMM: 3 -0.107331192089E+04 -0.19305E-02 -0.30156E-02 4228 0.134E-01 0.268E-01
RMM: 4 -0.107331113816E+04 0.78273E-03 -0.56753E-03 3500 0.596E-02 0.141E-01
RMM: 5 -0.107331119879E+04 -0.60638E-04 -0.20474E-03 3234 0.345E-02 0.617E-02
RMM: 6 -0.107331122037E+04 -0.21578E-04 -0.33739E-04 2680 0.187E-02
152 T= 685. E= -.10761113E+04 F= -.10733112E+04 E0= -.10732819E+04 EK= 0.13719E+02 SP= -.17E+02 SK= 0.18E-04
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107350147716E+04 -0.19028E+00 -0.17224E+00 3582 0.132E+00 0.453E-01
RMM: 2 -0.107351144498E+04 -0.99678E-02 -0.14228E-01 4165 0.361E-01 0.357E-01
RMM: 3 -0.107351346341E+04 -0.20184E-02 -0.32426E-02 4225 0.138E-01 0.256E-01
RMM: 4 -0.107351306930E+04 0.39411E-03 -0.74797E-03 3638 0.640E-02 0.156E-01
RMM: 5 -0.107351248941E+04 0.57989E-03 -0.96271E-04 3130 0.292E-02 0.696E-02
RMM: 6 -0.107351262084E+04 -0.13143E-03 -0.48219E-04 2901 0.191E-02 0.459E-02
RMM: 7 -0.107351247608E+04 0.14476E-03 -0.39431E-05 2118 0.128E-02 0.144E-02
RMM: 8 -0.107351246071E+04 0.15370E-04 0.79565E-05 1887 0.106E-02
153 T= 694. E= -.10761229E+04 F= -.10735125E+04 E0= -.10734832E+04 EK= 0.13910E+02 SP= -.17E+02 SK= 0.14E-04
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107363234352E+04 -0.11987E+00 -0.16130E+00 3561 0.130E+00 0.410E-01
RMM: 2 -0.107364268184E+04 -0.10338E-01 -0.13842E-01 4166 0.362E-01 0.325E-01
RMM: 3 -0.107364427133E+04 -0.15895E-02 -0.30877E-02 4223 0.135E-01 0.202E-01
RMM: 4 -0.107364535385E+04 -0.10825E-02 -0.69930E-03 3736 0.616E-02 0.155E-01
RMM: 5 -0.107364424183E+04 0.11120E-02 -0.12751E-03 3112 0.307E-02 0.616E-02
RMM: 6 -0.107364428670E+04 -0.44874E-04 -0.49031E-04 2769 0.183E-02
154 T= 700. E= -.10761399E+04 F= -.10736443E+04 E0= -.10736152E+04 EK= 0.14030E+02 SP= -.17E+02 SK= 0.52E-04
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107349196009E+04 0.15228E+00 -0.14933E+00 3537 0.128E+00 0.333E-01
RMM: 2 -0.107350275431E+04 -0.10794E-01 -0.12968E-01 4170 0.361E-01 0.272E-01
RMM: 3 -0.107350527352E+04 -0.25192E-02 -0.31306E-02 4310 0.136E-01 0.249E-01
RMM: 4 -0.107350478647E+04 0.48705E-03 -0.43456E-03 3662 0.530E-02 0.164E-01
RMM: 5 -0.107350474454E+04 0.41931E-04 -0.19880E-03 3081 0.346E-02 0.373E-02
RMM: 6 -0.107350480845E+04 -0.63915E-04 -0.54995E-04 3050 0.199E-02
155 T= 694. E= -.10761263E+04 F= -.10735048E+04 E0= -.10734759E+04 EK= 0.13910E+02 SP= -.17E+02 SK= 0.11E-03
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107328165283E+04 0.22309E+00 -0.18024E+00 3497 0.139E+00 0.387E-01
RMM: 2 -0.107329255566E+04 -0.10903E-01 -0.14102E-01 4156 0.380E-01 0.316E-01
RMM: 3 -0.107329511746E+04 -0.25618E-02 -0.33601E-02 4291 0.141E-01 0.285E-01
RMM: 4 -0.107329433719E+04 0.78027E-03 -0.50608E-03 3626 0.570E-02 0.181E-01
RMM: 5 -0.107329425755E+04 0.79646E-04 -0.22489E-03 3118 0.361E-02 0.472E-02
RMM: 6 -0.107329433275E+04 -0.75204E-04 -0.54660E-04 3076 0.205E-02
156 T= 686. E= -.10760944E+04 F= -.10732943E+04 E0= -.10732652E+04 EK= 0.13743E+02 SP= -.17E+02 SK= 0.33E-03
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107342590295E+04 -0.13165E+00 -0.15389E+00 3570 0.131E+00 0.332E-01
RMM: 2 -0.107343641828E+04 -0.10515E-01 -0.12792E-01 4157 0.359E-01 0.276E-01
RMM: 3 -0.107343860165E+04 -0.21834E-02 -0.27912E-02 4209 0.133E-01 0.234E-01
RMM: 4 -0.107343856388E+04 0.37775E-04 -0.46589E-03 3632 0.541E-02 0.168E-01
RMM: 5 -0.107343841152E+04 0.15235E-03 -0.33064E-03 3095 0.403E-02 0.556E-02
RMM: 6 -0.107343838430E+04 0.27223E-04 -0.44176E-04 2844 0.212E-02
157 T= 694. E= -.10760952E+04 F= -.10734384E+04 E0= -.10734097E+04 EK= 0.13905E+02 SP= -.17E+02 SK= 0.67E-03
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107392684505E+04 -0.48843E+00 -0.12241E+00 3637 0.115E+00 0.324E-01
RMM: 2 -0.107393544623E+04 -0.86012E-02 -0.10673E-01 4146 0.311E-01 0.259E-01
RMM: 3 -0.107393718788E+04 -0.17417E-02 -0.23670E-02 4210 0.119E-01 0.216E-01
RMM: 4 -0.107393680720E+04 0.38068E-03 -0.40605E-03 3500 0.507E-02 0.122E-01
RMM: 5 -0.107393678345E+04 0.23751E-04 -0.13157E-03 3095 0.287E-02 0.426E-02
RMM: 6 -0.107393684347E+04 -0.60028E-04 -0.29007E-04 2493 0.162E-02
158 T= 719. E= -.10761249E+04 F= -.10739368E+04 E0= -.10739084E+04 EK= 0.14398E+02 SP= -.17E+02 SK= 0.58E-03
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107437338382E+04 -0.43660E+00 -0.11432E+00 3560 0.112E+00 0.316E-01
RMM: 2 -0.107438243228E+04 -0.90485E-02 -0.10631E-01 4145 0.296E-01 0.261E-01
RMM: 3 -0.107438397291E+04 -0.15406E-02 -0.22320E-02 4130 0.111E-01 0.214E-01
RMM: 4 -0.107438372715E+04 0.24576E-03 -0.39555E-03 3442 0.483E-02 0.131E-01
RMM: 5 -0.107438361541E+04 0.11173E-03 -0.18189E-03 3002 0.313E-02 0.455E-02
RMM: 6 -0.107438362800E+04 -0.12586E-04 -0.20074E-04 2561 0.168E-02
159 T= 740. E= -.10761512E+04 F= -.10743836E+04 E0= -.10743552E+04 EK= 0.14835E+02 SP= -.17E+02 SK= 0.69E-04
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107441862249E+04 -0.35007E-01 -0.12098E+00 3551 0.116E+00 0.306E-01
RMM: 2 -0.107442803447E+04 -0.94120E-02 -0.11215E-01 4148 0.316E-01 0.244E-01
RMM: 3 -0.107442979091E+04 -0.17564E-02 -0.23807E-02 4197 0.117E-01 0.198E-01
RMM: 4 -0.107442970699E+04 0.83919E-04 -0.41350E-03 3568 0.495E-02 0.134E-01
RMM: 5 -0.107442951474E+04 0.19224E-03 -0.15898E-03 3028 0.312E-02 0.430E-02
RMM: 6 -0.107442955906E+04 -0.44316E-04 -0.27445E-04 2803 0.177E-02
160 T= 743. E= -.10761512E+04 F= -.10744296E+04 E0= -.10744013E+04 EK= 0.14878E+02 SP= -.17E+02 SK= 0.21E-03
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107412972469E+04 0.29979E+00 -0.14670E+00 3521 0.128E+00 0.305E-01
RMM: 2 -0.107414053629E+04 -0.10812E-01 -0.13193E-01 4147 0.356E-01 0.247E-01
RMM: 3 -0.107414267433E+04 -0.21380E-02 -0.27811E-02 4233 0.129E-01 0.203E-01
RMM: 4 -0.107414280745E+04 -0.13312E-03 -0.46345E-03 3684 0.534E-02 0.148E-01
RMM: 5 -0.107414251457E+04 0.29288E-03 -0.13244E-03 3079 0.317E-02 0.374E-02
RMM: 6 -0.107414255863E+04 -0.44063E-04 -0.30049E-04 2818 0.177E-02
161 T= 729. E= -.10761190E+04 F= -.10741426E+04 E0= -.10741145E+04 EK= 0.14601E+02 SP= -.17E+02 SK= 0.12E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107398674685E+04 0.15577E+00 -0.17643E+00 3577 0.137E+00 0.410E-01
RMM: 2 -0.107399856214E+04 -0.11815E-01 -0.15161E-01 4172 0.373E-01 0.338E-01
RMM: 3 -0.107400076690E+04 -0.22048E-02 -0.31959E-02 4244 0.139E-01 0.279E-01
RMM: 4 -0.107400021791E+04 0.54899E-03 -0.64005E-03 3578 0.623E-02 0.152E-01
RMM: 5 -0.107400010302E+04 0.11489E-03 -0.18373E-03 3225 0.340E-02 0.600E-02
RMM: 6 -0.107400015652E+04 -0.53500E-04 -0.32664E-04 2714 0.188E-02
162 T= 720. E= -.10761107E+04 F= -.10740002E+04 E0= -.10739725E+04 EK= 0.14431E+02 SP= -.17E+02 SK= 0.22E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107413829335E+04 -0.13819E+00 -0.12932E+00 3584 0.121E+00 0.312E-01
RMM: 2 -0.107414734531E+04 -0.90520E-02 -0.11467E-01 4142 0.328E-01 0.268E-01
RMM: 3 -0.107414887508E+04 -0.15298E-02 -0.24624E-02 4166 0.121E-01 0.218E-01
RMM: 4 -0.107414879366E+04 0.81418E-04 -0.45947E-03 3529 0.531E-02 0.134E-01
RMM: 5 -0.107414851979E+04 0.27387E-03 -0.10520E-03 3125 0.290E-02 0.487E-02
RMM: 6 -0.107414857092E+04 -0.51125E-04 -0.86370E-05 2450 0.163E-02
163 T= 724. E= -.10761416E+04 F= -.10741486E+04 E0= -.10741217E+04 EK= 0.14504E+02 SP= -.17E+02 SK= 0.34E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107419708920E+04 -0.48569E-01 -0.14678E+00 3558 0.126E+00 0.402E-01
RMM: 2 -0.107420599229E+04 -0.89031E-02 -0.12171E-01 4131 0.343E-01 0.319E-01
RMM: 3 -0.107420779607E+04 -0.18038E-02 -0.28750E-02 4256 0.129E-01 0.221E-01
RMM: 4 -0.107420788516E+04 -0.89096E-04 -0.56417E-03 3630 0.584E-02 0.143E-01
RMM: 5 -0.107420725049E+04 0.63467E-03 -0.80434E-04 3075 0.276E-02 0.576E-02
RMM: 6 -0.107420732074E+04 -0.70246E-04 -0.21268E-04 2651 0.174E-02
164 T= 723. E= -.10761572E+04 F= -.10742073E+04 E0= -.10741804E+04 EK= 0.14492E+02 SP= -.16E+02 SK= 0.49E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107392360336E+04 0.28365E+00 -0.16277E+00 3548 0.132E+00 0.392E-01
RMM: 2 -0.107393381178E+04 -0.10208E-01 -0.13792E-01 4133 0.363E-01 0.312E-01
RMM: 3 -0.107393532885E+04 -0.15171E-02 -0.29621E-02 4231 0.135E-01 0.211E-01
RMM: 4 -0.107393620603E+04 -0.87718E-03 -0.64286E-03 3703 0.608E-02 0.150E-01
RMM: 5 -0.107393521190E+04 0.99413E-03 -0.12383E-03 3113 0.311E-02 0.597E-02
RMM: 6 -0.107393518970E+04 0.22198E-04 -0.19359E-04 2689 0.174E-02
165 T= 707. E= -.10761564E+04 F= -.10739352E+04 E0= -.10739079E+04 EK= 0.14156E+02 SP= -.16E+02 SK= 0.60E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107333032761E+04 0.60488E+00 -0.14344E+00 3555 0.126E+00 0.333E-01
RMM: 2 -0.107334054788E+04 -0.10220E-01 -0.12723E-01 4162 0.351E-01 0.270E-01
RMM: 3 -0.107334259864E+04 -0.20508E-02 -0.27902E-02 4241 0.131E-01 0.225E-01
RMM: 4 -0.107334238012E+04 0.21852E-03 -0.44817E-03 3626 0.530E-02 0.153E-01
RMM: 5 -0.107334213424E+04 0.24588E-03 -0.16170E-03 3079 0.329E-02 0.471E-02
RMM: 6 -0.107334212714E+04 0.71007E-05 -0.24011E-04 2876 0.185E-02
166 T= 675. E= -.10761321E+04 F= -.10733421E+04 E0= -.10733147E+04 EK= 0.13523E+02 SP= -.16E+02 SK= 0.49E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107275350086E+04 0.58863E+00 -0.15942E+00 3589 0.130E+00 0.382E-01
RMM: 2 -0.107276396454E+04 -0.10464E-01 -0.13720E-01 4160 0.359E-01 0.301E-01
RMM: 3 -0.107276627996E+04 -0.23154E-02 -0.30230E-02 4286 0.136E-01 0.246E-01
RMM: 4 -0.107276574039E+04 0.53957E-03 -0.51675E-03 3606 0.573E-02 0.140E-01
RMM: 5 -0.107276557596E+04 0.16442E-03 -0.10400E-03 3125 0.295E-02 0.518E-02
RMM: 6 -0.107276562652E+04 -0.50558E-04 -0.32783E-04 2744 0.181E-02
167 T= 646. E= -.10760969E+04 F= -.10727656E+04 E0= -.10727382E+04 EK= 0.12933E+02 SP= -.16E+02 SK= 0.20E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107263508388E+04 0.13049E+00 -0.14299E+00 3612 0.124E+00 0.355E-01
RMM: 2 -0.107264568045E+04 -0.10597E-01 -0.12786E-01 4155 0.339E-01 0.300E-01
RMM: 3 -0.107264766061E+04 -0.19802E-02 -0.29021E-02 4291 0.129E-01 0.274E-01
RMM: 4 -0.107264694855E+04 0.71206E-03 -0.41463E-03 3479 0.518E-02 0.172E-01
RMM: 5 -0.107264699681E+04 -0.48261E-04 -0.30923E-03 3021 0.378E-02 0.537E-02
RMM: 6 -0.107264700574E+04 -0.89360E-05 -0.45202E-04 2952 0.208E-02
168 T= 638. E= -.10761020E+04 F= -.10726470E+04 E0= -.10726195E+04 EK= 0.12789E+02 SP= -.16E+02 SK= 0.71E-04
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107291497442E+04 -0.26798E+00 -0.10504E+00 3607 0.108E+00 0.277E-01
RMM: 2 -0.107292321498E+04 -0.82406E-02 -0.97584E-02 4169 0.294E-01 0.232E-01
RMM: 3 -0.107292474367E+04 -0.15287E-02 -0.21446E-02 4219 0.111E-01 0.209E-01
RMM: 4 -0.107292436743E+04 0.37624E-03 -0.26932E-03 3486 0.437E-02 0.144E-01
RMM: 5 -0.107292430573E+04 0.61699E-04 -0.21068E-03 2948 0.330E-02 0.396E-02
RMM: 6 -0.107292431107E+04 -0.53397E-05 -0.18509E-04 2760 0.187E-02
169 T= 651. E= -.10761249E+04 F= -.10729243E+04 E0= -.10728966E+04 EK= 0.13051E+02 SP= -.16E+02 SK= 0.68E-03
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107326006409E+04 -0.33576E+00 -0.11516E+00 3571 0.112E+00 0.315E-01
RMM: 2 -0.107326875843E+04 -0.86943E-02 -0.10281E-01 4160 0.302E-01 0.261E-01
RMM: 3 -0.107327041362E+04 -0.16552E-02 -0.22529E-02 4276 0.114E-01 0.226E-01
RMM: 4 -0.107326999147E+04 0.42215E-03 -0.32597E-03 3475 0.463E-02 0.144E-01
RMM: 5 -0.107326998269E+04 0.87782E-05 -0.23617E-03 2987 0.350E-02 0.475E-02
RMM: 6 -0.107326996815E+04 0.14543E-04 -0.25164E-04 2784 0.192E-02
170 T= 670. E= -.10761393E+04 F= -.10732700E+04 E0= -.10732426E+04 EK= 0.13415E+02 SP= -.16E+02 SK= 0.26E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107346828164E+04 -0.19830E+00 -0.11796E+00 3550 0.115E+00 0.287E-01
RMM: 2 -0.107347819403E+04 -0.99124E-02 -0.11274E-01 4174 0.315E-01 0.247E-01
RMM: 3 -0.107347981398E+04 -0.16200E-02 -0.22729E-02 4287 0.116E-01 0.224E-01
RMM: 4 -0.107347950405E+04 0.30993E-03 -0.29191E-03 3548 0.445E-02 0.167E-01
RMM: 5 -0.107347949114E+04 0.12913E-04 -0.41320E-03 2999 0.416E-02 0.541E-02
RMM: 6 -0.107347947833E+04 0.12806E-04 -0.43892E-04 2894 0.225E-02
171 T= 682. E= -.10761449E+04 F= -.10734795E+04 E0= -.10734522E+04 EK= 0.13668E+02 SP= -.16E+02 SK= 0.45E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107351190457E+04 -0.32413E-01 -0.12502E+00 3578 0.119E+00 0.282E-01
RMM: 2 -0.107352256583E+04 -0.10661E-01 -0.12129E-01 4176 0.327E-01 0.226E-01
RMM: 3 -0.107352450889E+04 -0.19431E-02 -0.25596E-02 4302 0.123E-01 0.206E-01
RMM: 4 -0.107352427265E+04 0.23624E-03 -0.32053E-03 3606 0.466E-02 0.150E-01
RMM: 5 -0.107352430990E+04 -0.37244E-04 -0.20879E-03 3012 0.349E-02 0.444E-02
RMM: 6 -0.107352432964E+04 -0.19747E-04 -0.52442E-04 3078 0.214E-02
172 T= 688. E= -.10761355E+04 F= -.10735243E+04 E0= -.10734969E+04 EK= 0.13782E+02 SP= -.16E+02 SK= 0.61E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107358877716E+04 -0.64467E-01 -0.15349E+00 3590 0.129E+00 0.334E-01
RMM: 2 -0.107360017907E+04 -0.11402E-01 -0.13746E-01 4179 0.350E-01 0.287E-01
RMM: 3 -0.107360254125E+04 -0.23622E-02 -0.31950E-02 4282 0.132E-01 0.264E-01
RMM: 4 -0.107360213752E+04 0.40372E-03 -0.42917E-03 3576 0.513E-02 0.181E-01
RMM: 5 -0.107360213440E+04 0.31185E-05 -0.22106E-03 3032 0.359E-02 0.491E-02
RMM: 6 -0.107360218272E+04 -0.48316E-04 -0.44874E-04 3056 0.212E-02
173 T= 696. E= -.10761252E+04 F= -.10736022E+04 E0= -.10735747E+04 EK= 0.13938E+02 SP= -.16E+02 SK= 0.72E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107387430349E+04 -0.27217E+00 -0.14623E+00 3578 0.124E+00 0.349E-01
RMM: 2 -0.107388512616E+04 -0.10823E-01 -0.13021E-01 4160 0.336E-01 0.298E-01
RMM: 3 -0.107388719883E+04 -0.20727E-02 -0.29522E-02 4247 0.126E-01 0.246E-01
RMM: 4 -0.107388713575E+04 0.63084E-04 -0.52187E-03 3502 0.554E-02 0.146E-01
RMM: 5 -0.107388694670E+04 0.18905E-03 -0.19716E-03 3098 0.350E-02 0.524E-02
RMM: 6 -0.107388691172E+04 0.34983E-04 -0.18477E-04 2505 0.175E-02
174 T= 712. E= -.10761479E+04 F= -.10738869E+04 E0= -.10738592E+04 EK= 0.14272E+02 SP= -.17E+02 SK= 0.71E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107412009647E+04 -0.23315E+00 -0.13961E+00 3571 0.122E+00 0.356E-01
RMM: 2 -0.107412986471E+04 -0.97682E-02 -0.11815E-01 4140 0.330E-01 0.301E-01
RMM: 3 -0.107413163749E+04 -0.17728E-02 -0.29381E-02 4263 0.127E-01 0.277E-01
RMM: 4 -0.107413100167E+04 0.63582E-03 -0.44478E-03 3435 0.521E-02 0.153E-01
RMM: 5 -0.107413115080E+04 -0.14914E-03 -0.17978E-03 3099 0.323E-02 0.524E-02
RMM: 6 -0.107413115526E+04 -0.44512E-05 -0.30850E-04 2653 0.182E-02
175 T= 727. E= -.10761658E+04 F= -.10741312E+04 E0= -.10741039E+04 EK= 0.14568E+02 SP= -.17E+02 SK= 0.55E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107410989912E+04 0.21252E-01 -0.17419E+00 3526 0.133E+00 0.415E-01
RMM: 2 -0.107412070982E+04 -0.10811E-01 -0.14292E-01 4148 0.361E-01 0.344E-01
RMM: 3 -0.107412292518E+04 -0.22154E-02 -0.34219E-02 4265 0.139E-01 0.308E-01
RMM: 4 -0.107412182591E+04 0.10993E-02 -0.61195E-03 3478 0.595E-02 0.167E-01
RMM: 5 -0.107412187940E+04 -0.53499E-04 -0.23775E-03 3140 0.356E-02 0.628E-02
RMM: 6 -0.107412194089E+04 -0.61487E-04 -0.40886E-04 2810 0.201E-02
176 T= 730. E= -.10761576E+04 F= -.10741219E+04 E0= -.10740953E+04 EK= 0.14625E+02 SP= -.17E+02 SK= 0.35E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107393248362E+04 0.18940E+00 -0.17223E+00 3613 0.135E+00 0.393E-01
RMM: 2 -0.107394468718E+04 -0.12204E-01 -0.15136E-01 4151 0.368E-01 0.323E-01
RMM: 3 -0.107394696081E+04 -0.22736E-02 -0.34426E-02 4269 0.141E-01 0.252E-01
RMM: 4 -0.107394690180E+04 0.59003E-04 -0.61986E-03 3584 0.611E-02 0.159E-01
RMM: 5 -0.107394649290E+04 0.40891E-03 -0.20492E-03 3156 0.364E-02 0.597E-02
RMM: 6 -0.107394652028E+04 -0.27381E-04 -0.35937E-04 2820 0.194E-02
177 T= 723. E= -.10761601E+04 F= -.10739465E+04 E0= -.10739198E+04 EK= 0.14491E+02 SP= -.17E+02 SK= 0.20E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107359812998E+04 0.34836E+00 -0.13922E+00 3633 0.123E+00 0.322E-01
RMM: 2 -0.107360907104E+04 -0.10941E-01 -0.12452E-01 4159 0.337E-01 0.274E-01
RMM: 3 -0.107361122048E+04 -0.21494E-02 -0.30143E-02 4321 0.129E-01 0.253E-01
RMM: 4 -0.107361073742E+04 0.48306E-03 -0.37587E-03 3472 0.494E-02 0.150E-01
RMM: 5 -0.107361085193E+04 -0.11451E-03 -0.22405E-03 3013 0.356E-02 0.439E-02
RMM: 6 -0.107361081281E+04 0.39119E-04 -0.40487E-04 3006 0.200E-02
178 T= 709. E= -.10761482E+04 F= -.10736108E+04 E0= -.10735839E+04 EK= 0.14200E+02 SP= -.17E+02 SK= 0.14E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107327498047E+04 0.33587E+00 -0.16343E+00 3498 0.131E+00 0.384E-01
RMM: 2 -0.107328547985E+04 -0.10499E-01 -0.13460E-01 4140 0.366E-01 0.324E-01
RMM: 3 -0.107328772771E+04 -0.22479E-02 -0.31969E-02 4348 0.136E-01 0.287E-01
RMM: 4 -0.107328697141E+04 0.75631E-03 -0.50774E-03 3482 0.572E-02 0.152E-01
RMM: 5 -0.107328703206E+04 -0.60653E-04 -0.21507E-03 3131 0.355E-02 0.526E-02
RMM: 6 -0.107328702613E+04 0.59305E-05 -0.34910E-04 2897 0.194E-02
179 T= 695. E= -.10761233E+04 F= -.10732870E+04 E0= -.10732602E+04 EK= 0.13931E+02 SP= -.17E+02 SK= 0.14E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107327434679E+04 0.12685E-01 -0.14299E+00 3562 0.125E+00 0.310E-01
RMM: 2 -0.107328451215E+04 -0.10165E-01 -0.12427E-01 4133 0.353E-01 0.272E-01
RMM: 3 -0.107328654213E+04 -0.20300E-02 -0.28321E-02 4300 0.131E-01 0.240E-01
RMM: 4 -0.107328641948E+04 0.12265E-03 -0.43777E-03 3594 0.522E-02 0.169E-01
RMM: 5 -0.107328628091E+04 0.13857E-03 -0.37552E-03 3082 0.432E-02 0.604E-02
RMM: 6 -0.107328618661E+04 0.94308E-04 -0.24314E-04 2758 0.212E-02
180 T= 697. E= -.10761293E+04 F= -.10732862E+04 E0= -.10732597E+04 EK= 0.13957E+02 SP= -.17E+02 SK= 0.18E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107353927522E+04 -0.25299E+00 -0.11972E+00 3629 0.115E+00 0.298E-01
RMM: 2 -0.107354856888E+04 -0.92937E-02 -0.10670E-01 4168 0.318E-01 0.262E-01
RMM: 3 -0.107354988098E+04 -0.13121E-02 -0.25457E-02 4299 0.122E-01 0.244E-01
RMM: 4 -0.107354948839E+04 0.39259E-03 -0.33573E-03 3522 0.457E-02 0.173E-01
RMM: 5 -0.107354950193E+04 -0.13537E-04 -0.23157E-03 3003 0.355E-02 0.465E-02
RMM: 6 -0.107354953896E+04 -0.37025E-04 -0.45110E-04 3134 0.216E-02
181 T= 711. E= -.10761480E+04 F= -.10735495E+04 E0= -.10735239E+04 EK= 0.14239E+02 SP= -.17E+02 SK= 0.17E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107380584126E+04 -0.25634E+00 -0.11611E+00 3571 0.113E+00 0.306E-01
RMM: 2 -0.107381501387E+04 -0.91726E-02 -0.10542E-01 4164 0.312E-01 0.260E-01
RMM: 3 -0.107381637823E+04 -0.13644E-02 -0.24076E-02 4254 0.119E-01 0.240E-01
RMM: 4 -0.107381582978E+04 0.54845E-03 -0.30383E-03 3470 0.459E-02 0.158E-01
RMM: 5 -0.107381587703E+04 -0.47250E-04 -0.30357E-03 2969 0.371E-02 0.438E-02
RMM: 6 -0.107381588881E+04 -0.11775E-04 -0.32848E-04 3040 0.210E-02
182 T= 725. E= -.10761606E+04 F= -.10738159E+04 E0= -.10737903E+04 EK= 0.14526E+02 SP= -.17E+02 SK= 0.11E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107390914170E+04 -0.93265E-01 -0.12143E+00 3606 0.115E+00 0.291E-01
RMM: 2 -0.107391871376E+04 -0.95721E-02 -0.11168E-01 4156 0.317E-01 0.243E-01
RMM: 3 -0.107392058385E+04 -0.18701E-02 -0.24820E-02 4257 0.118E-01 0.204E-01
RMM: 4 -0.107392045854E+04 0.12532E-03 -0.38203E-03 3531 0.483E-02 0.132E-01
RMM: 5 -0.107392038622E+04 0.72313E-04 -0.21058E-03 3082 0.338E-02 0.463E-02
RMM: 6 -0.107392036002E+04 0.26203E-04 -0.32759E-04 2849 0.185E-02
183 T= 731. E= -.10761633E+04 F= -.10739204E+04 E0= -.10738944E+04 EK= 0.14650E+02 SP= -.17E+02 SK= 0.32E-03
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107387791479E+04 0.42471E-01 -0.13662E+00 3621 0.119E+00 0.307E-01
RMM: 2 -0.107388832076E+04 -0.10406E-01 -0.12431E-01 4142 0.329E-01 0.257E-01
RMM: 3 -0.107389031111E+04 -0.19903E-02 -0.27464E-02 4285 0.124E-01 0.225E-01
RMM: 4 -0.107389004843E+04 0.26267E-03 -0.45324E-03 3540 0.508E-02 0.136E-01
RMM: 5 -0.107389003781E+04 0.10620E-04 -0.14748E-03 3118 0.301E-02 0.436E-02
RMM: 6 -0.107389010836E+04 -0.70548E-04 -0.46578E-04 2709 0.177E-02
184 T= 731. E= -.10761480E+04 F= -.10738901E+04 E0= -.10738640E+04 EK= 0.14644E+02 SP= -.17E+02 SK= 0.17E-05
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107400471609E+04 -0.11468E+00 -0.17769E+00 3555 0.129E+00 0.452E-01
RMM: 2 -0.107401482266E+04 -0.10107E-01 -0.14569E-01 4117 0.351E-01 0.361E-01
RMM: 3 -0.107401688105E+04 -0.20584E-02 -0.32130E-02 4315 0.135E-01 0.264E-01
RMM: 4 -0.107401640544E+04 0.47561E-03 -0.77025E-03 3516 0.639E-02 0.127E-01
RMM: 5 -0.107401609147E+04 0.31397E-03 -0.12476E-03 3128 0.294E-02 0.657E-02
RMM: 6 -0.107401620643E+04 -0.11496E-03 -0.63591E-04 2835 0.187E-02 0.414E-02
RMM: 7 -0.107401611132E+04 0.95113E-04 -0.17537E-04 2134 0.126E-02
185 T= 737. E= -.10761380E+04 F= -.10740161E+04 E0= -.10739902E+04 EK= 0.14773E+02 SP= -.17E+02 SK= 0.29E-03
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107443977220E+04 -0.42357E+00 -0.14369E+00 3603 0.120E+00 0.388E-01
RMM: 2 -0.107444829619E+04 -0.85240E-02 -0.11981E-01 4102 0.323E-01 0.304E-01
RMM: 3 -0.107444982447E+04 -0.15283E-02 -0.28059E-02 4110 0.124E-01 0.176E-01
RMM: 4 -0.107445037635E+04 -0.55188E-03 -0.54569E-03 3610 0.553E-02 0.127E-01
RMM: 5 -0.107444974980E+04 0.62656E-03 -0.10125E-03 3023 0.278E-02 0.607E-02
RMM: 6 -0.107444979556E+04 -0.45765E-04 -0.41162E-04 2725 0.175E-02
186 T= 756. E= -.10761690E+04 F= -.10744498E+04 E0= -.10744239E+04 EK= 0.15152E+02 SP= -.17E+02 SK= 0.19E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107479720519E+04 -0.34746E+00 -0.15978E+00 3539 0.126E+00 0.430E-01
RMM: 2 -0.107480649725E+04 -0.92921E-02 -0.12951E-01 4140 0.338E-01 0.344E-01
RMM: 3 -0.107480794855E+04 -0.14513E-02 -0.28909E-02 4170 0.129E-01 0.220E-01
RMM: 4 -0.107480825965E+04 -0.31109E-03 -0.74168E-03 3593 0.620E-02 0.140E-01
RMM: 5 -0.107480753086E+04 0.72878E-03 -0.11243E-03 3085 0.292E-02 0.677E-02
RMM: 6 -0.107480759269E+04 -0.61829E-04 -0.58885E-04 2846 0.191E-02
187 T= 770. E= -.10761941E+04 F= -.10748076E+04 E0= -.10747818E+04 EK= 0.15431E+02 SP= -.17E+02 SK= 0.62E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107472727963E+04 0.80251E-01 -0.17452E+00 3538 0.135E+00 0.409E-01
RMM: 2 -0.107473775201E+04 -0.10472E-01 -0.13991E-01 4129 0.355E-01 0.336E-01
RMM: 3 -0.107473946177E+04 -0.17098E-02 -0.32103E-02 4223 0.136E-01 0.249E-01
RMM: 4 -0.107473943857E+04 0.23193E-04 -0.73694E-03 3577 0.639E-02 0.140E-01
RMM: 5 -0.107473904917E+04 0.38940E-03 -0.16604E-03 3201 0.321E-02 0.626E-02
RMM: 6 -0.107473909853E+04 -0.49354E-04 -0.45939E-04 2535 0.174E-02
188 T= 762. E= -.10761926E+04 F= -.10747391E+04 E0= -.10747133E+04 EK= 0.15274E+02 SP= -.17E+02 SK= 0.14E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107424737669E+04 0.49167E+00 -0.15569E+00 3535 0.129E+00 0.332E-01
RMM: 2 -0.107425839153E+04 -0.11015E-01 -0.13078E-01 4188 0.347E-01 0.286E-01
RMM: 3 -0.107426010067E+04 -0.17091E-02 -0.27991E-02 4244 0.129E-01 0.259E-01
RMM: 4 -0.107425960082E+04 0.49985E-03 -0.44059E-03 3490 0.524E-02 0.155E-01
RMM: 5 -0.107425974137E+04 -0.14055E-03 -0.26397E-03 3040 0.361E-02 0.503E-02
RMM: 6 -0.107425976776E+04 -0.26382E-04 -0.63593E-04 3003 0.205E-02
189 T= 734. E= -.10761642E+04 F= -.10742598E+04 E0= -.10742341E+04 EK= 0.14705E+02 SP= -.17E+02 SK= 0.20E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107375546492E+04 0.50428E+00 -0.16081E+00 3542 0.130E+00 0.369E-01
RMM: 2 -0.107376594550E+04 -0.10481E-01 -0.13102E-01 4152 0.347E-01 0.310E-01
RMM: 3 -0.107376815632E+04 -0.22108E-02 -0.30430E-02 4260 0.130E-01 0.270E-01
RMM: 4 -0.107376766757E+04 0.48875E-03 -0.52340E-03 3439 0.560E-02 0.133E-01
RMM: 5 -0.107376772113E+04 -0.53557E-04 -0.15634E-03 3157 0.307E-02 0.452E-02
RMM: 6 -0.107376775018E+04 -0.29054E-04 -0.37164E-04 2409 0.167E-02
190 T= 705. E= -.10761300E+04 F= -.10737678E+04 E0= -.10737420E+04 EK= 0.14117E+02 SP= -.17E+02 SK= 0.23E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107369355913E+04 0.74162E-01 -0.13773E+00 3613 0.122E+00 0.334E-01
RMM: 2 -0.107370381643E+04 -0.10257E-01 -0.12279E-01 4156 0.327E-01 0.293E-01
RMM: 3 -0.107370541613E+04 -0.15997E-02 -0.25495E-02 4219 0.122E-01 0.238E-01
RMM: 4 -0.107370552430E+04 -0.10816E-03 -0.56446E-03 3458 0.562E-02 0.130E-01
RMM: 5 -0.107370529131E+04 0.23299E-03 -0.21926E-03 3205 0.349E-02 0.555E-02
RMM: 6 -0.107370526032E+04 0.30990E-04 -0.42143E-04 2675 0.176E-02
191 T= 695. E= -.10761374E+04 F= -.10737053E+04 E0= -.10736794E+04 EK= 0.13920E+02 SP= -.16E+02 SK= 0.23E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107396549568E+04 -0.26020E+00 -0.10771E+00 3591 0.112E+00 0.268E-01
RMM: 2 -0.107397446389E+04 -0.89682E-02 -0.99667E-02 4138 0.302E-01 0.238E-01
RMM: 3 -0.107397588922E+04 -0.14253E-02 -0.22153E-02 4198 0.113E-01 0.222E-01
RMM: 4 -0.107397566067E+04 0.22855E-03 -0.30806E-03 3470 0.437E-02 0.159E-01
RMM: 5 -0.107397579682E+04 -0.13615E-03 -0.29113E-03 2959 0.364E-02 0.451E-02
RMM: 6 -0.107397582802E+04 -0.31202E-04 -0.74195E-04 3091 0.218E-02
192 T= 701. E= -.10761646E+04 F= -.10739758E+04 E0= -.10739499E+04 EK= 0.14041E+02 SP= -.16E+02 SK= 0.22E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107418938418E+04 -0.21359E+00 -0.11818E+00 3526 0.116E+00 0.301E-01
RMM: 2 -0.107419849697E+04 -0.91128E-02 -0.10607E-01 4129 0.315E-01 0.254E-01
RMM: 3 -0.107420017333E+04 -0.16764E-02 -0.23646E-02 4226 0.118E-01 0.229E-01
RMM: 4 -0.107419986348E+04 0.30986E-03 -0.36879E-03 3481 0.471E-02 0.153E-01
RMM: 5 -0.107420000808E+04 -0.14461E-03 -0.34579E-03 3002 0.382E-02 0.503E-02
RMM: 6 -0.107420000798E+04 0.10789E-06 -0.55826E-04 2918 0.216E-02
193 T= 705. E= -.10761772E+04 F= -.10742000E+04 E0= -.10741740E+04 EK= 0.14130E+02 SP= -.16E+02 SK= 0.22E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107419927799E+04 0.73010E-03 -0.12813E+00 3554 0.121E+00 0.291E-01
RMM: 2 -0.107420886224E+04 -0.95843E-02 -0.11332E-01 4142 0.331E-01 0.243E-01
RMM: 3 -0.107421070672E+04 -0.18445E-02 -0.24335E-02 4257 0.122E-01 0.201E-01
RMM: 4 -0.107421085325E+04 -0.14653E-03 -0.45760E-03 3600 0.507E-02 0.136E-01
RMM: 5 -0.107421070795E+04 0.14531E-03 -0.24775E-03 3062 0.358E-02 0.472E-02
RMM: 6 -0.107421070907E+04 -0.11275E-05 -0.44830E-04 2856 0.193E-02
194 T= 700. E= -.10761710E+04 F= -.10742107E+04 E0= -.10741844E+04 EK= 0.14023E+02 SP= -.16E+02 SK= 0.22E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107413223310E+04 0.78475E-01 -0.13665E+00 3591 0.123E+00 0.308E-01
RMM: 2 -0.107414229162E+04 -0.10059E-01 -0.11931E-01 4165 0.338E-01 0.250E-01
RMM: 3 -0.107414431861E+04 -0.20270E-02 -0.25947E-02 4287 0.126E-01 0.197E-01
RMM: 4 -0.107414440900E+04 -0.90395E-04 -0.47801E-03 3626 0.536E-02 0.115E-01
RMM: 5 -0.107414429885E+04 0.11015E-03 -0.12578E-03 3104 0.294E-02 0.376E-02
RMM: 6 -0.107414433483E+04 -0.35972E-04 -0.34021E-04 2376 0.161E-02
195 T= 692. E= -.10761506E+04 F= -.10741443E+04 E0= -.10741178E+04 EK= 0.13856E+02 SP= -.16E+02 SK= 0.20E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107431902039E+04 -0.17472E+00 -0.15831E+00 3590 0.127E+00 0.393E-01
RMM: 2 -0.107432899283E+04 -0.99724E-02 -0.13241E-01 4163 0.341E-01 0.324E-01
RMM: 3 -0.107433069723E+04 -0.17044E-02 -0.28618E-02 4221 0.128E-01 0.236E-01
RMM: 4 -0.107433067262E+04 0.24603E-04 -0.74781E-03 3511 0.620E-02 0.115E-01
RMM: 5 -0.107433038877E+04 0.28386E-03 -0.13339E-03 3153 0.301E-02 0.667E-02
RMM: 6 -0.107433043493E+04 -0.46163E-04 -0.47412E-04 2607 0.178E-02
196 T= 695. E= -.10761491E+04 F= -.10743304E+04 E0= -.10743036E+04 EK= 0.13929E+02 SP= -.16E+02 SK= 0.19E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107479915202E+04 -0.46876E+00 -0.13832E+00 3576 0.120E+00 0.379E-01
RMM: 2 -0.107480780559E+04 -0.86536E-02 -0.11607E-01 4125 0.321E-01 0.308E-01
RMM: 3 -0.107480930909E+04 -0.15035E-02 -0.26844E-02 4148 0.122E-01 0.188E-01
RMM: 4 -0.107480998298E+04 -0.67389E-03 -0.63534E-03 3579 0.559E-02 0.128E-01
RMM: 5 -0.107480925489E+04 0.72808E-03 -0.97548E-04 2993 0.275E-02 0.605E-02
RMM: 6 -0.107480932635E+04 -0.71456E-04 -0.52855E-04 2792 0.181E-02
197 T= 712. E= -.10761846E+04 F= -.10748093E+04 E0= -.10747822E+04 EK= 0.14259E+02 SP= -.16E+02 SK= 0.19E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107514662502E+04 -0.33737E+00 -0.14522E+00 3533 0.123E+00 0.368E-01
RMM: 2 -0.107515544704E+04 -0.88220E-02 -0.11770E-01 4131 0.334E-01 0.294E-01
RMM: 3 -0.107515712515E+04 -0.16781E-02 -0.27058E-02 4166 0.126E-01 0.192E-01
RMM: 4 -0.107515757047E+04 -0.44532E-03 -0.61653E-03 3602 0.579E-02 0.127E-01
RMM: 5 -0.107515701285E+04 0.55762E-03 -0.99993E-04 3060 0.275E-02 0.562E-02
RMM: 6 -0.107515708656E+04 -0.73707E-04 -0.48760E-04 2694 0.177E-02
198 T= 722. E= -.10761994E+04 F= -.10751571E+04 E0= -.10751298E+04 EK= 0.14473E+02 SP= -.16E+02 SK= 0.21E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107516572517E+04 -0.87123E-02 -0.16838E+00 3549 0.133E+00 0.382E-01
RMM: 2 -0.107517617427E+04 -0.10449E-01 -0.13801E-01 4125 0.367E-01 0.316E-01
RMM: 3 -0.107517791439E+04 -0.17401E-02 -0.30351E-02 4218 0.136E-01 0.227E-01
RMM: 4 -0.107517849064E+04 -0.57625E-03 -0.75435E-03 3654 0.632E-02 0.140E-01
RMM: 5 -0.107517784359E+04 0.64705E-03 -0.14884E-03 3186 0.322E-02 0.572E-02
RMM: 6 -0.107517789316E+04 -0.49574E-04 -0.48360E-04 2703 0.177E-02
199 T= 717. E= -.10761903E+04 F= -.10751779E+04 E0= -.10751502E+04 EK= 0.14373E+02 SP= -.15E+02 SK= 0.24E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107499770154E+04 0.18014E+00 -0.15334E+00 3580 0.129E+00 0.335E-01
RMM: 2 -0.107500831997E+04 -0.10618E-01 -0.13124E-01 4159 0.358E-01 0.284E-01
RMM: 3 -0.107501040583E+04 -0.20859E-02 -0.29893E-02 4241 0.133E-01 0.244E-01
RMM: 4 -0.107501015367E+04 0.25215E-03 -0.52367E-03 3577 0.551E-02 0.150E-01
RMM: 5 -0.107501010447E+04 0.49205E-04 -0.21212E-03 3115 0.343E-02 0.485E-02
RMM: 6 -0.107501014576E+04 -0.41293E-04 -0.52295E-04 2931 0.195E-02
200 T= 703. E= -.10761760E+04 F= -.10750101E+04 E0= -.10749822E+04 EK= 0.14085E+02 SP= -.15E+02 SK= 0.26E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107487227201E+04 0.13783E+00 -0.14302E+00 3584 0.125E+00 0.331E-01
RMM: 2 -0.107488237878E+04 -0.10107E-01 -0.12414E-01 4147 0.347E-01 0.280E-01
RMM: 3 -0.107488441734E+04 -0.20386E-02 -0.28167E-02 4240 0.129E-01 0.235E-01
RMM: 4 -0.107488422101E+04 0.19633E-03 -0.50700E-03 3561 0.545E-02 0.134E-01
RMM: 5 -0.107488411809E+04 0.10292E-03 -0.19539E-03 3090 0.334E-02 0.439E-02
RMM: 6 -0.107488413969E+04 -0.21598E-04 -0.51161E-04 2799 0.184E-02
201 T= 691. E= -.10761614E+04 F= -.10748841E+04 E0= -.10748559E+04 EK= 0.13841E+02 SP= -.15E+02 SK= 0.25E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107499926279E+04 -0.11514E+00 -0.14094E+00 3596 0.124E+00 0.341E-01
RMM: 2 -0.107500924551E+04 -0.99827E-02 -0.12334E-01 4133 0.346E-01 0.292E-01
RMM: 3 -0.107501098561E+04 -0.17401E-02 -0.26675E-02 4246 0.128E-01 0.231E-01
RMM: 4 -0.107501128725E+04 -0.30164E-03 -0.59282E-03 3523 0.573E-02 0.132E-01
RMM: 5 -0.107501082577E+04 0.46148E-03 -0.24691E-03 3098 0.373E-02 0.577E-02
RMM: 6 -0.107501076661E+04 0.59163E-04 -0.45555E-04 2809 0.187E-02
202 T= 691. E= -.10761684E+04 F= -.10750108E+04 E0= -.10749822E+04 EK= 0.13835E+02 SP= -.15E+02 SK= 0.22E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107529291087E+04 -0.28209E+00 -0.11852E+00 3602 0.116E+00 0.277E-01
RMM: 2 -0.107530262721E+04 -0.97163E-02 -0.11097E-01 4169 0.326E-01 0.246E-01
RMM: 3 -0.107530409846E+04 -0.14713E-02 -0.23226E-02 4253 0.121E-01 0.234E-01
RMM: 4 -0.107530384307E+04 0.25540E-03 -0.31314E-03 3573 0.443E-02 0.188E-01
RMM: 5 -0.107530387560E+04 -0.32537E-04 -0.53864E-03 3067 0.462E-02 0.596E-02
RMM: 6 -0.107530388399E+04 -0.83866E-05 -0.10526E-03 3160 0.268E-02 0.619E-02
RMM: 7 -0.107530375662E+04 0.12737E-03 -0.99059E-05 2014 0.121E-02 0.414E-02
RMM: 8 -0.107530380292E+04 -0.46296E-04 -0.15673E-03 2735 0.227E-02 0.381E-02
RMM: 9 -0.107530372011E+04 0.82812E-04 -0.24627E-04 2207 0.132E-02
203 T= 698. E= -.10761897E+04 F= -.10753037E+04 E0= -.10752750E+04 EK= 0.13987E+02 SP= -.15E+02 SK= 0.21E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107547870947E+04 -0.17491E+00 -0.11772E+00 3560 0.115E+00 0.288E-01
RMM: 2 -0.107548772442E+04 -0.90150E-02 -0.10661E-01 4136 0.327E-01 0.234E-01
RMM: 3 -0.107548941976E+04 -0.16953E-02 -0.23304E-02 4250 0.121E-01 0.207E-01
RMM: 4 -0.107548920335E+04 0.21641E-03 -0.37887E-03 3623 0.474E-02 0.143E-01
RMM: 5 -0.107548918862E+04 0.14729E-04 -0.21112E-03 3016 0.333E-02 0.388E-02
RMM: 6 -0.107548923127E+04 -0.42654E-04 -0.56477E-04 3038 0.196E-02
204 T= 701. E= -.10761888E+04 F= -.10754892E+04 E0= -.10754603E+04 EK= 0.14055E+02 SP= -.15E+02 SK= 0.20E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107555098587E+04 -0.61797E-01 -0.13786E+00 3577 0.123E+00 0.343E-01
RMM: 2 -0.107556021036E+04 -0.92245E-02 -0.12016E-01 4159 0.353E-01 0.266E-01
RMM: 3 -0.107556194308E+04 -0.17327E-02 -0.25967E-02 4314 0.130E-01 0.190E-01
RMM: 4 -0.107556239877E+04 -0.45569E-03 -0.57362E-03 3737 0.563E-02 0.133E-01
RMM: 5 -0.107556188455E+04 0.51422E-03 -0.14185E-03 3083 0.311E-02 0.447E-02
RMM: 6 -0.107556193550E+04 -0.50955E-04 -0.50465E-04 2629 0.175E-02
205 T= 699. E= -.10761837E+04 F= -.10755619E+04 E0= -.10755326E+04 EK= 0.14015E+02 SP= -.15E+02 SK= 0.20E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107557915144E+04 -0.17267E-01 -0.12383E+00 3713 0.119E+00 0.273E-01
RMM: 2 -0.107558897742E+04 -0.98260E-02 -0.11496E-01 4158 0.332E-01 0.227E-01
RMM: 3 -0.107559090192E+04 -0.19245E-02 -0.25083E-02 4242 0.123E-01 0.190E-01
RMM: 4 -0.107559099674E+04 -0.94813E-04 -0.41635E-03 3641 0.503E-02 0.122E-01
RMM: 5 -0.107559092173E+04 0.75007E-04 -0.14827E-03 3121 0.311E-02 0.355E-02
RMM: 6 -0.107559096375E+04 -0.42023E-04 -0.39023E-04 2681 0.173E-02
206 T= 694. E= -.10761973E+04 F= -.10755910E+04 E0= -.10755614E+04 EK= 0.13914E+02 SP= -.15E+02 SK= 0.19E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107547362720E+04 0.11729E+00 -0.13349E+00 3627 0.118E+00 0.298E-01
RMM: 2 -0.107548288680E+04 -0.92596E-02 -0.11391E-01 4152 0.331E-01 0.242E-01
RMM: 3 -0.107548459447E+04 -0.17077E-02 -0.24937E-02 4206 0.123E-01 0.190E-01
RMM: 4 -0.107548465151E+04 -0.57040E-04 -0.49747E-03 3529 0.532E-02 0.113E-01
RMM: 5 -0.107548449742E+04 0.15409E-03 -0.10972E-03 3140 0.290E-02 0.417E-02
RMM: 6 -0.107548452602E+04 -0.28600E-04 -0.24290E-04 2224 0.157E-02
207 T= 684. E= -.10761857E+04 F= -.10754845E+04 E0= -.10754548E+04 EK= 0.13709E+02 SP= -.14E+02 SK= 0.17E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107543317885E+04 0.51319E-01 -0.16384E+00 3566 0.128E+00 0.413E-01
RMM: 2 -0.107544222227E+04 -0.90434E-02 -0.12925E-01 4138 0.358E-01 0.325E-01
RMM: 3 -0.107544389073E+04 -0.16685E-02 -0.28596E-02 4223 0.134E-01 0.215E-01
RMM: 4 -0.107544405047E+04 -0.15974E-03 -0.76307E-03 3629 0.618E-02 0.124E-01
RMM: 5 -0.107544355291E+04 0.49756E-03 -0.10928E-03 3132 0.292E-02 0.583E-02
RMM: 6 -0.107544362741E+04 -0.74499E-04 -0.59592E-04 2756 0.187E-02
208 T= 678. E= -.10761729E+04 F= -.10754436E+04 E0= -.10754138E+04 EK= 0.13581E+02 SP= -.14E+02 SK= 0.14E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107564118187E+04 -0.19763E+00 -0.12913E+00 3609 0.118E+00 0.323E-01
RMM: 2 -0.107564976035E+04 -0.85785E-02 -0.11094E-01 4146 0.327E-01 0.257E-01
RMM: 3 -0.107565148265E+04 -0.17223E-02 -0.25121E-02 4201 0.123E-01 0.174E-01
RMM: 4 -0.107565204138E+04 -0.55873E-03 -0.54686E-03 3618 0.525E-02 0.119E-01
RMM: 5 -0.107565151093E+04 0.53045E-03 -0.10335E-03 3013 0.272E-02 0.435E-02
RMM: 6 -0.107565155389E+04 -0.42958E-04 -0.45727E-04 2374 0.162E-02
209 T= 683. E= -.10761959E+04 F= -.10756516E+04 E0= -.10756215E+04 EK= 0.13678E+02 SP= -.14E+02 SK= 0.11E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107582156442E+04 -0.17005E+00 -0.14446E+00 3577 0.124E+00 0.366E-01
RMM: 2 -0.107583133525E+04 -0.97708E-02 -0.12443E-01 4147 0.339E-01 0.304E-01
RMM: 3 -0.107583292094E+04 -0.15857E-02 -0.27717E-02 4258 0.128E-01 0.231E-01
RMM: 4 -0.107583304131E+04 -0.12037E-03 -0.61706E-03 3511 0.584E-02 0.133E-01
RMM: 5 -0.107583266039E+04 0.38091E-03 -0.16359E-03 3195 0.325E-02 0.568E-02
RMM: 6 -0.107583267776E+04 -0.17366E-04 -0.40277E-04 2578 0.174E-02
210 T= 687. E= -.10762154E+04 F= -.10758327E+04 E0= -.10758026E+04 EK= 0.13761E+02 SP= -.14E+02 SK= 0.85E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107568957604E+04 0.14308E+00 -0.14346E+00 3568 0.125E+00 0.343E-01
RMM: 2 -0.107569933480E+04 -0.97588E-02 -0.12107E-01 4151 0.343E-01 0.288E-01
RMM: 3 -0.107570101490E+04 -0.16801E-02 -0.27046E-02 4273 0.129E-01 0.238E-01
RMM: 4 -0.107570086515E+04 0.14975E-03 -0.54305E-03 3575 0.561E-02 0.141E-01
RMM: 5 -0.107570071394E+04 0.15121E-03 -0.25537E-03 3051 0.371E-02 0.551E-02
RMM: 6 -0.107570065962E+04 0.54323E-04 -0.34281E-04 2531 0.185E-02
211 T= 677. E= -.10762152E+04 F= -.10757007E+04 E0= -.10756702E+04 EK= 0.13559E+02 SP= -.14E+02 SK= 0.63E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107524919375E+04 0.45152E+00 -0.13752E+00 3541 0.124E+00 0.297E-01
RMM: 2 -0.107525882755E+04 -0.96338E-02 -0.11645E-01 4160 0.347E-01 0.251E-01
RMM: 3 -0.107526065545E+04 -0.18279E-02 -0.26542E-02 4291 0.129E-01 0.228E-01
RMM: 4 -0.107526036195E+04 0.29350E-03 -0.41975E-03 3636 0.507E-02 0.150E-01
RMM: 5 -0.107526040382E+04 -0.41870E-04 -0.25641E-03 3036 0.356E-02 0.433E-02
RMM: 6 -0.107526042736E+04 -0.23546E-04 -0.69683E-04 3018 0.204E-02
212 T= 653. E= -.10761869E+04 F= -.10752604E+04 E0= -.10752299E+04 EK= 0.13091E+02 SP= -.14E+02 SK= 0.32E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107489612823E+04 0.36428E+00 -0.15256E+00 3569 0.129E+00 0.361E-01
RMM: 2 -0.107490652081E+04 -0.10393E-01 -0.13087E-01 4170 0.359E-01 0.304E-01
RMM: 3 -0.107490833928E+04 -0.18185E-02 -0.29084E-02 4303 0.134E-01 0.273E-01
RMM: 4 -0.107490775538E+04 0.58390E-03 -0.51385E-03 3546 0.557E-02 0.158E-01
RMM: 5 -0.107490780476E+04 -0.49381E-04 -0.23046E-03 3042 0.353E-02 0.484E-02
RMM: 6 -0.107490785942E+04 -0.54659E-04 -0.62532E-04 2915 0.196E-02
213 T= 635. E= -.10761602E+04 F= -.10749079E+04 E0= -.10748768E+04 EK= 0.12732E+02 SP= -.14E+02 SK= 0.49E-03
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107499850826E+04 -0.90704E-01 -0.12002E+00 3620 0.115E+00 0.308E-01
RMM: 2 -0.107500823734E+04 -0.97291E-02 -0.11387E-01 4186 0.321E-01 0.259E-01
RMM: 3 -0.107500987644E+04 -0.16391E-02 -0.23439E-02 4309 0.120E-01 0.221E-01
RMM: 4 -0.107500971968E+04 0.15676E-03 -0.37682E-03 3519 0.496E-02 0.142E-01
RMM: 5 -0.107500967179E+04 0.47891E-04 -0.22949E-03 3091 0.361E-02 0.485E-02
RMM: 6 -0.107500965802E+04 0.13773E-04 -0.42963E-04 2855 0.198E-02
214 T= 640. E= -.10761741E+04 F= -.10750097E+04 E0= -.10749786E+04 EK= 0.12819E+02 SP= -.14E+02 SK= 0.28E-03
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107539132645E+04 -0.38165E+00 -0.98169E-01 3597 0.105E+00 0.292E-01
RMM: 2 -0.107539877827E+04 -0.74518E-02 -0.90373E-02 4154 0.295E-01 0.237E-01
RMM: 3 -0.107540032817E+04 -0.15499E-02 -0.21266E-02 4286 0.113E-01 0.195E-01
RMM: 4 -0.107540019870E+04 0.12947E-03 -0.34691E-03 3476 0.470E-02 0.112E-01
RMM: 5 -0.107540016930E+04 0.29401E-04 -0.14578E-03 3036 0.298E-02 0.358E-02
RMM: 6 -0.107540019698E+04 -0.27673E-04 -0.36648E-04 2329 0.163E-02
215 T= 659. E= -.10762034E+04 F= -.10754002E+04 E0= -.10753689E+04 EK= 0.13207E+02 SP= -.14E+02 SK= 0.23E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107566579025E+04 -0.26562E+00 -0.10946E+00 3518 0.111E+00 0.297E-01
RMM: 2 -0.107567372877E+04 -0.79385E-02 -0.95317E-02 4161 0.309E-01 0.249E-01
RMM: 3 -0.107567512157E+04 -0.13928E-02 -0.20928E-02 4256 0.115E-01 0.215E-01
RMM: 4 -0.107567484300E+04 0.27857E-03 -0.41990E-03 3493 0.481E-02 0.130E-01
RMM: 5 -0.107567491827E+04 -0.75271E-04 -0.28649E-03 3020 0.355E-02 0.521E-02
RMM: 6 -0.107567490464E+04 0.13625E-04 -0.63010E-04 2809 0.198E-02
216 T= 675. E= -.10762150E+04 F= -.10756749E+04 E0= -.10756435E+04 EK= 0.13519E+02 SP= -.14E+02 SK= 0.49E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107565980778E+04 0.15110E-01 -0.12774E+00 3508 0.119E+00 0.283E-01
RMM: 2 -0.107566866448E+04 -0.88567E-02 -0.10782E-01 4158 0.334E-01 0.241E-01
RMM: 3 -0.107567019351E+04 -0.15290E-02 -0.22555E-02 4305 0.122E-01 0.209E-01
RMM: 4 -0.107567006323E+04 0.13028E-03 -0.43126E-03 3578 0.500E-02 0.141E-01
RMM: 5 -0.107567000857E+04 0.54665E-04 -0.27694E-03 3055 0.370E-02 0.482E-02
RMM: 6 -0.107567002486E+04 -0.16298E-04 -0.62784E-04 2979 0.204E-02
217 T= 678. E= -.10762092E+04 F= -.10756700E+04 E0= -.10756383E+04 EK= 0.13583E+02 SP= -.14E+02 SK= 0.73E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107551054106E+04 0.15947E+00 -0.12927E+00 3545 0.121E+00 0.263E-01
RMM: 2 -0.107551951060E+04 -0.89695E-02 -0.10803E-01 4147 0.344E-01 0.211E-01
RMM: 3 -0.107552130927E+04 -0.17987E-02 -0.22747E-02 4269 0.126E-01 0.174E-01
RMM: 4 -0.107552144822E+04 -0.13895E-03 -0.43683E-03 3648 0.515E-02 0.117E-01
RMM: 5 -0.107552135295E+04 0.95270E-04 -0.13529E-03 3074 0.310E-02 0.334E-02
RMM: 6 -0.107552139972E+04 -0.46766E-04 -0.50083E-04 2685 0.175E-02
218 T= 675. E= -.10761879E+04 F= -.10755214E+04 E0= -.10754896E+04 EK= 0.13530E+02 SP= -.14E+02 SK= 0.10E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107558138295E+04 -0.60030E-01 -0.15422E+00 3578 0.126E+00 0.403E-01
RMM: 2 -0.107559064390E+04 -0.92610E-02 -0.12541E-01 4144 0.351E-01 0.315E-01
RMM: 3 -0.107559230930E+04 -0.16654E-02 -0.26757E-02 4264 0.133E-01 0.205E-01
RMM: 4 -0.107559267136E+04 -0.36206E-03 -0.69452E-03 3692 0.613E-02 0.116E-01
RMM: 5 -0.107559222079E+04 0.45058E-03 -0.12619E-03 3043 0.289E-02 0.535E-02
RMM: 6 -0.107559229328E+04 -0.72491E-04 -0.69021E-04 2636 0.184E-02
219 T= 684. E= -.10761805E+04 F= -.10755923E+04 E0= -.10755600E+04 EK= 0.13696E+02 SP= -.14E+02 SK= 0.13E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107599465796E+04 -0.40244E+00 -0.10894E+00 3630 0.111E+00 0.311E-01
RMM: 2 -0.107600259049E+04 -0.79325E-02 -0.10223E-01 4152 0.305E-01 0.260E-01
RMM: 3 -0.107600379471E+04 -0.12042E-02 -0.22959E-02 4175 0.115E-01 0.169E-01
RMM: 4 -0.107600439697E+04 -0.60226E-03 -0.51047E-03 3547 0.508E-02 0.111E-01
RMM: 5 -0.107600388679E+04 0.51018E-03 -0.12248E-03 2960 0.264E-02 0.532E-02
RMM: 6 -0.107600393877E+04 -0.51982E-04 -0.59671E-04 2491 0.166E-02
220 T= 707. E= -.10762182E+04 F= -.10760039E+04 E0= -.10759711E+04 EK= 0.14170E+02 SP= -.14E+02 SK= 0.14E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107628019233E+04 -0.27631E+00 -0.11527E+00 3570 0.111E+00 0.347E-01
RMM: 2 -0.107628789444E+04 -0.77021E-02 -0.10075E-01 4134 0.301E-01 0.280E-01
RMM: 3 -0.107628905293E+04 -0.11585E-02 -0.22772E-02 4158 0.114E-01 0.174E-01
RMM: 4 -0.107628951196E+04 -0.45904E-03 -0.54577E-03 3500 0.526E-02 0.108E-01
RMM: 5 -0.107628903695E+04 0.47501E-03 -0.94511E-04 2992 0.265E-02 0.512E-02
RMM: 6 -0.107628909970E+04 -0.62745E-04 -0.56415E-04 2506 0.163E-02
221 T= 725. E= -.10762435E+04 F= -.10762891E+04 E0= -.10762562E+04 EK= 0.14530E+02 SP= -.14E+02 SK= 0.13E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107606880112E+04 0.22024E+00 -0.13494E+00 3523 0.121E+00 0.359E-01
RMM: 2 -0.107607732573E+04 -0.85246E-02 -0.11239E-01 4142 0.328E-01 0.292E-01
RMM: 3 -0.107607869129E+04 -0.13656E-02 -0.25704E-02 4251 0.124E-01 0.207E-01
RMM: 4 -0.107607898961E+04 -0.29833E-03 -0.60401E-03 3537 0.567E-02 0.127E-01
RMM: 5 -0.107607851917E+04 0.47044E-03 -0.15126E-03 3119 0.311E-02 0.542E-02
RMM: 6 -0.107607856291E+04 -0.43740E-04 -0.60034E-04 2503 0.171E-02
222 T= 719. E= -.10762402E+04 F= -.10760786E+04 E0= -.10760461E+04 EK= 0.14413E+02 SP= -.15E+02 SK= 0.10E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107542381874E+04 0.65470E+00 -0.12977E+00 3543 0.122E+00 0.297E-01
RMM: 2 -0.107543279739E+04 -0.89786E-02 -0.11063E-01 4134 0.345E-01 0.242E-01
RMM: 3 -0.107543470913E+04 -0.19117E-02 -0.25897E-02 4313 0.128E-01 0.188E-01
RMM: 4 -0.107543497459E+04 -0.26546E-03 -0.51105E-03 3666 0.540E-02 0.113E-01
RMM: 5 -0.107543474292E+04 0.23166E-03 -0.17064E-03 3072 0.309E-02 0.383E-02
RMM: 6 -0.107543477781E+04 -0.34885E-04 -0.68893E-04 2394 0.167E-02
223 T= 693. E= -.10762030E+04 F= -.10754348E+04 E0= -.10754020E+04 EK= 0.13887E+02 SP= -.15E+02 SK= 0.97E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107487904016E+04 0.55570E+00 -0.16005E+00 3540 0.133E+00 0.395E-01
RMM: 2 -0.107488860215E+04 -0.95620E-02 -0.12974E-01 4141 0.372E-01 0.320E-01
RMM: 3 -0.107489064171E+04 -0.20396E-02 -0.30806E-02 4356 0.142E-01 0.243E-01
RMM: 4 -0.107489050107E+04 0.14064E-03 -0.67671E-03 3678 0.632E-02 0.127E-01
RMM: 5 -0.107489027108E+04 0.22999E-03 -0.14806E-03 3241 0.311E-02 0.563E-02
RMM: 6 -0.107489032598E+04 -0.54905E-04 -0.70163E-04 2562 0.184E-02
224 T= 672. E= -.10761706E+04 F= -.10748903E+04 E0= -.10748570E+04 EK= 0.13456E+02 SP= -.15E+02 SK= 0.12E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107485504968E+04 0.35221E-01 -0.13200E+00 3644 0.123E+00 0.326E-01
RMM: 2 -0.107486400915E+04 -0.89595E-02 -0.11215E-01 4164 0.330E-01 0.273E-01
RMM: 3 -0.107486576825E+04 -0.17591E-02 -0.25657E-02 4250 0.124E-01 0.213E-01
RMM: 4 -0.107486590804E+04 -0.13979E-03 -0.56957E-03 3568 0.549E-02 0.121E-01
RMM: 5 -0.107486572383E+04 0.18420E-03 -0.17941E-03 3167 0.312E-02 0.465E-02
RMM: 6 -0.107486575506E+04 -0.31228E-04 -0.70436E-04 2511 0.172E-02
225 T= 674. E= -.10761926E+04 F= -.10748658E+04 E0= -.10748318E+04 EK= 0.13506E+02 SP= -.15E+02 SK= 0.17E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107507203055E+04 -0.20631E+00 -0.11759E+00 3643 0.114E+00 0.284E-01
RMM: 2 -0.107508034941E+04 -0.83189E-02 -0.10218E-01 4174 0.311E-01 0.230E-01
RMM: 3 -0.107508202105E+04 -0.16716E-02 -0.23348E-02 4242 0.117E-01 0.170E-01
RMM: 4 -0.107508237269E+04 -0.35164E-03 -0.54288E-03 3555 0.515E-02 0.100E-01
RMM: 5 -0.107508225600E+04 0.11668E-03 -0.19431E-03 3130 0.276E-02 0.378E-02
RMM: 6 -0.107508233806E+04 -0.82051E-04 -0.10008E-03 2213 0.158E-02 0.182E-02
RMM: 7 -0.107508240373E+04 -0.65677E-04 -0.68003E-04 1921 0.121E-02
226 T= 689. E= -.10762178E+04 F= -.10750824E+04 E0= -.10750488E+04 EK= 0.13808E+02 SP= -.15E+02 SK= 0.20E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107516278568E+04 -0.80448E-01 -0.12920E+00 3538 0.120E+00 0.290E-01
RMM: 2 -0.107517150113E+04 -0.87154E-02 -0.10823E-01 4167 0.332E-01 0.245E-01
RMM: 3 -0.107517307152E+04 -0.15704E-02 -0.23574E-02 4325 0.122E-01 0.208E-01
RMM: 4 -0.107517306834E+04 0.31775E-05 -0.56771E-03 3650 0.515E-02 0.135E-01
RMM: 5 -0.107517306440E+04 0.39386E-05 -0.34627E-03 3074 0.359E-02 0.457E-02
RMM: 6 -0.107517314197E+04 -0.77572E-04 -0.12508E-03 2682 0.196E-02 0.343E-02
RMM: 7 -0.107517319667E+04 -0.54696E-04 -0.93207E-04 2106 0.127E-02
227 T= 700. E= -.10762188E+04 F= -.10751732E+04 E0= -.10751396E+04 EK= 0.14017E+02 SP= -.15E+02 SK= 0.21E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107508758727E+04 0.85555E-01 -0.13120E+00 3531 0.123E+00 0.283E-01
RMM: 2 -0.107509650032E+04 -0.89131E-02 -0.11190E-01 4153 0.346E-01 0.239E-01
RMM: 3 -0.107509785302E+04 -0.13527E-02 -0.22779E-02 4312 0.125E-01 0.188E-01
RMM: 4 -0.107509818157E+04 -0.32855E-03 -0.66476E-03 3669 0.565E-02 0.115E-01
RMM: 5 -0.107509793260E+04 0.24897E-03 -0.26124E-03 3150 0.335E-02 0.472E-02
RMM: 6 -0.107509797408E+04 -0.41479E-04 -0.10823E-03 2585 0.180E-02 0.303E-02
RMM: 7 -0.107509805210E+04 -0.78021E-04 -0.92166E-04 2389 0.148E-02
228 T= 702. E= -.10762161E+04 F= -.10750981E+04 E0= -.10750640E+04 EK= 0.14067E+02 SP= -.15E+02 SK= 0.22E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107491435895E+04 0.18362E+00 -0.11432E+00 3533 0.117E+00 0.248E-01
RMM: 2 -0.107492296951E+04 -0.86106E-02 -0.10242E-01 4142 0.335E-01 0.191E-01
RMM: 3 -0.107492479306E+04 -0.18236E-02 -0.22719E-02 4295 0.123E-01 0.148E-01
RMM: 4 -0.107492527153E+04 -0.47847E-03 -0.54698E-03 3782 0.519E-02 0.107E-01
RMM: 5 -0.107492509241E+04 0.17911E-03 -0.19576E-03 3075 0.282E-02 0.337E-02
RMM: 6 -0.107492517737E+04 -0.84962E-04 -0.98669E-04 2356 0.165E-02
229 T= 700. E= -.10762147E+04 F= -.10749252E+04 E0= -.10748908E+04 EK= 0.14019E+02 SP= -.15E+02 SK= 0.22E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107476195404E+04 0.16314E+00 -0.13479E+00 3519 0.123E+00 0.300E-01
RMM: 2 -0.107477096020E+04 -0.90062E-02 -0.11505E-01 4142 0.349E-01 0.247E-01
RMM: 3 -0.107477272464E+04 -0.17644E-02 -0.26624E-02 4313 0.128E-01 0.185E-01
RMM: 4 -0.107477323395E+04 -0.50931E-03 -0.66012E-03 3723 0.574E-02 0.110E-01
RMM: 5 -0.107477302509E+04 0.20886E-03 -0.26995E-03 3146 0.309E-02 0.487E-02
RMM: 6 -0.107477312266E+04 -0.97569E-04 -0.13669E-03 2394 0.179E-02 0.288E-02
RMM: 7 -0.107477321806E+04 -0.95401E-04 -0.11204E-03 2043 0.134E-02 0.181E-02
RMM: 8 -0.107477328936E+04 -0.71305E-04 -0.84094E-04 1946 0.119E-02
230 T= 699. E= -.10761934E+04 F= -.10747733E+04 E0= -.10747394E+04 EK= 0.14012E+02 SP= -.15E+02 SK= 0.23E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107495045880E+04 -0.17724E+00 -0.15035E+00 3578 0.126E+00 0.430E-01
RMM: 2 -0.107495911089E+04 -0.86521E-02 -0.12354E-01 4123 0.339E-01 0.337E-01
RMM: 3 -0.107496029711E+04 -0.11862E-02 -0.29465E-02 4279 0.130E-01 0.189E-01
RMM: 4 -0.107496107276E+04 -0.77565E-03 -0.78754E-03 3749 0.593E-02 0.131E-01
RMM: 5 -0.107496051343E+04 0.55933E-03 -0.21351E-03 3007 0.286E-02 0.697E-02
RMM: 6 -0.107496069043E+04 -0.17700E-03 -0.17043E-03 2883 0.198E-02 0.290E-02
RMM: 7 -0.107496074413E+04 -0.53700E-04 -0.11103E-03 2085 0.129E-02 0.151E-02
RMM: 8 -0.107496082172E+04 -0.77589E-04 -0.92395E-04 1879 0.104E-02
231 T= 715. E= -.10762051E+04 F= -.10749608E+04 E0= -.10749271E+04 EK= 0.14316E+02 SP= -.16E+02 SK= 0.22E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107534482379E+04 -0.38408E+00 -0.10135E+00 3584 0.107E+00 0.287E-01
RMM: 2 -0.107535299853E+04 -0.81747E-02 -0.93971E-02 4133 0.293E-01 0.238E-01
RMM: 3 -0.107535455865E+04 -0.15601E-02 -0.22744E-02 4242 0.109E-01 0.158E-01
RMM: 4 -0.107535511731E+04 -0.55866E-03 -0.53478E-03 3577 0.472E-02 0.875E-02
RMM: 5 -0.107535498536E+04 0.13195E-03 -0.24159E-03 2904 0.254E-02 0.414E-02
RMM: 6 -0.107535510163E+04 -0.11627E-03 -0.15683E-03 2197 0.157E-02 0.171E-02
RMM: 7 -0.107535523373E+04 -0.13210E-03 -0.14140E-03 2033 0.140E-02 0.945E-03
RMM: 8 -0.107535534631E+04 -0.11259E-03 -0.11651E-03 1886 0.106E-02 0.601E-03
RMM: 9 -0.107535544857E+04 -0.10226E-03 -0.10594E-03 1757 0.107E-02 0.355E-03
RMM: 10 -0.107535554077E+04 -0.92199E-04 -0.98434E-04 1953 0.146E-02
232 T= 738. E= -.10762458E+04 F= -.10753555E+04 E0= -.10753212E+04 EK= 0.14795E+02 SP= -.16E+02 SK= 0.18E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107541753963E+04 -0.62091E-01 -0.14875E+00 3515 0.122E+00 0.408E-01
RMM: 2 -0.107542666587E+04 -0.91262E-02 -0.12282E-01 4121 0.325E-01 0.335E-01
RMM: 3 -0.107542786283E+04 -0.11970E-02 -0.29722E-02 4178 0.124E-01 0.201E-01
RMM: 4 -0.107542839746E+04 -0.53462E-03 -0.72501E-03 3590 0.547E-02 0.994E-02
RMM: 5 -0.107542838199E+04 0.15467E-04 -0.28757E-03 3022 0.282E-02 0.658E-02
RMM: 6 -0.107542845506E+04 -0.73068E-04 -0.17297E-03 2447 0.173E-02 0.198E-02
RMM: 7 -0.107542861208E+04 -0.15702E-03 -0.16276E-03 2023 0.132E-02 0.120E-02
RMM: 8 -0.107542873471E+04 -0.12263E-03 -0.13260E-03 1863 0.108E-02 0.681E-03
RMM: 9 -0.107542886092E+04 -0.12621E-03 -0.13009E-03 1822 0.120E-02 0.402E-03
RMM: 10 -0.107542897772E+04 -0.11680E-03 -0.12558E-03 2096 0.171E-02 0.156E-03
RMM: 11 -0.107542908766E+04 -0.10993E-03 -0.11453E-03 1773 0.126E-02 0.127E-03
RMM: 12 -0.107542918871E+04 -0.10106E-03 -0.11045E-03 1996 0.167E-02 0.153E-03
RMM: 13 -0.107542928355E+04 -0.94833E-04 -0.10230E-03 1629 0.138E-02 0.211E-03
RMM: 14 -0.107542936874E+04 -0.85196E-04 -0.92741E-04 1646 0.159E-02
233 T= 747. E= -.10762569E+04 F= -.10754294E+04 E0= -.10753944E+04 EK= 0.14966E+02 SP= -.16E+02 SK= 0.12E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107498471062E+04 0.44457E+00 -0.14586E+00 3552 0.124E+00 0.335E-01
RMM: 2 -0.107499436459E+04 -0.96540E-02 -0.12424E-01 4124 0.342E-01 0.282E-01
RMM: 3 -0.107499630414E+04 -0.19395E-02 -0.29626E-02 4296 0.127E-01 0.217E-01
RMM: 4 -0.107499628705E+04 0.17088E-04 -0.64631E-03 3462 0.559E-02 0.711E-02
RMM: 5 -0.107499659035E+04 -0.30330E-03 -0.30975E-03 3259 0.321E-02 0.609E-02
RMM: 6 -0.107499654448E+04 0.45868E-04 -0.12407E-03 2279 0.165E-02 0.394E-02
RMM: 7 -0.107499664513E+04 -0.10065E-03 -0.18204E-03 2702 0.198E-02 0.224E-02
RMM: 8 -0.107499673290E+04 -0.87773E-04 -0.10094E-03 2131 0.129E-02 0.199E-02
RMM: 9 -0.107499679658E+04 -0.63684E-04 -0.92436E-04 1785 0.108E-02
234 T= 730. E= -.10762443E+04 F= -.10749968E+04 E0= -.10749616E+04 EK= 0.14633E+02 SP= -.16E+02 SK= 0.81E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107424720248E+04 0.74953E+00 -0.14523E+00 3527 0.126E+00 0.320E-01
RMM: 2 -0.107425664535E+04 -0.94429E-02 -0.11814E-01 4109 0.349E-01 0.261E-01
RMM: 3 -0.107425858584E+04 -0.19405E-02 -0.28255E-02 4293 0.128E-01 0.175E-01
RMM: 4 -0.107425887401E+04 -0.28816E-03 -0.57576E-03 3581 0.542E-02 0.635E-02
RMM: 5 -0.107425910633E+04 -0.23233E-03 -0.29454E-03 3130 0.275E-02 0.460E-02
RMM: 6 -0.107425915275E+04 -0.46415E-04 -0.15446E-03 2112 0.160E-02 0.196E-02
RMM: 7 -0.107425931313E+04 -0.16038E-03 -0.17148E-03 2116 0.152E-02 0.856E-03
RMM: 8 -0.107425943088E+04 -0.11776E-03 -0.12130E-03 1792 0.101E-02 0.623E-03
RMM: 9 -0.107425955344E+04 -0.12255E-03 -0.12791E-03 1824 0.123E-02 0.403E-03
RMM: 10 -0.107425965692E+04 -0.10348E-03 -0.11255E-03 2120 0.176E-02 0.211E-03
RMM: 11 -0.107425976040E+04 -0.10349E-03 -0.10962E-03 1846 0.136E-02 0.163E-03
RMM: 12 -0.107425984808E+04 -0.87674E-04 -0.96078E-04 1994 0.163E-02
235 T= 699. E= -.10761990E+04 F= -.10742598E+04 E0= -.10742248E+04 EK= 0.14010E+02 SP= -.16E+02 SK= 0.69E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107378530176E+04 0.47446E+00 -0.16254E+00 3518 0.128E+00 0.403E-01
RMM: 2 -0.107379546049E+04 -0.10159E-01 -0.13387E-01 4126 0.362E-01 0.325E-01
RMM: 3 -0.107379686734E+04 -0.14069E-02 -0.30144E-02 4239 0.135E-01 0.181E-01
RMM: 4 -0.107379732804E+04 -0.46070E-03 -0.66419E-03 3674 0.582E-02 0.784E-02
RMM: 5 -0.107379743234E+04 -0.10430E-03 -0.24137E-03 3037 0.273E-02 0.567E-02
RMM: 6 -0.107379748207E+04 -0.49736E-04 -0.13915E-03 2383 0.176E-02 0.134E-02
RMM: 7 -0.107379761308E+04 -0.13101E-03 -0.13600E-03 1909 0.131E-02 0.830E-03
RMM: 8 -0.107379771645E+04 -0.10336E-03 -0.10583E-03 1801 0.103E-02 0.418E-03
RMM: 9 -0.107379782562E+04 -0.10918E-03 -0.11333E-03 1822 0.119E-02 0.254E-03
RMM: 10 -0.107379791777E+04 -0.92147E-04 -0.99397E-04 1892 0.138E-02
236 T= 681. E= -.10761781E+04 F= -.10737979E+04 E0= -.10737632E+04 EK= 0.13638E+02 SP= -.16E+02 SK= 0.82E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107385772524E+04 -0.59900E-01 -0.11135E+00 3580 0.108E+00 0.272E-01
RMM: 2 -0.107386693569E+04 -0.92104E-02 -0.10606E-01 4158 0.306E-01 0.225E-01
RMM: 3 -0.107386880290E+04 -0.18672E-02 -0.23802E-02 4221 0.115E-01 0.158E-01
RMM: 4 -0.107386931791E+04 -0.51501E-03 -0.55198E-03 3509 0.500E-02 0.715E-02
RMM: 5 -0.107386932699E+04 -0.90824E-05 -0.27474E-03 2993 0.262E-02 0.350E-02
RMM: 6 -0.107386944234E+04 -0.11535E-03 -0.16499E-03 2075 0.155E-02 0.166E-02
RMM: 7 -0.107386960792E+04 -0.16558E-03 -0.17867E-03 2178 0.156E-02 0.734E-03
RMM: 8 -0.107386974089E+04 -0.13297E-03 -0.13665E-03 1782 0.970E-03 0.577E-03
RMM: 9 -0.107386987652E+04 -0.13563E-03 -0.13974E-03 1742 0.103E-02 0.367E-03
RMM: 10 -0.107386999582E+04 -0.11929E-03 -0.12570E-03 2020 0.143E-02 0.290E-03
RMM: 11 -0.107387011688E+04 -0.12107E-03 -0.12638E-03 1831 0.124E-02 0.191E-03
RMM: 12 -0.107387022195E+04 -0.10507E-03 -0.11069E-03 1901 0.133E-02 0.193E-03
RMM: 13 -0.107387033013E+04 -0.10818E-03 -0.11484E-03 1709 0.139E-02 0.186E-03
RMM: 14 -0.107387042251E+04 -0.92374E-04 -0.99554E-04 1571 0.144E-02
237 T= 687. E= -.10762055E+04 F= -.10738704E+04 E0= -.10738362E+04 EK= 0.13762E+02 SP= -.16E+02 SK= 0.10E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107410121864E+04 -0.23089E+00 -0.10835E+00 3576 0.105E+00 0.290E-01
RMM: 2 -0.107410984555E+04 -0.86269E-02 -0.10182E-01 4139 0.303E-01 0.243E-01
RMM: 3 -0.107411141783E+04 -0.15723E-02 -0.23181E-02 4179 0.112E-01 0.179E-01
RMM: 4 -0.107411162188E+04 -0.20405E-03 -0.59928E-03 3382 0.508E-02 0.532E-02
RMM: 5 -0.107411183095E+04 -0.20907E-03 -0.27534E-03 3122 0.279E-02 0.453E-02
RMM: 6 -0.107411189499E+04 -0.64041E-04 -0.15805E-03 2148 0.152E-02 0.285E-02
RMM: 7 -0.107411203488E+04 -0.13989E-03 -0.16854E-03 2426 0.158E-02 0.111E-02
RMM: 8 -0.107411215725E+04 -0.12237E-03 -0.12878E-03 1785 0.101E-02 0.843E-03
RMM: 9 -0.107411227571E+04 -0.11846E-03 -0.12597E-03 1742 0.102E-02 0.494E-03
RMM: 10 -0.107411238803E+04 -0.11232E-03 -0.11991E-03 1910 0.134E-02 0.423E-03
RMM: 11 -0.107411249786E+04 -0.10984E-03 -0.11507E-03 1843 0.121E-02 0.333E-03
RMM: 12 -0.107411259789E+04 -0.10003E-03 -0.10786E-03 1890 0.138E-02 0.141E-03
RMM: 13 -0.107411269790E+04 -0.10001E-03 -0.10596E-03 1689 0.134E-02 0.194E-03
RMM: 14 -0.107411278658E+04 -0.88682E-04 -0.94732E-04 1460 0.135E-02
238 T= 702. E= -.10762263E+04 F= -.10741128E+04 E0= -.10740787E+04 EK= 0.14071E+02 SP= -.16E+02 SK= 0.11E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107420157545E+04 -0.88878E-01 -0.11850E+00 3570 0.110E+00 0.296E-01
RMM: 2 -0.107420984379E+04 -0.82683E-02 -0.10436E-01 4119 0.316E-01 0.252E-01
RMM: 3 -0.107421119116E+04 -0.13474E-02 -0.23565E-02 4224 0.116E-01 0.187E-01
RMM: 4 -0.107421132942E+04 -0.13826E-03 -0.70510E-03 3341 0.541E-02 0.649E-02
RMM: 5 -0.107421152945E+04 -0.20003E-03 -0.30564E-03 3251 0.305E-02 0.573E-02
RMM: 6 -0.107421154607E+04 -0.16615E-04 -0.16054E-03 2323 0.159E-02 0.353E-02
RMM: 7 -0.107421168277E+04 -0.13670E-03 -0.17970E-03 2578 0.176E-02 0.183E-02
RMM: 8 -0.107421179399E+04 -0.11122E-03 -0.12817E-03 1855 0.108E-02 0.117E-02
RMM: 9 -0.107421189693E+04 -0.10294E-03 -0.11428E-03 1740 0.944E-03 0.595E-03
RMM: 10 -0.107421200583E+04 -0.10890E-03 -0.11500E-03 1883 0.119E-02 0.734E-03
RMM: 11 -0.107421210148E+04 -0.95652E-04 -0.10135E-03 1767 0.104E-02 0.443E-03
RMM: 12 -0.107421219416E+04 -0.92681E-04 -0.10043E-03 1859 0.125E-02 0.144E-03
RMM: 13 -0.107421228078E+04 -0.86615E-04 -0.93077E-04 1655 0.124E-02
239 T= 712. E= -.10762281E+04 F= -.10742123E+04 E0= -.10741780E+04 EK= 0.14259E+02 SP= -.16E+02 SK= 0.11E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107413208089E+04 0.80113E-01 -0.11708E+00 3602 0.110E+00 0.285E-01
RMM: 2 -0.107414070964E+04 -0.86287E-02 -0.10520E-01 4141 0.317E-01 0.229E-01
RMM: 3 -0.107414226368E+04 -0.15540E-02 -0.23163E-02 4235 0.116E-01 0.162E-01
RMM: 4 -0.107414276119E+04 -0.49751E-03 -0.60898E-03 3543 0.513E-02 0.909E-02
RMM: 5 -0.107414260475E+04 0.15644E-03 -0.24356E-03 3159 0.279E-02 0.417E-02
RMM: 6 -0.107414272312E+04 -0.11837E-03 -0.15561E-03 2240 0.156E-02 0.196E-02
RMM: 7 -0.107414284902E+04 -0.12590E-03 -0.13201E-03 2015 0.129E-02 0.698E-03
RMM: 8 -0.107414296478E+04 -0.11575E-03 -0.11958E-03 1775 0.918E-03 0.521E-03
RMM: 9 -0.107414306506E+04 -0.10028E-03 -0.10375E-03 1690 0.101E-02 0.372E-03
RMM: 10 -0.107414316800E+04 -0.10294E-03 -0.11043E-03 2013 0.155E-02 0.241E-03
RMM: 11 -0.107414325910E+04 -0.91102E-04 -0.97351E-04 1826 0.134E-02
240 T= 713. E= -.10762258E+04 F= -.10741433E+04 E0= -.10741092E+04 EK= 0.14278E+02 SP= -.16E+02 SK= 0.98E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107399559926E+04 0.14757E+00 -0.11861E+00 3601 0.109E+00 0.295E-01
RMM: 2 -0.107400462794E+04 -0.90287E-02 -0.10876E-01 4157 0.318E-01 0.230E-01
RMM: 3 -0.107400617467E+04 -0.15467E-02 -0.23288E-02 4239 0.116E-01 0.144E-01
RMM: 4 -0.107400670072E+04 -0.52605E-03 -0.57134E-03 3626 0.505E-02 0.804E-02
RMM: 5 -0.107400663040E+04 0.70319E-04 -0.21987E-03 2948 0.253E-02 0.468E-02
RMM: 6 -0.107400674294E+04 -0.11254E-03 -0.15501E-03 2286 0.160E-02 0.183E-02
RMM: 7 -0.107400686370E+04 -0.12076E-03 -0.12490E-03 2007 0.134E-02 0.866E-03
RMM: 8 -0.107400698106E+04 -0.11735E-03 -0.12389E-03 1848 0.102E-02 0.524E-03
RMM: 9 -0.107400708419E+04 -0.10313E-03 -0.10733E-03 1807 0.115E-02 0.356E-03
RMM: 10 -0.107400719610E+04 -0.11191E-03 -0.11981E-03 2051 0.161E-02 0.186E-03
RMM: 11 -0.107400729282E+04 -0.96723E-04 -0.10219E-03 1800 0.134E-02 0.138E-03
RMM: 12 -0.107400739560E+04 -0.10278E-03 -0.11184E-03 2045 0.163E-02 0.151E-03
RMM: 13 -0.107400748500E+04 -0.89394E-04 -0.95082E-04 1624 0.123E-02
241 T= 711. E= -.10762027E+04 F= -.10740075E+04 E0= -.10739743E+04 EK= 0.14247E+02 SP= -.16E+02 SK= 0.88E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107419086681E+04 -0.18347E+00 -0.16608E+00 3584 0.122E+00 0.472E-01
RMM: 2 -0.107419936053E+04 -0.84937E-02 -0.13664E-01 4142 0.348E-01 0.355E-01
RMM: 3 -0.107420053674E+04 -0.11762E-02 -0.33736E-02 4187 0.136E-01 0.160E-01
RMM: 4 -0.107420133527E+04 -0.79852E-03 -0.76858E-03 3815 0.599E-02 0.127E-01
RMM: 5 -0.107420095368E+04 0.38158E-03 -0.21679E-03 3000 0.282E-02 0.780E-02
RMM: 6 -0.107420112933E+04 -0.17564E-03 -0.19682E-03 2896 0.205E-02 0.247E-02
RMM: 7 -0.107420122419E+04 -0.94864E-04 -0.12836E-03 2024 0.128E-02 0.153E-02
RMM: 8 -0.107420134023E+04 -0.11604E-03 -0.13012E-03 1916 0.113E-02 0.107E-02
RMM: 9 -0.107420144842E+04 -0.10819E-03 -0.11106E-03 1803 0.108E-02 0.936E-03
RMM: 10 -0.107420156618E+04 -0.11776E-03 -0.12363E-03 1934 0.133E-02 0.268E-03
RMM: 11 -0.107420166850E+04 -0.10232E-03 -0.10527E-03 1752 0.104E-02 0.185E-03
RMM: 12 -0.107420177589E+04 -0.10739E-03 -0.11202E-03 1842 0.119E-02 0.156E-03
RMM: 13 -0.107420187177E+04 -0.95881E-04 -0.99839E-04 1607 0.114E-02
242 T= 726. E= -.10761821E+04 F= -.10742019E+04 E0= -.10741696E+04 EK= 0.14540E+02 SP= -.17E+02 SK= 0.72E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107497960504E+04 -0.77783E+00 -0.13171E+00 3625 0.110E+00 0.399E-01
RMM: 2 -0.107498870459E+04 -0.90996E-02 -0.12557E-01 4153 0.322E-01 0.308E-01
RMM: 3 -0.107499018797E+04 -0.14834E-02 -0.29957E-02 4154 0.126E-01 0.151E-01
RMM: 4 -0.107499088514E+04 -0.69717E-03 -0.63978E-03 3722 0.535E-02 0.103E-01
RMM: 5 -0.107499076531E+04 0.11983E-03 -0.25601E-03 2903 0.257E-02 0.620E-02
RMM: 6 -0.107499093619E+04 -0.17088E-03 -0.19764E-03 2544 0.175E-02 0.173E-02
RMM: 7 -0.107499109206E+04 -0.15587E-03 -0.17198E-03 2012 0.129E-02 0.127E-02
RMM: 8 -0.107499124371E+04 -0.15164E-03 -0.16092E-03 1896 0.108E-02 0.821E-03
RMM: 9 -0.107499139214E+04 -0.14843E-03 -0.15219E-03 1796 0.108E-02 0.593E-03
RMM: 10 -0.107499153737E+04 -0.14523E-03 -0.15072E-03 1966 0.134E-02 0.186E-03
RMM: 11 -0.107499167500E+04 -0.13763E-03 -0.14211E-03 1808 0.118E-02 0.170E-03
RMM: 12 -0.107499180840E+04 -0.13340E-03 -0.13895E-03 1892 0.130E-02 0.193E-03
RMM: 13 -0.107499193456E+04 -0.12617E-03 -0.13157E-03 1583 0.123E-02 0.336E-03
RMM: 14 -0.107499205591E+04 -0.12134E-03 -0.12662E-03 1461 0.131E-02 0.280E-03
RMM: 15 -0.107499217299E+04 -0.11708E-03 -0.12440E-03 1544 0.153E-02 0.250E-03
RMM: 16 -0.107499228522E+04 -0.11223E-03 -0.11911E-03 1493 0.149E-02 0.278E-03
RMM: 17 -0.107499239418E+04 -0.10896E-03 -0.11635E-03 1523 0.155E-02 0.346E-03
RMM: 18 -0.107499249858E+04 -0.10441E-03 -0.11053E-03 1423 0.145E-02 0.425E-03
RMM: 19 -0.107499259957E+04 -0.10099E-03 -0.10771E-03 1471 0.153E-02 0.484E-03
RMM: 20 -0.107499269755E+04 -0.97979E-04 -0.10433E-03 1432 0.146E-02 0.559E-03
RMM: 21 -0.107499279079E+04 -0.93234E-04 -0.99228E-04 1441 0.140E-02
243 T= 766. E= -.10762403E+04 F= -.10749928E+04 E0= -.10749603E+04 EK= 0.15341E+02 SP= -.17E+02 SK= 0.35E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107565598868E+04 -0.66329E+00 -0.13849E+00 3623 0.112E+00 0.376E-01
RMM: 2 -0.107566608407E+04 -0.10095E-01 -0.12522E-01 4157 0.309E-01 0.308E-01
RMM: 3 -0.107566757332E+04 -0.14892E-02 -0.27700E-02 4088 0.117E-01 0.196E-01
RMM: 4 -0.107566830693E+04 -0.73361E-03 -0.73710E-03 3516 0.550E-02 0.106E-01
RMM: 5 -0.107566798080E+04 0.32612E-03 -0.25861E-03 3084 0.294E-02 0.553E-02
RMM: 6 -0.107566810762E+04 -0.12681E-03 -0.16871E-03 2635 0.168E-02 0.207E-02
RMM: 7 -0.107566823834E+04 -0.13072E-03 -0.13877E-03 2107 0.127E-02 0.143E-02
RMM: 8 -0.107566834765E+04 -0.10931E-03 -0.12527E-03 1880 0.991E-03 0.648E-03
RMM: 9 -0.107566845801E+04 -0.11036E-03 -0.11460E-03 1826 0.116E-02 0.411E-03
RMM: 10 -0.107566857190E+04 -0.11389E-03 -0.12255E-03 2073 0.161E-02 0.146E-03
RMM: 11 -0.107566867443E+04 -0.10252E-03 -0.10716E-03 1787 0.122E-02 0.126E-03
RMM: 12 -0.107566877727E+04 -0.10285E-03 -0.11064E-03 1940 0.144E-02 0.178E-03
RMM: 13 -0.107566887080E+04 -0.93531E-04 -0.98542E-04 1567 0.118E-02
244 T= 799. E= -.10762887E+04 F= -.10756689E+04 E0= -.10756365E+04 EK= 0.16007E+02 SP= -.17E+02 SK= 0.16E-03
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107555381432E+04 0.11496E+00 -0.17231E+00 3549 0.124E+00 0.407E-01
RMM: 2 -0.107556433367E+04 -0.10519E-01 -0.13796E-01 4152 0.340E-01 0.332E-01
RMM: 3 -0.107556591917E+04 -0.15855E-02 -0.32030E-02 4166 0.127E-01 0.221E-01
RMM: 4 -0.107556677003E+04 -0.85086E-03 -0.85350E-03 3509 0.594E-02 0.135E-01
RMM: 5 -0.107556613011E+04 0.63991E-03 -0.31914E-03 3187 0.328E-02 0.603E-02
RMM: 6 -0.107556625037E+04 -0.12026E-03 -0.18307E-03 2616 0.177E-02 0.259E-02
RMM: 7 -0.107556639393E+04 -0.14355E-03 -0.15526E-03 2162 0.131E-02 0.119E-02
RMM: 8 -0.107556652306E+04 -0.12913E-03 -0.13686E-03 1836 0.962E-03 0.830E-03
RMM: 9 -0.107556664462E+04 -0.12156E-03 -0.12578E-03 1756 0.106E-02 0.526E-03
RMM: 10 -0.107556677318E+04 -0.12856E-03 -0.13635E-03 2066 0.158E-02 0.273E-03
RMM: 11 -0.107556688959E+04 -0.11641E-03 -0.11979E-03 1686 0.106E-02 0.230E-03
RMM: 12 -0.107556700793E+04 -0.11835E-03 -0.12463E-03 1877 0.134E-02 0.215E-03
RMM: 13 -0.107556711779E+04 -0.10986E-03 -0.11450E-03 1536 0.114E-02 0.281E-03
RMM: 14 -0.107556722498E+04 -0.10718E-03 -0.11209E-03 1387 0.120E-02 0.317E-03
RMM: 15 -0.107556732843E+04 -0.10345E-03 -0.11072E-03 1473 0.146E-02 0.351E-03
RMM: 16 -0.107556742990E+04 -0.10147E-03 -0.10893E-03 1480 0.153E-02 0.398E-03
RMM: 17 -0.107556752830E+04 -0.98398E-04 -0.10654E-03 1520 0.158E-02 0.461E-03
RMM: 18 -0.107556762251E+04 -0.94214E-04 -0.10245E-03 1519 0.147E-02 0.487E-03
RMM: 19 -0.107556771379E+04 -0.91279E-04 -0.97249E-04 1492 0.141E-02
245 T= 794. E= -.10762731E+04 F= -.10755677E+04 E0= -.10755364E+04 EK= 0.15906E+02 SP= -.17E+02 SK= 0.18E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107489908265E+04 0.66854E+00 -0.17769E+00 3591 0.130E+00 0.334E-01
RMM: 2 -0.107490992513E+04 -0.10842E-01 -0.13912E-01 4147 0.368E-01 0.270E-01
RMM: 3 -0.107491226167E+04 -0.23365E-02 -0.31907E-02 4235 0.133E-01 0.179E-01
RMM: 4 -0.107491261013E+04 -0.34846E-03 -0.64210E-03 3544 0.555E-02 0.668E-02
RMM: 5 -0.107491267208E+04 -0.61950E-04 -0.23461E-03 3170 0.286E-02 0.375E-02
RMM: 6 -0.107491271643E+04 -0.44343E-04 -0.11045E-03 2160 0.157E-02 0.182E-02
RMM: 7 -0.107491281558E+04 -0.99157E-04 -0.11031E-03 2016 0.136E-02 0.921E-03
RMM: 8 -0.107491290306E+04 -0.87479E-04 -0.91128E-04 1846 0.103E-02
246 T= 761. E= -.10762122E+04 F= -.10749129E+04 E0= -.10748828E+04 EK= 0.15248E+02 SP= -.17E+02 SK= 0.76E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107452328676E+04 0.38953E+00 -0.19701E+00 3589 0.137E+00 0.451E-01
RMM: 2 -0.107453496627E+04 -0.11680E-01 -0.16150E-01 4148 0.386E-01 0.360E-01
RMM: 3 -0.107453671155E+04 -0.17453E-02 -0.37705E-02 4272 0.148E-01 0.199E-01
RMM: 4 -0.107453772716E+04 -0.10156E-02 -0.93816E-03 3840 0.656E-02 0.121E-01
RMM: 5 -0.107453731571E+04 0.41145E-03 -0.28978E-03 3082 0.306E-02 0.705E-02
RMM: 6 -0.107453747819E+04 -0.16248E-03 -0.20909E-03 2819 0.207E-02 0.204E-02
RMM: 7 -0.107453761051E+04 -0.13232E-03 -0.15422E-03 2041 0.131E-02 0.151E-02
RMM: 8 -0.107453773909E+04 -0.12858E-03 -0.14255E-03 1914 0.110E-02 0.939E-03
RMM: 9 -0.107453787350E+04 -0.13441E-03 -0.13626E-03 1821 0.107E-02 0.591E-03
RMM: 10 -0.107453800576E+04 -0.13226E-03 -0.13682E-03 1920 0.125E-02 0.254E-03
RMM: 11 -0.107453813041E+04 -0.12465E-03 -0.12767E-03 1728 0.103E-02 0.207E-03
RMM: 12 -0.107453825191E+04 -0.12150E-03 -0.12647E-03 1821 0.122E-02 0.227E-03
RMM: 13 -0.107453837030E+04 -0.11838E-03 -0.12384E-03 1693 0.125E-02 0.378E-03
RMM: 14 -0.107453848212E+04 -0.11183E-03 -0.11647E-03 1473 0.121E-02 0.346E-03
RMM: 15 -0.107453859327E+04 -0.11115E-03 -0.11843E-03 1556 0.149E-02 0.290E-03
RMM: 16 -0.107453870044E+04 -0.10717E-03 -0.11349E-03 1519 0.147E-02 0.300E-03
RMM: 17 -0.107453880373E+04 -0.10329E-03 -0.10992E-03 1446 0.151E-02 0.373E-03
RMM: 18 -0.107453890461E+04 -0.10088E-03 -0.10745E-03 1469 0.158E-02 0.465E-03
RMM: 19 -0.107453900535E+04 -0.10074E-03 -0.10786E-03 1533 0.163E-02 0.529E-03
RMM: 20 -0.107453910188E+04 -0.96537E-04 -0.10187E-03 1394 0.140E-02 0.606E-03
RMM: 21 -0.107453919618E+04 -0.94293E-04 -0.10086E-03 1431 0.148E-02 0.672E-03
RMM: 22 -0.107453928802E+04 -0.91843E-04 -0.98265E-04 1426 0.141E-02
247 T= 739. E= -.10761879E+04 F= -.10745393E+04 E0= -.10745088E+04 EK= 0.14806E+02 SP= -.16E+02 SK= 0.13E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107476341984E+04 -0.22422E+00 -0.12410E+00 3663 0.111E+00 0.307E-01
RMM: 2 -0.107477330708E+04 -0.98872E-02 -0.11955E-01 4187 0.316E-01 0.250E-01
RMM: 3 -0.107477516331E+04 -0.18562E-02 -0.26385E-02 4218 0.119E-01 0.169E-01
RMM: 4 -0.107477562582E+04 -0.46251E-03 -0.57449E-03 3562 0.517E-02 0.731E-02
RMM: 5 -0.107477568558E+04 -0.59756E-04 -0.25820E-03 3011 0.271E-02 0.446E-02
RMM: 6 -0.107477575103E+04 -0.65448E-04 -0.13886E-03 2158 0.162E-02 0.219E-02
RMM: 7 -0.107477588449E+04 -0.13347E-03 -0.14573E-03 2124 0.149E-02 0.995E-03
RMM: 8 -0.107477599212E+04 -0.10762E-03 -0.11307E-03 1851 0.103E-02 0.590E-03
RMM: 9 -0.107477610479E+04 -0.11268E-03 -0.11729E-03 1821 0.114E-02 0.384E-03
RMM: 10 -0.107477620515E+04 -0.10035E-03 -0.10733E-03 1977 0.152E-02 0.175E-03
RMM: 11 -0.107477630962E+04 -0.10447E-03 -0.11030E-03 1903 0.138E-02 0.134E-03
RMM: 12 -0.107477640123E+04 -0.91611E-04 -0.98505E-04 1918 0.142E-02
248 T= 743. E= -.10762270E+04 F= -.10747764E+04 E0= -.10747454E+04 EK= 0.14894E+02 SP= -.16E+02 SK= 0.19E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107509061031E+04 -0.31430E+00 -0.12110E+00 3652 0.111E+00 0.334E-01
RMM: 2 -0.107509970344E+04 -0.90931E-02 -0.11364E-01 4209 0.312E-01 0.269E-01
RMM: 3 -0.107510147314E+04 -0.17697E-02 -0.25850E-02 4254 0.116E-01 0.193E-01
RMM: 4 -0.107510210763E+04 -0.63450E-03 -0.70013E-03 3597 0.522E-02 0.116E-01
RMM: 5 -0.107510183947E+04 0.26816E-03 -0.28115E-03 3131 0.286E-02 0.433E-02
RMM: 6 -0.107510197141E+04 -0.13194E-03 -0.18671E-03 2380 0.161E-02 0.237E-02
RMM: 7 -0.107510212658E+04 -0.15517E-03 -0.16201E-03 2097 0.134E-02 0.115E-02
RMM: 8 -0.107510226727E+04 -0.14069E-03 -0.15000E-03 1852 0.966E-03 0.573E-03
RMM: 9 -0.107510239974E+04 -0.13247E-03 -0.13600E-03 1778 0.107E-02 0.408E-03
RMM: 10 -0.107510253807E+04 -0.13833E-03 -0.14489E-03 2009 0.147E-02 0.178E-03
RMM: 11 -0.107510266394E+04 -0.12587E-03 -0.12981E-03 1765 0.122E-02 0.144E-03
RMM: 12 -0.107510279241E+04 -0.12847E-03 -0.13561E-03 1861 0.142E-02 0.170E-03
RMM: 13 -0.107510291068E+04 -0.11827E-03 -0.12388E-03 1564 0.124E-02 0.252E-03
RMM: 14 -0.107510302709E+04 -0.11641E-03 -0.12143E-03 1441 0.133E-02 0.343E-03
RMM: 15 -0.107510314040E+04 -0.11331E-03 -0.12121E-03 1539 0.162E-02 0.415E-03
RMM: 16 -0.107510325295E+04 -0.11255E-03 -0.11917E-03 1468 0.150E-02 0.498E-03
RMM: 17 -0.107510335824E+04 -0.10529E-03 -0.11184E-03 1398 0.147E-02 0.577E-03
RMM: 18 -0.107510346415E+04 -0.10591E-03 -0.11356E-03 1456 0.158E-02 0.655E-03
RMM: 19 -0.107510356861E+04 -0.10446E-03 -0.11351E-03 1484 0.157E-02 0.727E-03
RMM: 20 -0.107510366469E+04 -0.96084E-04 -0.10575E-03 1359 0.135E-02 0.798E-03
RMM: 21 -0.107510376094E+04 -0.96251E-04 -0.10299E-03 1432 0.148E-02 0.865E-03
RMM: 22 -0.107510385506E+04 -0.94117E-04 -0.10013E-03 1384 0.138E-02 0.939E-03
RMM: 23 -0.107510394578E+04 -0.90727E-04 -0.96863E-04 1389 0.141E-02
249 T= 752. E= -.10762527E+04 F= -.10751039E+04 E0= -.10750746E+04 EK= 0.15063E+02 SP= -.16E+02 SK= 0.27E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107509642437E+04 0.74307E-02 -0.12627E+00 3618 0.114E+00 0.319E-01
RMM: 2 -0.107510516718E+04 -0.87428E-02 -0.11097E-01 4178 0.321E-01 0.263E-01
RMM: 3 -0.107510653694E+04 -0.13698E-02 -0.24183E-02 4275 0.118E-01 0.187E-01
RMM: 4 -0.107510692710E+04 -0.39016E-03 -0.65107E-03 3497 0.550E-02 0.920E-02
RMM: 5 -0.107510671723E+04 0.20987E-03 -0.22161E-03 3211 0.309E-02 0.512E-02
RMM: 6 -0.107510672364E+04 -0.64163E-05 -0.94568E-04 2448 0.161E-02
250 T= 744. E= -.10762490E+04 F= -.10751067E+04 E0= -.10750805E+04 EK= 0.14911E+02 SP= -.16E+02 SK= 0.36E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107479361945E+04 0.31310E+00 -0.12860E+00 3582 0.116E+00 0.304E-01
RMM: 2 -0.107480204710E+04 -0.84276E-02 -0.10775E-01 4174 0.334E-01 0.245E-01
RMM: 3 -0.107480373565E+04 -0.16886E-02 -0.25180E-02 4351 0.125E-01 0.202E-01
RMM: 4 -0.107480357828E+04 0.15737E-03 -0.59135E-03 3611 0.520E-02 0.115E-01
RMM: 5 -0.107480365179E+04 -0.73512E-04 -0.27177E-03 3133 0.309E-02 0.423E-02
RMM: 6 -0.107480377924E+04 -0.12744E-03 -0.14382E-03 2430 0.170E-02 0.273E-02
RMM: 7 -0.107480386439E+04 -0.85158E-04 -0.11220E-03 2011 0.122E-02 0.140E-02
RMM: 8 -0.107480396936E+04 -0.10497E-03 -0.11428E-03 2015 0.124E-02 0.664E-03
RMM: 9 -0.107480406626E+04 -0.96896E-04 -0.10115E-03 1787 0.103E-02 0.468E-03
RMM: 10 -0.107480416423E+04 -0.97972E-04 -0.10098E-03 1843 0.112E-02 0.290E-03
RMM: 11 -0.107480425706E+04 -0.92834E-04 -0.97451E-04 1840 0.125E-02
251 T= 721. E= -.10762327E+04 F= -.10748043E+04 E0= -.10747805E+04 EK= 0.14449E+02 SP= -.16E+02 SK= 0.43E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107443086042E+04 0.37330E+00 -0.12809E+00 3579 0.120E+00 0.293E-01
RMM: 2 -0.107443930724E+04 -0.84468E-02 -0.10791E-01 4140 0.342E-01 0.220E-01
RMM: 3 -0.107444138344E+04 -0.20762E-02 -0.26338E-02 4291 0.127E-01 0.176E-01
RMM: 4 -0.107444146203E+04 -0.78593E-04 -0.54123E-03 3732 0.508E-02 0.121E-01
RMM: 5 -0.107444147779E+04 -0.15760E-04 -0.21658E-03 3074 0.269E-02 0.419E-02
RMM: 6 -0.107444162368E+04 -0.14589E-03 -0.14464E-03 2595 0.169E-02 0.197E-02
RMM: 7 -0.107444172655E+04 -0.10286E-03 -0.12047E-03 1888 0.112E-02 0.133E-02
RMM: 8 -0.107444182695E+04 -0.10040E-03 -0.11182E-03 1943 0.121E-02 0.870E-03
RMM: 9 -0.107444193739E+04 -0.11044E-03 -0.11464E-03 1804 0.106E-02 0.453E-03
RMM: 10 -0.107444203633E+04 -0.98945E-04 -0.10198E-03 1771 0.980E-03 0.251E-03
RMM: 11 -0.107444213785E+04 -0.10152E-03 -0.10600E-03 1767 0.117E-02 0.180E-03
RMM: 12 -0.107444223256E+04 -0.94708E-04 -0.10030E-03 1747 0.129E-02 0.109E-03
RMM: 13 -0.107444232775E+04 -0.95186E-04 -0.10137E-03 1605 0.134E-02 0.120E-03
RMM: 14 -0.107444241882E+04 -0.91079E-04 -0.98548E-04 1592 0.142E-02
252 T= 695. E= -.10762150E+04 F= -.10744424E+04 E0= -.10744186E+04 EK= 0.13925E+02 SP= -.16E+02 SK= 0.45E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107434089883E+04 0.10143E+00 -0.15350E+00 3588 0.126E+00 0.348E-01
RMM: 2 -0.107435037944E+04 -0.94806E-02 -0.12751E-01 4158 0.367E-01 0.283E-01
RMM: 3 -0.107435182158E+04 -0.14421E-02 -0.27627E-02 4308 0.133E-01 0.187E-01
RMM: 4 -0.107435240918E+04 -0.58760E-03 -0.69915E-03 3692 0.597E-02 0.105E-01
RMM: 5 -0.107435209373E+04 0.31545E-03 -0.19697E-03 3147 0.284E-02 0.570E-02
RMM: 6 -0.107435215198E+04 -0.58256E-04 -0.10861E-03 2554 0.177E-02 0.223E-02
RMM: 7 -0.107435222518E+04 -0.73200E-04 -0.81867E-04 2023 0.121E-02
253 T= 683. E= -.10761946E+04 F= -.10743522E+04 E0= -.10743276E+04 EK= 0.13685E+02 SP= -.16E+02 SK= 0.41E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107479925157E+04 -0.44710E+00 -0.14160E+00 3601 0.119E+00 0.381E-01
RMM: 2 -0.107480861764E+04 -0.93661E-02 -0.12510E-01 4184 0.344E-01 0.297E-01
RMM: 3 -0.107481015117E+04 -0.15335E-02 -0.29720E-02 4262 0.130E-01 0.152E-01
RMM: 4 -0.107481054736E+04 -0.39619E-03 -0.55482E-03 3734 0.535E-02 0.726E-02
RMM: 5 -0.107481066603E+04 -0.11867E-03 -0.20571E-03 2852 0.246E-02 0.479E-02
RMM: 6 -0.107481073844E+04 -0.72412E-04 -0.13941E-03 2413 0.174E-02 0.142E-02
RMM: 7 -0.107481084645E+04 -0.10801E-03 -0.12219E-03 2029 0.139E-02 0.856E-03
RMM: 8 -0.107481095203E+04 -0.10558E-03 -0.10936E-03 1893 0.112E-02 0.624E-03
RMM: 9 -0.107481105491E+04 -0.10288E-03 -0.10734E-03 1900 0.122E-02 0.405E-03
RMM: 10 -0.107481115392E+04 -0.99005E-04 -0.10416E-03 1956 0.131E-02 0.175E-03
RMM: 11 -0.107481124683E+04 -0.92910E-04 -0.97062E-04 1761 0.116E-02
254 T= 696. E= -.10762245E+04 F= -.10748112E+04 E0= -.10747875E+04 EK= 0.13953E+02 SP= -.15E+02 SK= 0.38E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107542792107E+04 -0.61677E+00 -0.10876E+00 3662 0.104E+00 0.304E-01
RMM: 2 -0.107543645516E+04 -0.85341E-02 -0.10405E-01 4183 0.300E-01 0.243E-01
RMM: 3 -0.107543792621E+04 -0.14710E-02 -0.22962E-02 4154 0.112E-01 0.145E-01
RMM: 4 -0.107543822406E+04 -0.29784E-03 -0.47911E-03 3479 0.465E-02 0.477E-02
RMM: 5 -0.107543838689E+04 -0.16284E-03 -0.18597E-03 2752 0.228E-02 0.312E-02
RMM: 6 -0.107543848157E+04 -0.94673E-04 -0.13284E-03 2065 0.148E-02 0.179E-02
RMM: 7 -0.107543859587E+04 -0.11431E-03 -0.12515E-03 2126 0.152E-02 0.725E-03
RMM: 8 -0.107543871659E+04 -0.12071E-03 -0.12403E-03 1863 0.113E-02 0.450E-03
RMM: 9 -0.107543882747E+04 -0.11088E-03 -0.11435E-03 1753 0.106E-02 0.351E-03
RMM: 10 -0.107543893921E+04 -0.11174E-03 -0.11735E-03 1892 0.135E-02 0.182E-03
RMM: 11 -0.107543904705E+04 -0.10784E-03 -0.11380E-03 1876 0.140E-02 0.114E-03
RMM: 12 -0.107543915647E+04 -0.10942E-03 -0.11584E-03 1906 0.145E-02 0.118E-03
RMM: 13 -0.107543926026E+04 -0.10379E-03 -0.10962E-03 1660 0.133E-02 0.138E-03
RMM: 14 -0.107543936397E+04 -0.10371E-03 -0.10955E-03 1510 0.136E-02 0.276E-03
RMM: 15 -0.107543946213E+04 -0.98163E-04 -0.10607E-03 1470 0.152E-02 0.296E-03
RMM: 16 -0.107543956168E+04 -0.99548E-04 -0.10779E-03 1541 0.164E-02 0.327E-03
RMM: 17 -0.107543965881E+04 -0.97128E-04 -0.10483E-03 1609 0.162E-02 0.356E-03
RMM: 18 -0.107543975454E+04 -0.95729E-04 -0.10169E-03 1458 0.143E-02 0.415E-03
RMM: 19 -0.107543984727E+04 -0.92726E-04 -0.99323E-04 1526 0.155E-02
255 T= 718. E= -.10762643E+04 F= -.10754398E+04 E0= -.10754173E+04 EK= 0.14379E+02 SP= -.15E+02 SK= 0.39E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107566289396E+04 -0.22314E+00 -0.13415E+00 3606 0.113E+00 0.368E-01
RMM: 2 -0.107567209705E+04 -0.92031E-02 -0.12112E-01 4155 0.323E-01 0.307E-01
RMM: 3 -0.107567324316E+04 -0.11461E-02 -0.26006E-02 4158 0.120E-01 0.204E-01
RMM: 4 -0.107567344523E+04 -0.20207E-03 -0.68272E-03 3390 0.529E-02 0.677E-02
RMM: 5 -0.107567366399E+04 -0.21877E-03 -0.23100E-03 3123 0.275E-02 0.556E-02
RMM: 6 -0.107567366086E+04 0.31351E-05 -0.13601E-03 2246 0.159E-02 0.284E-02
RMM: 7 -0.107567376361E+04 -0.10275E-03 -0.12753E-03 2388 0.155E-02 0.104E-02
RMM: 8 -0.107567386247E+04 -0.98858E-04 -0.10570E-03 1776 0.992E-03 0.735E-03
RMM: 9 -0.107567394834E+04 -0.85873E-04 -0.91585E-04 1829 0.115E-02
256 T= 720. E= -.10762737E+04 F= -.10756739E+04 E0= -.10756508E+04 EK= 0.14432E+02 SP= -.15E+02 SK= 0.43E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107541941481E+04 0.25445E+00 -0.13174E+00 3600 0.116E+00 0.300E-01
RMM: 2 -0.107542891236E+04 -0.94976E-02 -0.11820E-01 4174 0.338E-01 0.244E-01
RMM: 3 -0.107543082413E+04 -0.19118E-02 -0.26292E-02 4268 0.124E-01 0.180E-01
RMM: 4 -0.107543104432E+04 -0.22019E-03 -0.58322E-03 3567 0.529E-02 0.676E-02
RMM: 5 -0.107543113987E+04 -0.95556E-04 -0.21972E-03 3187 0.277E-02 0.412E-02
RMM: 6 -0.107543118075E+04 -0.40876E-04 -0.12250E-03 2194 0.153E-02 0.229E-02
RMM: 7 -0.107543126280E+04 -0.82048E-04 -0.10377E-03 2238 0.139E-02 0.104E-02
RMM: 8 -0.107543135067E+04 -0.87876E-04 -0.92903E-04 1853 0.107E-02
257 T= 701. E= -.10762412E+04 F= -.10754314E+04 E0= -.10754079E+04 EK= 0.14043E+02 SP= -.15E+02 SK= 0.45E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107519060063E+04 0.24066E+00 -0.15629E+00 3600 0.126E+00 0.382E-01
RMM: 2 -0.107520098648E+04 -0.10386E-01 -0.13584E-01 4189 0.364E-01 0.311E-01
RMM: 3 -0.107520259872E+04 -0.16122E-02 -0.30314E-02 4303 0.135E-01 0.182E-01
RMM: 4 -0.107520293718E+04 -0.33847E-03 -0.63316E-03 3710 0.567E-02 0.690E-02
RMM: 5 -0.107520309187E+04 -0.15468E-03 -0.20175E-03 3037 0.261E-02 0.504E-02
RMM: 6 -0.107520312039E+04 -0.28524E-04 -0.12837E-03 2358 0.171E-02 0.202E-02
RMM: 7 -0.107520321327E+04 -0.92876E-04 -0.10487E-03 1958 0.131E-02 0.887E-03
RMM: 8 -0.107520330897E+04 -0.95702E-04 -0.98774E-04 1905 0.115E-02
258 T= 683. E= -.10762069E+04 F= -.10752033E+04 E0= -.10751809E+04 EK= 0.13676E+02 SP= -.15E+02 SK= 0.42E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107542558816E+04 -0.22237E+00 -0.12350E+00 3658 0.111E+00 0.341E-01
RMM: 2 -0.107543523287E+04 -0.96447E-02 -0.11909E-01 4199 0.321E-01 0.275E-01
RMM: 3 -0.107543665153E+04 -0.14187E-02 -0.25954E-02 4245 0.121E-01 0.166E-01
RMM: 4 -0.107543721357E+04 -0.56205E-03 -0.66707E-03 3643 0.537E-02 0.795E-02
RMM: 5 -0.107543719131E+04 0.22262E-04 -0.23120E-03 2997 0.268E-02 0.505E-02
RMM: 6 -0.107543731870E+04 -0.12739E-03 -0.18084E-03 2370 0.170E-02 0.173E-02
RMM: 7 -0.107543745568E+04 -0.13697E-03 -0.14302E-03 2014 0.131E-02 0.865E-03
RMM: 8 -0.107543759977E+04 -0.14409E-03 -0.14639E-03 1851 0.101E-02 0.692E-03
RMM: 9 -0.107543772012E+04 -0.12035E-03 -0.12284E-03 1790 0.115E-02 0.428E-03
RMM: 10 -0.107543785602E+04 -0.13590E-03 -0.14362E-03 2103 0.173E-02 0.234E-03
RMM: 11 -0.107543797082E+04 -0.11480E-03 -0.11978E-03 1852 0.134E-02 0.199E-03
RMM: 12 -0.107543809472E+04 -0.12390E-03 -0.13190E-03 1984 0.154E-02 0.189E-03
RMM: 13 -0.107543820247E+04 -0.10775E-03 -0.11334E-03 1679 0.130E-02 0.245E-03
RMM: 14 -0.107543831567E+04 -0.11321E-03 -0.11943E-03 1582 0.146E-02 0.316E-03
RMM: 15 -0.107543841821E+04 -0.10253E-03 -0.11058E-03 1520 0.153E-02 0.383E-03
RMM: 16 -0.107543852400E+04 -0.10579E-03 -0.11354E-03 1551 0.155E-02 0.439E-03
RMM: 17 -0.107543861964E+04 -0.95642E-04 -0.10317E-03 1482 0.157E-02 0.526E-03
RMM: 18 -0.107543871858E+04 -0.98945E-04 -0.10847E-03 1578 0.172E-02 0.575E-03
RMM: 19 -0.107543881020E+04 -0.91620E-04 -0.98501E-04 1480 0.158E-02
259 T= 685. E= -.10762271E+04 F= -.10754388E+04 E0= -.10754164E+04 EK= 0.13730E+02 SP= -.15E+02 SK= 0.37E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107589250065E+04 -0.45378E+00 -0.11009E+00 3666 0.104E+00 0.304E-01
RMM: 2 -0.107590146813E+04 -0.89675E-02 -0.10741E-01 4186 0.302E-01 0.241E-01
RMM: 3 -0.107590308715E+04 -0.16190E-02 -0.22666E-02 4175 0.113E-01 0.158E-01
RMM: 4 -0.107590365737E+04 -0.57022E-03 -0.55262E-03 3622 0.501E-02 0.867E-02
RMM: 5 -0.107590348274E+04 0.17463E-03 -0.18756E-03 2946 0.261E-02 0.381E-02
RMM: 6 -0.107590357450E+04 -0.91760E-04 -0.11423E-03 2199 0.152E-02 0.151E-02
RMM: 7 -0.107590366177E+04 -0.87266E-04 -0.94388E-04 2024 0.135E-02
260 T= 699. E= -.10762532E+04 F= -.10759037E+04 E0= -.10758803E+04 EK= 0.14014E+02 SP= -.14E+02 SK= 0.35E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107623350343E+04 -0.32993E+00 -0.12930E+00 3647 0.110E+00 0.351E-01
RMM: 2 -0.107624280724E+04 -0.93038E-02 -0.12033E-01 4203 0.314E-01 0.283E-01
RMM: 3 -0.107624424326E+04 -0.14360E-02 -0.26216E-02 4289 0.118E-01 0.191E-01
RMM: 4 -0.107624481786E+04 -0.57460E-03 -0.71472E-03 3558 0.535E-02 0.104E-01
RMM: 5 -0.107624461453E+04 0.20332E-03 -0.27661E-03 3154 0.301E-02 0.518E-02
RMM: 6 -0.107624473839E+04 -0.12386E-03 -0.16815E-03 2367 0.164E-02 0.267E-02
RMM: 7 -0.107624486960E+04 -0.13121E-03 -0.14292E-03 2204 0.136E-02 0.147E-02
RMM: 8 -0.107624498408E+04 -0.11448E-03 -0.12882E-03 1891 0.106E-02 0.674E-03
RMM: 9 -0.107624509511E+04 -0.11103E-03 -0.11500E-03 1857 0.124E-02 0.470E-03
RMM: 10 -0.107624521583E+04 -0.12071E-03 -0.12905E-03 2154 0.174E-02 0.242E-03
RMM: 11 -0.107624532143E+04 -0.10560E-03 -0.10963E-03 1801 0.119E-02 0.222E-03
RMM: 12 -0.107624542841E+04 -0.10698E-03 -0.11390E-03 1927 0.138E-02 0.225E-03
RMM: 13 -0.107624552527E+04 -0.96863E-04 -0.10229E-03 1592 0.120E-02 0.265E-03
RMM: 14 -0.107624562130E+04 -0.96029E-04 -0.10122E-03 1536 0.137E-02 0.288E-03
RMM: 15 -0.107624571466E+04 -0.93367E-04 -0.10167E-03 1632 0.162E-02 0.337E-03
RMM: 16 -0.107624580465E+04 -0.89987E-04 -0.95781E-04 1468 0.141E-02
261 T= 708. E= -.10762623E+04 F= -.10762458E+04 E0= -.10762233E+04 EK= 0.14192E+02 SP= -.14E+02 SK= 0.35E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107630423376E+04 -0.58519E-01 -0.11516E+00 3731 0.107E+00 0.280E-01
RMM: 2 -0.107631312272E+04 -0.88890E-02 -0.10303E-01 4182 0.297E-01 0.218E-01
RMM: 3 -0.107631484753E+04 -0.17248E-02 -0.24021E-02 4269 0.112E-01 0.152E-01
RMM: 4 -0.107631524158E+04 -0.39405E-03 -0.53481E-03 3499 0.488E-02 0.742E-02
RMM: 5 -0.107631523151E+04 0.10068E-04 -0.22676E-03 3042 0.272E-02 0.447E-02
RMM: 6 -0.107631528930E+04 -0.57793E-04 -0.12855E-03 2239 0.161E-02 0.232E-02
RMM: 7 -0.107631539533E+04 -0.10603E-03 -0.12578E-03 2327 0.152E-02 0.120E-02
RMM: 8 -0.107631549062E+04 -0.95296E-04 -0.10164E-03 1789 0.994E-03 0.759E-03
RMM: 9 -0.107631558103E+04 -0.90407E-04 -0.95511E-04 1770 0.100E-02
262 T= 704. E= -.10762636E+04 F= -.10763156E+04 E0= -.10762949E+04 EK= 0.14102E+02 SP= -.14E+02 SK= 0.36E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107608505317E+04 0.23044E+00 -0.11833E+00 3716 0.110E+00 0.274E-01
RMM: 2 -0.107609357268E+04 -0.85195E-02 -0.99193E-02 4151 0.306E-01 0.205E-01
RMM: 3 -0.107609574741E+04 -0.21747E-02 -0.25459E-02 4235 0.116E-01 0.144E-01
RMM: 4 -0.107609623417E+04 -0.48676E-03 -0.56029E-03 3600 0.484E-02 0.922E-02
RMM: 5 -0.107609615033E+04 0.83843E-04 -0.22943E-03 3062 0.260E-02 0.314E-02
RMM: 6 -0.107609629359E+04 -0.14327E-03 -0.16308E-03 2214 0.152E-02 0.177E-02
RMM: 7 -0.107609640798E+04 -0.11439E-03 -0.12390E-03 1944 0.111E-02 0.984E-03
RMM: 8 -0.107609652890E+04 -0.12092E-03 -0.12635E-03 1887 0.105E-02 0.436E-03
RMM: 9 -0.107609663078E+04 -0.10188E-03 -0.10469E-03 1756 0.107E-02 0.278E-03
RMM: 10 -0.107609674158E+04 -0.11080E-03 -0.11791E-03 1964 0.149E-02 0.168E-03
RMM: 11 -0.107609683330E+04 -0.91720E-04 -0.96108E-04 1751 0.121E-02
263 T= 686. E= -.10762461E+04 F= -.10760968E+04 E0= -.10760771E+04 EK= 0.13744E+02 SP= -.14E+02 SK= 0.34E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107585253275E+04 0.24421E+00 -0.13085E+00 3687 0.112E+00 0.314E-01
RMM: 2 -0.107586124555E+04 -0.87128E-02 -0.10650E-01 4181 0.315E-01 0.242E-01
RMM: 3 -0.107586281823E+04 -0.15727E-02 -0.24310E-02 4201 0.118E-01 0.125E-01
RMM: 4 -0.107586319279E+04 -0.37457E-03 -0.50973E-03 3577 0.489E-02 0.484E-02
RMM: 5 -0.107586334989E+04 -0.15710E-03 -0.17863E-03 2838 0.235E-02 0.398E-02
RMM: 6 -0.107586342143E+04 -0.71536E-04 -0.12434E-03 2261 0.157E-02 0.191E-02
RMM: 7 -0.107586351294E+04 -0.91508E-04 -0.96880E-04 2042 0.134E-02
264 T= 669. E= -.10762146E+04 F= -.10758635E+04 E0= -.10758437E+04 EK= 0.13398E+02 SP= -.14E+02 SK= 0.29E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107605001488E+04 -0.18659E+00 -0.13307E+00 3752 0.110E+00 0.369E-01
RMM: 2 -0.107605839668E+04 -0.83818E-02 -0.11102E-01 4166 0.303E-01 0.287E-01
RMM: 3 -0.107605975035E+04 -0.13537E-02 -0.27162E-02 4150 0.119E-01 0.135E-01
RMM: 4 -0.107606039810E+04 -0.64775E-03 -0.61206E-03 3671 0.515E-02 0.979E-02
RMM: 5 -0.107606017243E+04 0.22567E-03 -0.18131E-03 2947 0.250E-02 0.610E-02
RMM: 6 -0.107606033122E+04 -0.15880E-03 -0.16349E-03 2748 0.191E-02 0.216E-02
RMM: 7 -0.107606040349E+04 -0.72270E-04 -0.10213E-03 2048 0.124E-02 0.137E-02
RMM: 8 -0.107606049891E+04 -0.95417E-04 -0.10734E-03 1992 0.115E-02 0.829E-03
RMM: 9 -0.107606059059E+04 -0.91685E-04 -0.89892E-04 1825 0.100E-02
265 T= 672. E= -.10762182E+04 F= -.10760606E+04 E0= -.10760400E+04 EK= 0.13464E+02 SP= -.14E+02 SK= 0.23E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107663876097E+04 -0.57826E+00 -0.97974E-01 3738 0.979E-01 0.286E-01
RMM: 2 -0.107664596729E+04 -0.72063E-02 -0.84439E-02 4116 0.269E-01 0.224E-01
RMM: 3 -0.107664772929E+04 -0.17620E-02 -0.22105E-02 4061 0.105E-01 0.132E-01
RMM: 4 -0.107664812840E+04 -0.39911E-03 -0.40703E-03 3452 0.440E-02 0.602E-02
RMM: 5 -0.107664813761E+04 -0.92074E-05 -0.16618E-03 2808 0.231E-02 0.346E-02
RMM: 6 -0.107664821233E+04 -0.74719E-04 -0.11146E-03 2123 0.147E-02 0.138E-02
RMM: 7 -0.107664830267E+04 -0.90348E-04 -0.94591E-04 2042 0.131E-02
266 T= 693. E= -.10762648E+04 F= -.10766483E+04 E0= -.10766283E+04 EK= 0.13891E+02 SP= -.14E+02 SK= 0.19E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107701309270E+04 -0.36488E+00 -0.10690E+00 3718 0.103E+00 0.320E-01
RMM: 2 -0.107702024862E+04 -0.71559E-02 -0.87472E-02 4117 0.283E-01 0.248E-01
RMM: 3 -0.107702184023E+04 -0.15916E-02 -0.24117E-02 4113 0.110E-01 0.139E-01
RMM: 4 -0.107702232402E+04 -0.48379E-03 -0.53874E-03 3540 0.471E-02 0.727E-02
RMM: 5 -0.107702232929E+04 -0.52689E-05 -0.22402E-03 2907 0.244E-02 0.441E-02
RMM: 6 -0.107702246162E+04 -0.13233E-03 -0.16611E-03 2242 0.155E-02 0.138E-02
RMM: 7 -0.107702259517E+04 -0.13356E-03 -0.13690E-03 2024 0.128E-02 0.848E-03
RMM: 8 -0.107702272529E+04 -0.13012E-03 -0.13516E-03 1890 0.104E-02 0.512E-03
RMM: 9 -0.107702283958E+04 -0.11429E-03 -0.11567E-03 1786 0.112E-02 0.250E-03
RMM: 10 -0.107702296373E+04 -0.12415E-03 -0.13094E-03 2101 0.170E-02 0.147E-03
RMM: 11 -0.107702307164E+04 -0.10791E-03 -0.11207E-03 1768 0.129E-02 0.132E-03
RMM: 12 -0.107702318326E+04 -0.11162E-03 -0.11820E-03 1876 0.145E-02 0.149E-03
RMM: 13 -0.107702328224E+04 -0.98975E-04 -0.10594E-03 1645 0.138E-02 0.228E-03
RMM: 14 -0.107702338475E+04 -0.10251E-03 -0.11105E-03 1726 0.160E-02 0.207E-03
RMM: 15 -0.107702347555E+04 -0.90806E-04 -0.98317E-04 1539 0.149E-02
267 T= 705. E= -.10762966E+04 F= -.10770235E+04 E0= -.10770044E+04 EK= 0.14122E+02 SP= -.13E+02 SK= 0.18E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107677013127E+04 0.25325E+00 -0.12246E+00 3732 0.113E+00 0.314E-01
RMM: 2 -0.107677842279E+04 -0.82915E-02 -0.99810E-02 4164 0.319E-01 0.240E-01
RMM: 3 -0.107678022800E+04 -0.18052E-02 -0.26611E-02 4208 0.121E-01 0.147E-01
RMM: 4 -0.107678051512E+04 -0.28712E-03 -0.52765E-03 3537 0.509E-02 0.615E-02
RMM: 5 -0.107678061749E+04 -0.10237E-03 -0.21905E-03 3086 0.263E-02 0.461E-02
RMM: 6 -0.107678066288E+04 -0.45388E-04 -0.12429E-03 2194 0.156E-02 0.250E-02
RMM: 7 -0.107678076123E+04 -0.98355E-04 -0.11313E-03 2217 0.145E-02 0.839E-03
RMM: 8 -0.107678085258E+04 -0.91347E-04 -0.95771E-04 1773 0.946E-03
268 T= 688. E= -.10762802E+04 F= -.10767809E+04 E0= -.10767621E+04 EK= 0.13783E+02 SP= -.13E+02 SK= 0.17E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107620012694E+04 0.58063E+00 -0.14703E+00 3712 0.124E+00 0.339E-01
RMM: 2 -0.107620853379E+04 -0.84069E-02 -0.10896E-01 4156 0.349E-01 0.251E-01
RMM: 3 -0.107621068047E+04 -0.21467E-02 -0.30751E-02 4272 0.136E-01 0.135E-01
RMM: 4 -0.107621107915E+04 -0.39868E-03 -0.54005E-03 3748 0.554E-02 0.769E-02
RMM: 5 -0.107621106135E+04 0.17805E-04 -0.17465E-03 3022 0.263E-02 0.465E-02
RMM: 6 -0.107621111586E+04 -0.54515E-04 -0.10348E-03 2272 0.167E-02 0.174E-02
RMM: 7 -0.107621118983E+04 -0.73971E-04 -0.81402E-04 2006 0.129E-02
269 T= 657. E= -.10762282E+04 F= -.10762112E+04 E0= -.10761922E+04 EK= 0.13164E+02 SP= -.13E+02 SK= 0.13E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107602194343E+04 0.18917E+00 -0.15077E+00 3712 0.122E+00 0.399E-01
RMM: 2 -0.107603047040E+04 -0.85270E-02 -0.11640E-01 4144 0.336E-01 0.303E-01
RMM: 3 -0.107603209794E+04 -0.16275E-02 -0.32080E-02 4125 0.132E-01 0.143E-01
RMM: 4 -0.107603263485E+04 -0.53691E-03 -0.68598E-03 3720 0.548E-02 0.768E-02
RMM: 5 -0.107603292545E+04 -0.29061E-03 -0.29285E-03 2965 0.254E-02 0.437E-02
RMM: 6 -0.107603305040E+04 -0.12494E-03 -0.21863E-03 2311 0.171E-02 0.161E-02
RMM: 7 -0.107603323077E+04 -0.18037E-03 -0.19089E-03 2089 0.142E-02 0.102E-02
RMM: 8 -0.107603341116E+04 -0.18039E-03 -0.18136E-03 1950 0.115E-02 0.743E-03
RMM: 9 -0.107603357829E+04 -0.16713E-03 -0.16893E-03 1871 0.114E-02 0.364E-03
RMM: 10 -0.107603374245E+04 -0.16416E-03 -0.16871E-03 1964 0.135E-02 0.201E-03
RMM: 11 -0.107603389405E+04 -0.15160E-03 -0.15490E-03 1810 0.118E-02 0.191E-03
RMM: 12 -0.107603404334E+04 -0.14929E-03 -0.15660E-03 1936 0.146E-02 0.225E-03
RMM: 13 -0.107603418132E+04 -0.13799E-03 -0.14597E-03 1670 0.141E-02 0.388E-03
RMM: 14 -0.107603431709E+04 -0.13577E-03 -0.14276E-03 1637 0.155E-02 0.285E-03
RMM: 15 -0.107603444370E+04 -0.12661E-03 -0.13591E-03 1658 0.171E-02 0.251E-03
RMM: 16 -0.107603456986E+04 -0.12616E-03 -0.13618E-03 1721 0.185E-02 0.240E-03
RMM: 17 -0.107603468892E+04 -0.11906E-03 -0.12829E-03 1604 0.166E-02 0.268E-03
RMM: 18 -0.107603480431E+04 -0.11539E-03 -0.12496E-03 1578 0.164E-02 0.338E-03
RMM: 19 -0.107603491536E+04 -0.11105E-03 -0.12006E-03 1527 0.160E-02 0.413E-03
RMM: 20 -0.107603502427E+04 -0.10891E-03 -0.11980E-03 1541 0.159E-02 0.477E-03
RMM: 21 -0.107603512335E+04 -0.99075E-04 -0.11321E-03 1551 0.155E-02 0.546E-03
RMM: 22 -0.107603522187E+04 -0.98522E-04 -0.10671E-03 1501 0.146E-02 0.616E-03
RMM: 23 -0.107603531569E+04 -0.93826E-04 -0.10234E-03 1505 0.150E-02 0.687E-03
RMM: 24 -0.107603540694E+04 -0.91243E-04 -0.10107E-03 1552 0.161E-02 0.759E-03
RMM: 25 -0.107603549406E+04 -0.87122E-04 -0.94817E-04 1495 0.151E-02
270 T= 645. E= -.10762240E+04 F= -.10760355E+04 E0= -.10760165E+04 EK= 0.12915E+02 SP= -.13E+02 SK= 0.69E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107631801724E+04 -0.28261E+00 -0.10256E+00 3778 0.106E+00 0.266E-01
RMM: 2 -0.107632627717E+04 -0.82599E-02 -0.90223E-02 4151 0.303E-01 0.211E-01
RMM: 3 -0.107632835001E+04 -0.20728E-02 -0.26230E-02 4212 0.117E-01 0.145E-01
RMM: 4 -0.107632863861E+04 -0.28861E-03 -0.54750E-03 3462 0.508E-02 0.523E-02
RMM: 5 -0.107632879501E+04 -0.15640E-03 -0.23421E-03 3139 0.268E-02 0.397E-02
RMM: 6 -0.107632885538E+04 -0.60368E-04 -0.11941E-03 2202 0.154E-02 0.241E-02
RMM: 7 -0.107632897344E+04 -0.11806E-03 -0.12819E-03 2333 0.151E-02 0.115E-02
RMM: 8 -0.107632905726E+04 -0.83822E-04 -0.90866E-04 1818 0.956E-03
271 T= 655. E= -.10762615E+04 F= -.10763291E+04 E0= -.10763102E+04 EK= 0.13120E+02 SP= -.13E+02 SK= 0.26E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107655708682E+04 -0.22811E+00 -0.10901E+00 3750 0.107E+00 0.306E-01
RMM: 2 -0.107656435676E+04 -0.72699E-02 -0.87471E-02 4157 0.298E-01 0.244E-01
RMM: 3 -0.107656599822E+04 -0.16415E-02 -0.23806E-02 4241 0.116E-01 0.161E-01
RMM: 4 -0.107656659790E+04 -0.59968E-03 -0.66770E-03 3553 0.516E-02 0.905E-02
RMM: 5 -0.107656642156E+04 0.17634E-03 -0.28718E-03 3145 0.286E-02 0.431E-02
RMM: 6 -0.107656656079E+04 -0.13923E-03 -0.19131E-03 2390 0.162E-02 0.251E-02
RMM: 7 -0.107656672050E+04 -0.15971E-03 -0.16706E-03 2264 0.139E-02 0.111E-02
RMM: 8 -0.107656686268E+04 -0.14218E-03 -0.15022E-03 1852 0.983E-03 0.629E-03
RMM: 9 -0.107656699244E+04 -0.12976E-03 -0.13226E-03 1755 0.106E-02 0.425E-03
RMM: 10 -0.107656713414E+04 -0.14170E-03 -0.14762E-03 2202 0.171E-02 0.308E-03
RMM: 11 -0.107656725532E+04 -0.12118E-03 -0.12408E-03 1740 0.110E-02 0.244E-03
RMM: 12 -0.107656737962E+04 -0.12430E-03 -0.13014E-03 1867 0.134E-02 0.215E-03
RMM: 13 -0.107656749006E+04 -0.11044E-03 -0.11549E-03 1533 0.120E-02 0.268E-03
RMM: 14 -0.107656760303E+04 -0.11297E-03 -0.11906E-03 1580 0.141E-02 0.327E-03
RMM: 15 -0.107656770540E+04 -0.10237E-03 -0.10946E-03 1477 0.140E-02 0.411E-03
RMM: 16 -0.107656780620E+04 -0.10080E-03 -0.10859E-03 1505 0.150E-02 0.421E-03
RMM: 17 -0.107656790090E+04 -0.94705E-04 -0.10139E-03 1511 0.156E-02 0.582E-03
RMM: 18 -0.107656799896E+04 -0.98054E-04 -0.10372E-03 1785 0.170E-02 0.847E-03
RMM: 19 -0.107656808881E+04 -0.89858E-04 -0.95066E-04 1713 0.156E-02
272 T= 665. E= -.10762742E+04 F= -.10765681E+04 E0= -.10765492E+04 EK= 0.13318E+02 SP= -.13E+02 SK= 0.66E-03
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107649441287E+04 0.73586E-01 -0.11337E+00 3744 0.111E+00 0.297E-01
RMM: 2 -0.107650160341E+04 -0.71905E-02 -0.86510E-02 4148 0.311E-01 0.231E-01
RMM: 3 -0.107650309584E+04 -0.14924E-02 -0.22836E-02 4231 0.119E-01 0.148E-01
RMM: 4 -0.107650326300E+04 -0.16716E-03 -0.51241E-03 3470 0.507E-02 0.588E-02
RMM: 5 -0.107650339286E+04 -0.12986E-03 -0.22759E-03 3131 0.274E-02 0.481E-02
RMM: 6 -0.107650341428E+04 -0.21415E-04 -0.10861E-03 2257 0.156E-02 0.302E-02
RMM: 7 -0.107650351575E+04 -0.10147E-03 -0.13685E-03 2547 0.172E-02 0.148E-02
RMM: 8 -0.107650359416E+04 -0.78404E-04 -0.90099E-04 1833 0.102E-02
273 T= 661. E= -.10762661E+04 F= -.10765036E+04 E0= -.10764844E+04 EK= 0.13250E+02 SP= -.13E+02 SK= 0.41E-05
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107619210387E+04 0.31141E+00 -0.98812E-01 3737 0.107E+00 0.249E-01
RMM: 2 -0.107619817919E+04 -0.60753E-02 -0.72693E-02 4139 0.300E-01 0.183E-01
RMM: 3 -0.107619976363E+04 -0.15844E-02 -0.20176E-02 4206 0.116E-01 0.128E-01
RMM: 4 -0.107620011264E+04 -0.34901E-03 -0.49214E-03 3597 0.482E-02 0.757E-02
RMM: 5 -0.107620013855E+04 -0.25902E-04 -0.24263E-03 3005 0.264E-02 0.365E-02
RMM: 6 -0.107620025650E+04 -0.11795E-03 -0.15753E-03 2198 0.155E-02 0.215E-02
RMM: 7 -0.107620038541E+04 -0.12891E-03 -0.14097E-03 2043 0.129E-02 0.119E-02
RMM: 8 -0.107620051104E+04 -0.12563E-03 -0.13266E-03 1889 0.108E-02 0.425E-03
RMM: 9 -0.107620063216E+04 -0.12112E-03 -0.12459E-03 1846 0.112E-02 0.290E-03
RMM: 10 -0.107620075592E+04 -0.12376E-03 -0.13063E-03 1992 0.150E-02 0.184E-03
RMM: 11 -0.107620087441E+04 -0.11850E-03 -0.12421E-03 1804 0.133E-02 0.145E-03
RMM: 12 -0.107620099033E+04 -0.11591E-03 -0.12220E-03 1749 0.131E-02 0.153E-03
RMM: 13 -0.107620110194E+04 -0.11161E-03 -0.11865E-03 1602 0.134E-02 0.179E-03
RMM: 14 -0.107620121599E+04 -0.11405E-03 -0.12361E-03 1637 0.152E-02 0.276E-03
RMM: 15 -0.107620132826E+04 -0.11227E-03 -0.12437E-03 1561 0.151E-02 0.234E-03
RMM: 16 -0.107620142818E+04 -0.99920E-04 -0.11839E-03 1587 0.159E-02 0.233E-03
RMM: 17 -0.107620153267E+04 -0.10450E-03 -0.11458E-03 1617 0.172E-02 0.216E-03
RMM: 18 -0.107620163645E+04 -0.10378E-03 -0.11191E-03 1588 0.165E-02 0.215E-03
RMM: 19 -0.107620173849E+04 -0.10204E-03 -0.11011E-03 1583 0.169E-02 0.229E-03
RMM: 20 -0.107620183916E+04 -0.10067E-03 -0.10877E-03 1535 0.166E-02 0.278E-03
RMM: 21 -0.107620193976E+04 -0.10061E-03 -0.10884E-03 1574 0.161E-02 0.322E-03
RMM: 22 -0.107620203501E+04 -0.95250E-04 -0.10193E-03 1438 0.140E-02 0.364E-03
RMM: 23 -0.107620212902E+04 -0.94008E-04 -0.10153E-03 1489 0.152E-02 0.413E-03
RMM: 24 -0.107620222302E+04 -0.93998E-04 -0.10203E-03 1548 0.158E-02 0.457E-03
RMM: 25 -0.107620231380E+04 -0.90784E-04 -0.98166E-04 1472 0.144E-02
274 T= 647. E= -.10762556E+04 F= -.10762023E+04 E0= -.10761821E+04 EK= 0.12967E+02 SP= -.13E+02 SK= 0.72E-03
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107583236033E+04 0.36986E+00 -0.10640E+00 3758 0.117E+00 0.240E-01
RMM: 2 -0.107584056295E+04 -0.82026E-02 -0.87749E-02 4136 0.333E-01 0.177E-01
RMM: 3 -0.107584248654E+04 -0.19236E-02 -0.22236E-02 4283 0.129E-01 0.137E-01
RMM: 4 -0.107584272331E+04 -0.23677E-03 -0.52377E-03 3568 0.534E-02 0.540E-02
RMM: 5 -0.107584293507E+04 -0.21175E-03 -0.24892E-03 3134 0.289E-02 0.410E-02
RMM: 6 -0.107584297583E+04 -0.40761E-04 -0.13570E-03 2229 0.166E-02 0.248E-02
RMM: 7 -0.107584308837E+04 -0.11254E-03 -0.13584E-03 2471 0.160E-02 0.111E-02
RMM: 8 -0.107584318766E+04 -0.99288E-04 -0.10601E-03 1795 0.967E-03 0.581E-03
RMM: 9 -0.107584328476E+04 -0.97107E-04 -0.10190E-03 1813 0.103E-02 0.425E-03
RMM: 10 -0.107584338184E+04 -0.97076E-04 -0.10256E-03 1921 0.129E-02 0.410E-03
RMM: 11 -0.107584347488E+04 -0.93037E-04 -0.98973E-04 1808 0.125E-02
275 T= 632. E= -.10762318E+04 F= -.10758435E+04 E0= -.10758230E+04 EK= 0.12665E+02 SP= -.13E+02 SK= 0.41E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107578374966E+04 0.59632E-01 -0.12392E+00 3746 0.121E+00 0.310E-01
RMM: 2 -0.107579138409E+04 -0.76344E-02 -0.94946E-02 4145 0.341E-01 0.242E-01
RMM: 3 -0.107579270260E+04 -0.13185E-02 -0.22777E-02 4270 0.129E-01 0.161E-01
RMM: 4 -0.107579292702E+04 -0.22443E-03 -0.59621E-03 3539 0.567E-02 0.589E-02
RMM: 5 -0.107579308814E+04 -0.16111E-03 -0.22779E-03 3157 0.290E-02 0.518E-02
RMM: 6 -0.107579310838E+04 -0.20244E-04 -0.12476E-03 2365 0.171E-02 0.320E-02
RMM: 7 -0.107579321279E+04 -0.10440E-03 -0.11838E-03 2367 0.156E-02 0.118E-02
RMM: 8 -0.107579329820E+04 -0.85410E-04 -0.94779E-04 1827 0.100E-02
276 T= 634. E= -.10762170E+04 F= -.10757933E+04 E0= -.10757730E+04 EK= 0.12694E+02 SP= -.13E+02 SK= 0.11E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107624568097E+04 -0.45247E+00 -0.99840E-01 3723 0.111E+00 0.274E-01
RMM: 2 -0.107625181385E+04 -0.61329E-02 -0.74840E-02 4104 0.303E-01 0.217E-01
RMM: 3 -0.107625300883E+04 -0.11950E-02 -0.17827E-02 4162 0.116E-01 0.146E-01
RMM: 4 -0.107625335660E+04 -0.34777E-03 -0.54372E-03 3492 0.508E-02 0.626E-02
RMM: 5 -0.107625344962E+04 -0.93021E-04 -0.26501E-03 3053 0.270E-02 0.420E-02
RMM: 6 -0.107625357074E+04 -0.12112E-03 -0.17705E-03 2148 0.156E-02 0.259E-02
RMM: 7 -0.107625373041E+04 -0.15967E-03 -0.17018E-03 2268 0.156E-02 0.111E-02
RMM: 8 -0.107625387258E+04 -0.14217E-03 -0.15140E-03 1885 0.104E-02 0.613E-03
RMM: 9 -0.107625400946E+04 -0.13688E-03 -0.14012E-03 1766 0.103E-02 0.437E-03
RMM: 10 -0.107625415097E+04 -0.14151E-03 -0.14769E-03 2157 0.158E-02 0.348E-03
RMM: 11 -0.107625428082E+04 -0.12985E-03 -0.13482E-03 1784 0.123E-02 0.266E-03
RMM: 12 -0.107625441069E+04 -0.12987E-03 -0.13635E-03 1848 0.140E-02 0.228E-03
RMM: 13 -0.107625453327E+04 -0.12258E-03 -0.12842E-03 1596 0.134E-02 0.303E-03
RMM: 14 -0.107625465596E+04 -0.12269E-03 -0.13061E-03 1696 0.162E-02 0.343E-03
RMM: 15 -0.107625477604E+04 -0.12007E-03 -0.12911E-03 1654 0.168E-02 0.406E-03
RMM: 16 -0.107625489104E+04 -0.11500E-03 -0.12278E-03 1532 0.154E-02 0.490E-03
RMM: 17 -0.107625500179E+04 -0.11076E-03 -0.11988E-03 1602 0.173E-02 0.556E-03
RMM: 18 -0.107625511372E+04 -0.11193E-03 -0.11998E-03 1773 0.179E-02 0.597E-03
RMM: 19 -0.107625522151E+04 -0.10779E-03 -0.11623E-03 1658 0.170E-02 0.628E-03
RMM: 20 -0.107625532787E+04 -0.10636E-03 -0.11403E-03 1581 0.164E-02 0.664E-03
RMM: 21 -0.107625543279E+04 -0.10491E-03 -0.11237E-03 1536 0.155E-02 0.718E-03
RMM: 22 -0.107625553211E+04 -0.99325E-04 -0.10642E-03 1462 0.148E-02 0.769E-03
RMM: 23 -0.107625563048E+04 -0.98367E-04 -0.10675E-03 1569 0.157E-02 0.818E-03
RMM: 24 -0.107625572604E+04 -0.95560E-04 -0.10258E-03 1496 0.146E-02 0.867E-03
RMM: 25 -0.107625581799E+04 -0.91946E-04 -0.99344E-04 1491 0.150E-02
277 T= 660. E= -.10762501E+04 F= -.10762558E+04 E0= -.10762347E+04 EK= 0.13220E+02 SP= -.13E+02 SK= 0.19E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107680434548E+04 -0.54862E+00 -0.10131E+00 3756 0.115E+00 0.264E-01
RMM: 2 -0.107681112970E+04 -0.67842E-02 -0.77882E-02 4092 0.305E-01 0.206E-01
RMM: 3 -0.107681252041E+04 -0.13907E-02 -0.18973E-02 4075 0.118E-01 0.149E-01
RMM: 4 -0.107681284796E+04 -0.32755E-03 -0.54697E-03 3551 0.515E-02 0.653E-02
RMM: 5 -0.107681297367E+04 -0.12571E-03 -0.27407E-03 3073 0.276E-02 0.367E-02
RMM: 6 -0.107681308845E+04 -0.11478E-03 -0.16924E-03 2218 0.158E-02 0.225E-02
RMM: 7 -0.107681324137E+04 -0.15292E-03 -0.16652E-03 2203 0.143E-02 0.126E-02
RMM: 8 -0.107681337866E+04 -0.13728E-03 -0.14508E-03 1931 0.108E-02 0.552E-03
RMM: 9 -0.107681351437E+04 -0.13572E-03 -0.14103E-03 1837 0.106E-02 0.357E-03
RMM: 10 -0.107681364387E+04 -0.12950E-03 -0.13597E-03 2024 0.145E-02 0.242E-03
RMM: 11 -0.107681377619E+04 -0.13233E-03 -0.13931E-03 1895 0.145E-02 0.245E-03
RMM: 12 -0.107681389771E+04 -0.12152E-03 -0.12623E-03 1636 0.112E-02 0.209E-03
RMM: 13 -0.107681401755E+04 -0.11984E-03 -0.12595E-03 1599 0.128E-02 0.291E-03
RMM: 14 -0.107681413353E+04 -0.11598E-03 -0.12360E-03 1660 0.151E-02 0.294E-03
RMM: 15 -0.107681424630E+04 -0.11277E-03 -0.12041E-03 1554 0.153E-02 0.322E-03
RMM: 16 -0.107681435513E+04 -0.10883E-03 -0.11773E-03 1623 0.169E-02 0.320E-03
RMM: 17 -0.107681446359E+04 -0.10847E-03 -0.11790E-03 1710 0.177E-02 0.293E-03
RMM: 18 -0.107681456656E+04 -0.10297E-03 -0.11146E-03 1606 0.168E-02 0.308E-03
RMM: 19 -0.107681466936E+04 -0.10280E-03 -0.11106E-03 1570 0.171E-02 0.351E-03
RMM: 20 -0.107681476905E+04 -0.99683E-04 -0.10761E-03 1590 0.169E-02 0.397E-03
RMM: 21 -0.107681486668E+04 -0.97628E-04 -0.10574E-03 1529 0.162E-02 0.445E-03
RMM: 22 -0.107681496062E+04 -0.93944E-04 -0.10142E-03 1521 0.158E-02 0.499E-03
RMM: 23 -0.107681505491E+04 -0.94292E-04 -0.10282E-03 1591 0.161E-02 0.541E-03
RMM: 24 -0.107681514339E+04 -0.88478E-04 -0.95575E-04 1489 0.145E-02
278 T= 692. E= -.10762897E+04 F= -.10768151E+04 E0= -.10767919E+04 EK= 0.13862E+02 SP= -.13E+02 SK= 0.24E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107695075937E+04 -0.13570E+00 -0.12460E+00 3716 0.121E+00 0.327E-01
RMM: 2 -0.107695781747E+04 -0.70581E-02 -0.93077E-02 4097 0.330E-01 0.257E-01
RMM: 3 -0.107695903181E+04 -0.12143E-02 -0.22018E-02 4168 0.125E-01 0.179E-01
RMM: 4 -0.107695938597E+04 -0.35416E-03 -0.62010E-03 3575 0.542E-02 0.100E-01
RMM: 5 -0.107695926821E+04 0.11776E-03 -0.28979E-03 3184 0.306E-02 0.512E-02
RMM: 6 -0.107695935007E+04 -0.81858E-04 -0.15287E-03 2335 0.162E-02 0.287E-02
RMM: 7 -0.107695948013E+04 -0.13007E-03 -0.14776E-03 2295 0.138E-02 0.126E-02
RMM: 8 -0.107695959041E+04 -0.11027E-03 -0.12087E-03 1916 0.104E-02 0.617E-03
RMM: 9 -0.107695970381E+04 -0.11340E-03 -0.11828E-03 1894 0.118E-02 0.403E-03
RMM: 10 -0.107695981791E+04 -0.11410E-03 -0.12234E-03 2111 0.158E-02 0.226E-03
RMM: 11 -0.107695992657E+04 -0.10866E-03 -0.11280E-03 1757 0.110E-02 0.201E-03
RMM: 12 -0.107696002992E+04 -0.10335E-03 -0.10976E-03 1743 0.124E-02 0.186E-03
RMM: 13 -0.107696012958E+04 -0.99661E-04 -0.10517E-03 1564 0.123E-02 0.200E-03
RMM: 14 -0.107696022834E+04 -0.98762E-04 -0.10605E-03 1691 0.147E-02 0.248E-03
RMM: 15 -0.107696032246E+04 -0.94115E-04 -0.10122E-03 1548 0.139E-02 0.235E-03
RMM: 16 -0.107696041269E+04 -0.90230E-04 -0.98334E-04 1606 0.154E-02
279 T= 706. E= -.10762911E+04 F= -.10769604E+04 E0= -.10769368E+04 EK= 0.14138E+02 SP= -.13E+02 SK= 0.25E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107667812493E+04 0.28220E+00 -0.14175E+00 3679 0.131E+00 0.320E-01
RMM: 2 -0.107668613564E+04 -0.80107E-02 -0.10200E-01 4110 0.369E-01 0.244E-01
RMM: 3 -0.107668748678E+04 -0.13511E-02 -0.22067E-02 4211 0.136E-01 0.160E-01
RMM: 4 -0.107668760891E+04 -0.12214E-03 -0.55542E-03 3571 0.589E-02 0.508E-02
RMM: 5 -0.107668780535E+04 -0.19644E-03 -0.22997E-03 3253 0.288E-02 0.419E-02
RMM: 6 -0.107668785694E+04 -0.51592E-04 -0.12812E-03 2125 0.159E-02 0.264E-02
RMM: 7 -0.107668797257E+04 -0.11563E-03 -0.13747E-03 2427 0.158E-02 0.108E-02
RMM: 8 -0.107668807290E+04 -0.10033E-03 -0.10807E-03 1844 0.995E-03 0.690E-03
RMM: 9 -0.107668817345E+04 -0.10055E-03 -0.10508E-03 1788 0.101E-02 0.635E-03
RMM: 10 -0.107668827640E+04 -0.10295E-03 -0.10944E-03 2111 0.150E-02 0.549E-03
RMM: 11 -0.107668837311E+04 -0.96718E-04 -0.10239E-03 1796 0.119E-02 0.285E-03
RMM: 12 -0.107668846942E+04 -0.96304E-04 -0.10336E-03 1948 0.145E-02 0.197E-03
RMM: 13 -0.107668856427E+04 -0.94857E-04 -0.10106E-03 1632 0.140E-02 0.224E-03
RMM: 14 -0.107668865646E+04 -0.92189E-04 -0.10139E-03 1736 0.172E-02 0.288E-03
RMM: 15 -0.107668874987E+04 -0.93409E-04 -0.10359E-03 1668 0.171E-02 0.297E-03
RMM: 16 -0.107668883645E+04 -0.86573E-04 -0.93567E-04 1533 0.152E-02
280 T= 700. E= -.10762599E+04 F= -.10766888E+04 E0= -.10766672E+04 EK= 0.14029E+02 SP= -.14E+02 SK= 0.25E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107640930650E+04 0.27944E+00 -0.14648E+00 3607 0.134E+00 0.343E-01
RMM: 2 -0.107641763755E+04 -0.83310E-02 -0.10587E-01 4145 0.380E-01 0.268E-01
RMM: 3 -0.107641887457E+04 -0.12370E-02 -0.22640E-02 4259 0.141E-01 0.175E-01
RMM: 4 -0.107641912190E+04 -0.24734E-03 -0.56705E-03 3726 0.628E-02 0.754E-02
RMM: 5 -0.107641914470E+04 -0.22799E-04 -0.24015E-03 3243 0.305E-02 0.516E-02
RMM: 6 -0.107641917789E+04 -0.33191E-04 -0.11565E-03 2292 0.173E-02 0.283E-02
RMM: 7 -0.107641928439E+04 -0.10650E-03 -0.11816E-03 2276 0.151E-02 0.934E-03
RMM: 8 -0.107641937558E+04 -0.91190E-04 -0.95272E-04 1856 0.994E-03
281 T= 694. E= -.10762395E+04 F= -.10764194E+04 E0= -.10763999E+04 EK= 0.13911E+02 SP= -.14E+02 SK= 0.26E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107642816308E+04 -0.88787E-02 -0.13183E+00 3586 0.127E+00 0.325E-01
RMM: 2 -0.107643526313E+04 -0.71001E-02 -0.93026E-02 4112 0.350E-01 0.255E-01
RMM: 3 -0.107643625999E+04 -0.99686E-03 -0.19787E-02 4224 0.132E-01 0.154E-01
RMM: 4 -0.107643651861E+04 -0.25862E-03 -0.57667E-03 3651 0.585E-02 0.573E-02
RMM: 5 -0.107643672459E+04 -0.20599E-03 -0.26307E-03 3112 0.277E-02 0.435E-02
RMM: 6 -0.107643684503E+04 -0.12043E-03 -0.17189E-03 2165 0.165E-02 0.253E-02
RMM: 7 -0.107643701403E+04 -0.16900E-03 -0.17412E-03 2186 0.150E-02 0.978E-03
RMM: 8 -0.107643715910E+04 -0.14507E-03 -0.14911E-03 1870 0.996E-03 0.708E-03
RMM: 9 -0.107643730403E+04 -0.14494E-03 -0.14696E-03 1860 0.116E-02 0.592E-03
RMM: 10 -0.107643744921E+04 -0.14518E-03 -0.15144E-03 2285 0.174E-02 0.334E-03
RMM: 11 -0.107643758590E+04 -0.13669E-03 -0.14184E-03 1802 0.116E-02 0.228E-03
RMM: 12 -0.107643771878E+04 -0.13288E-03 -0.14068E-03 1902 0.140E-02 0.298E-03
RMM: 13 -0.107643784799E+04 -0.12921E-03 -0.13946E-03 1767 0.148E-02 0.315E-03
RMM: 14 -0.107643797473E+04 -0.12674E-03 -0.13601E-03 1756 0.168E-02 0.371E-03
RMM: 15 -0.107643810146E+04 -0.12673E-03 -0.13568E-03 1641 0.164E-02 0.412E-03
RMM: 16 -0.107643822104E+04 -0.11959E-03 -0.12652E-03 1599 0.156E-02 0.416E-03
RMM: 17 -0.107643834137E+04 -0.12033E-03 -0.12913E-03 1683 0.176E-02 0.425E-03
RMM: 18 -0.107643846048E+04 -0.11911E-03 -0.12842E-03 1729 0.176E-02 0.446E-03
RMM: 19 -0.107643857632E+04 -0.11584E-03 -0.12295E-03 1541 0.148E-02 0.453E-03
RMM: 20 -0.107643868938E+04 -0.11306E-03 -0.12140E-03 1541 0.155E-02 0.491E-03
RMM: 21 -0.107643880000E+04 -0.11062E-03 -0.12027E-03 1535 0.151E-02 0.535E-03
RMM: 22 -0.107643890689E+04 -0.10689E-03 -0.11393E-03 1498 0.143E-02 0.575E-03
RMM: 23 -0.107643901412E+04 -0.10723E-03 -0.11523E-03 1576 0.154E-02 0.620E-03
RMM: 24 -0.107643911878E+04 -0.10466E-03 -0.11204E-03 1540 0.146E-02 0.663E-03
RMM: 25 -0.107643921941E+04 -0.10063E-03 -0.10737E-03 1475 0.140E-02 0.710E-03
RMM: 26 -0.107643932004E+04 -0.10063E-03 -0.10818E-03 1542 0.157E-02 0.758E-03
RMM: 27 -0.107643941866E+04 -0.98622E-04 -0.10601E-03 1479 0.152E-02 0.802E-03
RMM: 28 -0.107643951501E+04 -0.96342E-04 -0.10418E-03 1496 0.157E-02 0.844E-03
RMM: 29 -0.107643961012E+04 -0.95117E-04 -0.10307E-03 1499 0.162E-02 0.888E-03
RMM: 30 -0.107643970494E+04 -0.94815E-04 -0.10355E-03 1536 0.165E-02 0.934E-03
RMM: 31 -0.107643979876E+04 -0.93825E-04 -0.10286E-03 1472 0.155E-02 0.975E-03
RMM: 32 -0.107643989223E+04 -0.93471E-04 -0.10482E-03 1480 0.158E-02 0.102E-02
RMM: 33 -0.107643997535E+04 -0.83120E-04 -0.99806E-04 1501 0.161E-02
282 T= 702. E= -.10762461E+04 F= -.10764400E+04 E0= -.10764209E+04 EK= 0.14061E+02 SP= -.14E+02 SK= 0.27E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107666908157E+04 -0.22919E+00 -0.12495E+00 3601 0.124E+00 0.317E-01
RMM: 2 -0.107667540238E+04 -0.63208E-02 -0.84158E-02 4099 0.326E-01 0.247E-01
RMM: 3 -0.107667627563E+04 -0.87325E-03 -0.17535E-02 4119 0.122E-01 0.153E-01
RMM: 4 -0.107667636106E+04 -0.85424E-04 -0.42482E-03 3503 0.528E-02 0.475E-02
RMM: 5 -0.107667648289E+04 -0.12183E-03 -0.15353E-03 3051 0.254E-02 0.337E-02
RMM: 6 -0.107667652597E+04 -0.43081E-04 -0.76174E-04 2075 0.148E-02
283 T= 720. E= -.10762663E+04 F= -.10766765E+04 E0= -.10766573E+04 EK= 0.14416E+02 SP= -.14E+02 SK= 0.26E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107685122151E+04 -0.17474E+00 -0.10975E+00 3662 0.115E+00 0.292E-01
RMM: 2 -0.107685685102E+04 -0.56295E-02 -0.73881E-02 4119 0.300E-01 0.224E-01
RMM: 3 -0.107685765822E+04 -0.80720E-03 -0.16703E-02 4209 0.113E-01 0.152E-01
RMM: 4 -0.107685772641E+04 -0.68193E-04 -0.59022E-03 3382 0.521E-02 0.482E-02
RMM: 5 -0.107685793807E+04 -0.21166E-03 -0.25643E-03 3126 0.269E-02 0.402E-02
RMM: 6 -0.107685807374E+04 -0.13567E-03 -0.17967E-03 2129 0.154E-02 0.286E-02
RMM: 7 -0.107685824211E+04 -0.16837E-03 -0.18820E-03 2627 0.172E-02 0.170E-02
RMM: 8 -0.107685837947E+04 -0.13736E-03 -0.15602E-03 1876 0.105E-02 0.759E-03
RMM: 9 -0.107685851689E+04 -0.13743E-03 -0.14245E-03 1788 0.904E-03 0.577E-03
RMM: 10 -0.107685865444E+04 -0.13755E-03 -0.13952E-03 1887 0.106E-02 0.532E-03
RMM: 11 -0.107685878051E+04 -0.12607E-03 -0.13229E-03 1846 0.120E-02 0.251E-03
RMM: 12 -0.107685890245E+04 -0.12194E-03 -0.12893E-03 1854 0.134E-02 0.172E-03
RMM: 13 -0.107685901931E+04 -0.11686E-03 -0.12420E-03 1702 0.142E-02 0.214E-03
RMM: 14 -0.107685913430E+04 -0.11499E-03 -0.12485E-03 1715 0.164E-02 0.289E-03
RMM: 15 -0.107685924054E+04 -0.10625E-03 -0.11941E-03 1639 0.164E-02 0.324E-03
RMM: 16 -0.107685934389E+04 -0.10335E-03 -0.11021E-03 1566 0.154E-02 0.385E-03
RMM: 17 -0.107685944543E+04 -0.10154E-03 -0.10993E-03 1607 0.171E-02 0.449E-03
RMM: 18 -0.107685954393E+04 -0.98497E-04 -0.10612E-03 1571 0.170E-02 0.492E-03
RMM: 19 -0.107685964176E+04 -0.97827E-04 -0.10603E-03 1622 0.172E-02 0.547E-03
RMM: 20 -0.107685973409E+04 -0.92330E-04 -0.99286E-04 1490 0.151E-02
284 T= 735. E= -.10762793E+04 F= -.10768597E+04 E0= -.10768406E+04 EK= 0.14720E+02 SP= -.14E+02 SK= 0.21E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107676834113E+04 0.91301E-01 -0.10830E+00 3583 0.118E+00 0.273E-01
RMM: 2 -0.107677404691E+04 -0.57058E-02 -0.71189E-02 4148 0.311E-01 0.201E-01
RMM: 3 -0.107677499552E+04 -0.94862E-03 -0.15714E-02 4146 0.115E-01 0.144E-01
RMM: 4 -0.107677514507E+04 -0.14955E-03 -0.51399E-03 3614 0.511E-02 0.767E-02
RMM: 5 -0.107677524956E+04 -0.10449E-03 -0.28150E-03 3156 0.279E-02 0.420E-02
RMM: 6 -0.107677537254E+04 -0.12298E-03 -0.17173E-03 2134 0.156E-02 0.281E-02
RMM: 7 -0.107677553161E+04 -0.15906E-03 -0.17618E-03 2130 0.137E-02 0.135E-02
RMM: 8 -0.107677567390E+04 -0.14229E-03 -0.15081E-03 1906 0.107E-02 0.664E-03
RMM: 9 -0.107677581859E+04 -0.14469E-03 -0.15011E-03 1773 0.109E-02 0.382E-03
RMM: 10 -0.107677596162E+04 -0.14303E-03 -0.15048E-03 2046 0.156E-02 0.327E-03
RMM: 11 -0.107677610075E+04 -0.13913E-03 -0.14420E-03 1756 0.118E-02 0.251E-03
RMM: 12 -0.107677623367E+04 -0.13293E-03 -0.14012E-03 1868 0.139E-02 0.188E-03
RMM: 13 -0.107677636424E+04 -0.13057E-03 -0.13706E-03 1597 0.135E-02 0.247E-03
RMM: 14 -0.107677648983E+04 -0.12558E-03 -0.13572E-03 1708 0.171E-02 0.276E-03
RMM: 15 -0.107677661442E+04 -0.12459E-03 -0.13337E-03 1578 0.162E-02 0.361E-03
RMM: 16 -0.107677673341E+04 -0.11899E-03 -0.12644E-03 1550 0.160E-02 0.422E-03
RMM: 17 -0.107677684899E+04 -0.11559E-03 -0.12373E-03 1504 0.169E-02 0.484E-03
RMM: 18 -0.107677696404E+04 -0.11505E-03 -0.12300E-03 1635 0.182E-02 0.529E-03
RMM: 19 -0.107677707673E+04 -0.11269E-03 -0.11986E-03 1517 0.162E-02 0.577E-03
RMM: 20 -0.107677718548E+04 -0.10875E-03 -0.11540E-03 1503 0.156E-02 0.619E-03
RMM: 21 -0.107677729093E+04 -0.10545E-03 -0.11206E-03 1440 0.148E-02 0.668E-03
RMM: 22 -0.107677739313E+04 -0.10220E-03 -0.10971E-03 1479 0.155E-02 0.716E-03
RMM: 23 -0.107677749443E+04 -0.10130E-03 -0.10882E-03 1499 0.153E-02 0.764E-03
RMM: 24 -0.107677759140E+04 -0.96967E-04 -0.10434E-03 1421 0.143E-02 0.811E-03
RMM: 25 -0.107677768402E+04 -0.92622E-04 -0.10219E-03 1473 0.153E-02 0.857E-03
RMM: 26 -0.107677777599E+04 -0.91972E-04 -0.99597E-04 1491 0.157E-02
285 T= 736. E= -.10762825E+04 F= -.10767778E+04 E0= -.10767588E+04 EK= 0.14753E+02 SP= -.14E+02 SK= 0.16E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107639769639E+04 0.37999E+00 -0.10473E+00 3513 0.115E+00 0.244E-01
RMM: 2 -0.107640401323E+04 -0.63168E-02 -0.74868E-02 4122 0.323E-01 0.176E-01
RMM: 3 -0.107640525384E+04 -0.12406E-02 -0.15095E-02 4159 0.116E-01 0.129E-01
RMM: 4 -0.107640555857E+04 -0.30473E-03 -0.45517E-03 3712 0.504E-02 0.769E-02
RMM: 5 -0.107640556993E+04 -0.11367E-04 -0.22457E-03 3071 0.268E-02 0.312E-02
RMM: 6 -0.107640567869E+04 -0.10876E-03 -0.14165E-03 2073 0.155E-02 0.182E-02
RMM: 7 -0.107640579720E+04 -0.11851E-03 -0.13310E-03 2081 0.129E-02 0.703E-03
RMM: 8 -0.107640591217E+04 -0.11497E-03 -0.11761E-03 1796 0.891E-03 0.490E-03
RMM: 9 -0.107640601862E+04 -0.10645E-03 -0.10904E-03 1704 0.867E-03 0.308E-03
RMM: 10 -0.107640612419E+04 -0.10557E-03 -0.11033E-03 1884 0.120E-02 0.193E-03
RMM: 11 -0.107640622535E+04 -0.10116E-03 -0.10596E-03 1806 0.118E-02 0.135E-03
RMM: 12 -0.107640632395E+04 -0.98607E-04 -0.10428E-03 1834 0.126E-02 0.116E-03
RMM: 13 -0.107640641810E+04 -0.94147E-04 -0.99726E-04 1604 0.124E-02
286 T= 724. E= -.10762630E+04 F= -.10764064E+04 E0= -.10763874E+04 EK= 0.14502E+02 SP= -.14E+02 SK= 0.12E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107604879790E+04 0.35753E+00 -0.12333E+00 3496 0.120E+00 0.299E-01
RMM: 2 -0.107605549773E+04 -0.66998E-02 -0.86998E-02 4125 0.336E-01 0.230E-01
RMM: 3 -0.107605661177E+04 -0.11140E-02 -0.18065E-02 4146 0.121E-01 0.162E-01
RMM: 4 -0.107605696998E+04 -0.35821E-03 -0.63573E-03 3735 0.553E-02 0.941E-02
RMM: 5 -0.107605699835E+04 -0.28371E-04 -0.32797E-03 3152 0.276E-02 0.422E-02
RMM: 6 -0.107605720692E+04 -0.20857E-03 -0.24010E-03 2249 0.162E-02 0.230E-02
RMM: 7 -0.107605741806E+04 -0.21114E-03 -0.22385E-03 1997 0.122E-02 0.110E-02
RMM: 8 -0.107605761605E+04 -0.19800E-03 -0.20347E-03 1913 0.105E-02 0.552E-03
RMM: 9 -0.107605781177E+04 -0.19571E-03 -0.19968E-03 1856 0.119E-02 0.296E-03
RMM: 10 -0.107605800123E+04 -0.18946E-03 -0.19792E-03 2167 0.165E-02 0.181E-03
RMM: 11 -0.107605818137E+04 -0.18014E-03 -0.18379E-03 1774 0.110E-02 0.173E-03
RMM: 12 -0.107605835316E+04 -0.17179E-03 -0.17903E-03 1913 0.142E-02 0.225E-03
RMM: 13 -0.107605851732E+04 -0.16416E-03 -0.16935E-03 1539 0.125E-02 0.311E-03
RMM: 14 -0.107605867473E+04 -0.15740E-03 -0.16611E-03 1693 0.164E-02 0.311E-03
RMM: 15 -0.107605882842E+04 -0.15370E-03 -0.16219E-03 1626 0.160E-02 0.298E-03
RMM: 16 -0.107605897342E+04 -0.14500E-03 -0.15364E-03 1644 0.162E-02 0.319E-03
RMM: 17 -0.107605911551E+04 -0.14209E-03 -0.15254E-03 1601 0.172E-02 0.365E-03
RMM: 18 -0.107605924891E+04 -0.13340E-03 -0.14650E-03 1656 0.177E-02 0.395E-03
RMM: 19 -0.107605937950E+04 -0.13059E-03 -0.13762E-03 1481 0.150E-02 0.458E-03
RMM: 20 -0.107605950468E+04 -0.12519E-03 -0.13247E-03 1537 0.155E-02 0.512E-03
RMM: 21 -0.107605962566E+04 -0.12098E-03 -0.12804E-03 1483 0.150E-02 0.573E-03
RMM: 22 -0.107605974139E+04 -0.11572E-03 -0.12322E-03 1509 0.153E-02 0.630E-03
RMM: 23 -0.107605985461E+04 -0.11322E-03 -0.12133E-03 1531 0.156E-02 0.691E-03
RMM: 24 -0.107605996261E+04 -0.10800E-03 -0.11571E-03 1491 0.150E-02 0.748E-03
RMM: 25 -0.107606006782E+04 -0.10522E-03 -0.11293E-03 1478 0.151E-02 0.804E-03
RMM: 26 -0.107606016721E+04 -0.99389E-04 -0.10834E-03 1491 0.155E-02 0.859E-03
RMM: 27 -0.107606026391E+04 -0.96693E-04 -0.10426E-03 1495 0.157E-02 0.916E-03
RMM: 28 -0.107606035890E+04 -0.94996E-04 -0.10288E-03 1526 0.162E-02 0.973E-03
RMM: 29 -0.107606045002E+04 -0.91122E-04 -0.98054E-04 1458 0.150E-02
287 T= 713. E= -.10762270E+04 F= -.10760605E+04 E0= -.10760405E+04 EK= 0.14281E+02 SP= -.14E+02 SK= 0.10E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107623474540E+04 -0.17439E+00 -0.12838E+00 3478 0.121E+00 0.351E-01
RMM: 2 -0.107624062365E+04 -0.58783E-02 -0.88844E-02 4095 0.320E-01 0.275E-01
RMM: 3 -0.107624098718E+04 -0.36353E-03 -0.17921E-02 3974 0.116E-01 0.152E-01
RMM: 4 -0.107624135702E+04 -0.36984E-03 -0.58503E-03 3590 0.535E-02 0.729E-02
RMM: 5 -0.107624154750E+04 -0.19048E-03 -0.29918E-03 2981 0.258E-02 0.525E-02
RMM: 6 -0.107624171772E+04 -0.17022E-03 -0.21848E-03 2216 0.167E-02 0.186E-02
RMM: 7 -0.107624191465E+04 -0.19693E-03 -0.20552E-03 2058 0.138E-02 0.120E-02
RMM: 8 -0.107624209217E+04 -0.17752E-03 -0.18543E-03 1903 0.115E-02 0.893E-03
RMM: 9 -0.107624226997E+04 -0.17780E-03 -0.18369E-03 1988 0.138E-02 0.403E-03
RMM: 10 -0.107624244013E+04 -0.17016E-03 -0.17841E-03 2128 0.161E-02 0.216E-03
RMM: 11 -0.107624260306E+04 -0.16292E-03 -0.16736E-03 1858 0.121E-02 0.191E-03
RMM: 12 -0.107624275631E+04 -0.15325E-03 -0.16063E-03 2010 0.147E-02 0.235E-03
RMM: 13 -0.107624290412E+04 -0.14781E-03 -0.15424E-03 1713 0.141E-02 0.311E-03
RMM: 14 -0.107624304352E+04 -0.13940E-03 -0.14800E-03 1733 0.166E-02 0.305E-03
RMM: 15 -0.107624317872E+04 -0.13520E-03 -0.14435E-03 1649 0.166E-02 0.306E-03
RMM: 16 -0.107624330513E+04 -0.12641E-03 -0.13420E-03 1687 0.163E-02 0.293E-03
RMM: 17 -0.107624342818E+04 -0.12305E-03 -0.13159E-03 1671 0.170E-02 0.299E-03
RMM: 18 -0.107624354508E+04 -0.11690E-03 -0.12496E-03 1624 0.166E-02 0.312E-03
RMM: 19 -0.107624365768E+04 -0.11259E-03 -0.11977E-03 1533 0.154E-02 0.344E-03
RMM: 20 -0.107624376502E+04 -0.10734E-03 -0.11471E-03 1514 0.156E-02 0.386E-03
RMM: 21 -0.107624386934E+04 -0.10431E-03 -0.11208E-03 1561 0.150E-02 0.429E-03
RMM: 22 -0.107624396658E+04 -0.97244E-04 -0.10432E-03 1471 0.135E-02 0.470E-03
RMM: 23 -0.107624406003E+04 -0.93451E-04 -0.10112E-03 1485 0.144E-02 0.516E-03
RMM: 24 -0.107624414909E+04 -0.89063E-04 -0.97852E-04 1513 0.153E-02
288 T= 726. E= -.10762348E+04 F= -.10762441E+04 E0= -.10762230E+04 EK= 0.14541E+02 SP= -.15E+02 SK= 0.84E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107685420035E+04 -0.61014E+00 -0.86579E-01 3447 0.101E+00 0.263E-01
RMM: 2 -0.107685892041E+04 -0.47201E-02 -0.66700E-02 4110 0.269E-01 0.213E-01
RMM: 3 -0.107685977392E+04 -0.85350E-03 -0.14001E-02 3979 0.946E-02 0.164E-01
RMM: 4 -0.107686010178E+04 -0.32786E-03 -0.57477E-03 3281 0.462E-02 0.752E-02
RMM: 5 -0.107686033652E+04 -0.23474E-03 -0.40009E-03 3198 0.284E-02 0.403E-02
RMM: 6 -0.107686054958E+04 -0.21305E-03 -0.27037E-03 2171 0.151E-02 0.265E-02
RMM: 7 -0.107686080941E+04 -0.25984E-03 -0.27533E-03 2254 0.135E-02 0.145E-02
RMM: 8 -0.107686103690E+04 -0.22749E-03 -0.23644E-03 1890 0.104E-02 0.759E-03
RMM: 9 -0.107686126365E+04 -0.22675E-03 -0.23264E-03 1785 0.109E-02 0.464E-03
RMM: 10 -0.107686148131E+04 -0.21767E-03 -0.22565E-03 2146 0.163E-02 0.352E-03
RMM: 11 -0.107686169409E+04 -0.21277E-03 -0.21792E-03 1873 0.128E-02 0.304E-03
RMM: 12 -0.107686189446E+04 -0.20037E-03 -0.20738E-03 1942 0.136E-02 0.185E-03
RMM: 13 -0.107686208913E+04 -0.19468E-03 -0.19929E-03 1563 0.118E-02 0.234E-03
RMM: 14 -0.107686227193E+04 -0.18279E-03 -0.18879E-03 1550 0.141E-02 0.421E-03
RMM: 15 -0.107686245418E+04 -0.18225E-03 -0.19102E-03 1616 0.163E-02 0.409E-03
RMM: 16 -0.107686262504E+04 -0.17086E-03 -0.17912E-03 1532 0.148E-02 0.459E-03
RMM: 17 -0.107686278884E+04 -0.16380E-03 -0.17104E-03 1462 0.152E-02 0.516E-03
RMM: 18 -0.107686294752E+04 -0.15869E-03 -0.16752E-03 1643 0.178E-02 0.586E-03
RMM: 19 -0.107686310029E+04 -0.15277E-03 -0.15956E-03 1466 0.150E-02 0.646E-03
RMM: 20 -0.107686324495E+04 -0.14466E-03 -0.15220E-03 1521 0.151E-02 0.687E-03
RMM: 21 -0.107686338385E+04 -0.13890E-03 -0.14530E-03 1426 0.140E-02 0.747E-03
RMM: 22 -0.107686351599E+04 -0.13214E-03 -0.13910E-03 1480 0.149E-02 0.807E-03
RMM: 23 -0.107686364425E+04 -0.12827E-03 -0.13531E-03 1476 0.152E-02 0.874E-03
RMM: 24 -0.107686376536E+04 -0.12111E-03 -0.12817E-03 1445 0.142E-02 0.935E-03
RMM: 25 -0.107686388222E+04 -0.11686E-03 -0.12420E-03 1442 0.148E-02 0.984E-03
RMM: 26 -0.107686399467E+04 -0.11245E-03 -0.12030E-03 1502 0.154E-02 0.105E-02
RMM: 27 -0.107686410275E+04 -0.10808E-03 -0.11607E-03 1450 0.150E-02 0.109E-02
RMM: 28 -0.107686420603E+04 -0.10328E-03 -0.10987E-03 1420 0.146E-02 0.115E-02
RMM: 29 -0.107686430444E+04 -0.98412E-04 -0.10555E-03 1469 0.155E-02 0.120E-02
RMM: 30 -0.107686440017E+04 -0.95729E-04 -0.10292E-03 1414 0.152E-02 0.125E-02
RMM: 31 -0.107686449233E+04 -0.92160E-04 -0.10038E-03 1474 0.161E-02 0.130E-02
RMM: 32 -0.107686458081E+04 -0.88477E-04 -0.95569E-04 1435 0.153E-02
289 T= 757. E= -.10762938E+04 F= -.10768646E+04 E0= -.10768412E+04 EK= 0.15177E+02 SP= -.15E+02 SK= 0.47E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107715125427E+04 -0.28676E+00 -0.10635E+00 3417 0.108E+00 0.305E-01
RMM: 2 -0.107715717107E+04 -0.59168E-02 -0.78918E-02 4106 0.289E-01 0.246E-01
RMM: 3 -0.107715802417E+04 -0.85311E-03 -0.16254E-02 3909 0.993E-02 0.173E-01
RMM: 4 -0.107715840866E+04 -0.38449E-03 -0.71714E-03 3218 0.513E-02 0.642E-02
RMM: 5 -0.107715867994E+04 -0.27128E-03 -0.44778E-03 3282 0.292E-02 0.457E-02
RMM: 6 -0.107715892619E+04 -0.24626E-03 -0.31011E-03 2188 0.155E-02 0.287E-02
RMM: 7 -0.107715922905E+04 -0.30286E-03 -0.31674E-03 2439 0.150E-02 0.145E-02
RMM: 8 -0.107715948072E+04 -0.25167E-03 -0.26443E-03 1868 0.983E-03 0.876E-03
RMM: 9 -0.107715973472E+04 -0.25400E-03 -0.26082E-03 1792 0.106E-02 0.532E-03
RMM: 10 -0.107715997485E+04 -0.24013E-03 -0.24725E-03 2161 0.160E-02 0.475E-03
RMM: 11 -0.107716020912E+04 -0.23427E-03 -0.23892E-03 1841 0.118E-02 0.290E-03
RMM: 12 -0.107716042724E+04 -0.21813E-03 -0.22526E-03 1989 0.137E-02 0.197E-03
RMM: 13 -0.107716064095E+04 -0.21371E-03 -0.21852E-03 1634 0.120E-02 0.246E-03
RMM: 14 -0.107716083705E+04 -0.19610E-03 -0.20219E-03 1534 0.139E-02 0.422E-03
RMM: 15 -0.107716103458E+04 -0.19753E-03 -0.20711E-03 1651 0.171E-02 0.355E-03
RMM: 16 -0.107716121820E+04 -0.18362E-03 -0.19150E-03 1604 0.153E-02 0.329E-03
RMM: 17 -0.107716139588E+04 -0.17768E-03 -0.18451E-03 1589 0.150E-02 0.274E-03
RMM: 18 -0.107716156766E+04 -0.17178E-03 -0.18031E-03 1699 0.176E-02 0.276E-03
RMM: 19 -0.107716173608E+04 -0.16842E-03 -0.17496E-03 1529 0.151E-02 0.309E-03
RMM: 20 -0.107716189433E+04 -0.15825E-03 -0.16503E-03 1513 0.146E-02 0.378E-03
RMM: 21 -0.107716204926E+04 -0.15493E-03 -0.16103E-03 1447 0.139E-02 0.444E-03
RMM: 22 -0.107716219500E+04 -0.14574E-03 -0.15208E-03 1453 0.146E-02 0.513E-03
RMM: 23 -0.107716234120E+04 -0.14619E-03 -0.15496E-03 1587 0.167E-02 0.577E-03
RMM: 24 -0.107716247937E+04 -0.13817E-03 -0.14560E-03 1499 0.148E-02 0.639E-03
RMM: 25 -0.107716261413E+04 -0.13476E-03 -0.14188E-03 1473 0.148E-02 0.708E-03
RMM: 26 -0.107716274461E+04 -0.13049E-03 -0.13774E-03 1513 0.157E-02 0.772E-03
RMM: 27 -0.107716287204E+04 -0.12743E-03 -0.13462E-03 1464 0.150E-02 0.835E-03
RMM: 28 -0.107716299326E+04 -0.12122E-03 -0.12832E-03 1444 0.152E-02 0.904E-03
RMM: 29 -0.107716311365E+04 -0.12039E-03 -0.12845E-03 1513 0.165E-02 0.963E-03
RMM: 30 -0.107716323033E+04 -0.11668E-03 -0.12416E-03 1503 0.159E-02 0.103E-02
RMM: 31 -0.107716334360E+04 -0.11327E-03 -0.11999E-03 1444 0.150E-02 0.109E-02
RMM: 32 -0.107716345364E+04 -0.11004E-03 -0.11689E-03 1441 0.155E-02 0.115E-02
RMM: 33 -0.107716356222E+04 -0.10858E-03 -0.11564E-03 1462 0.156E-02 0.121E-02
RMM: 34 -0.107716366675E+04 -0.10453E-03 -0.11137E-03 1409 0.153E-02 0.127E-02
RMM: 35 -0.107716377060E+04 -0.10385E-03 -0.11141E-03 1478 0.159E-02 0.132E-02
RMM: 36 -0.107716387125E+04 -0.10065E-03 -0.10843E-03 1451 0.156E-02 0.138E-02
RMM: 37 -0.107716397018E+04 -0.98938E-04 -0.10577E-03 1428 0.152E-02 0.143E-02
RMM: 38 -0.107716406628E+04 -0.96092E-04 -0.10298E-03 1414 0.152E-02 0.149E-02
RMM: 39 -0.107716416092E+04 -0.94641E-04 -0.10131E-03 1411 0.152E-02 0.154E-02
RMM: 40 -0.107716425342E+04 -0.92501E-04 -0.99251E-04 1423 0.152E-02
290 T= 773. E= -.10763206E+04 F= -.10771643E+04 E0= -.10771375E+04 EK= 0.15497E+02 SP= -.15E+02 SK= 0.10E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107679450547E+04 0.36966E+00 -0.14479E+00 3373 0.125E+00 0.362E-01
RMM: 2 -0.107680143972E+04 -0.69342E-02 -0.10520E-01 4220 0.350E-01 0.288E-01
RMM: 3 -0.107680258797E+04 -0.11483E-02 -0.21856E-02 4193 0.120E-01 0.226E-01
RMM: 4 -0.107680275245E+04 -0.16448E-03 -0.84205E-03 3642 0.581E-02 0.135E-01
RMM: 5 -0.107680281572E+04 -0.63274E-04 -0.51605E-03 3134 0.355E-02 0.496E-02
RMM: 6 -0.107680308151E+04 -0.26579E-03 -0.32421E-03 2702 0.189E-02 0.338E-02
RMM: 7 -0.107680335577E+04 -0.27426E-03 -0.30433E-03 2112 0.129E-02 0.180E-02
RMM: 8 -0.107680362691E+04 -0.27113E-03 -0.27697E-03 2021 0.108E-02 0.830E-03
RMM: 9 -0.107680389376E+04 -0.26686E-03 -0.27047E-03 1806 0.902E-03 0.510E-03
RMM: 10 -0.107680414695E+04 -0.25319E-03 -0.25572E-03 1890 0.114E-02 0.343E-03
RMM: 11 -0.107680439862E+04 -0.25167E-03 -0.25603E-03 1933 0.123E-02 0.225E-03
RMM: 12 -0.107680463606E+04 -0.23744E-03 -0.24286E-03 1819 0.122E-02 0.215E-03
RMM: 13 -0.107680487012E+04 -0.23406E-03 -0.23934E-03 1595 0.121E-02 0.323E-03
RMM: 14 -0.107680509314E+04 -0.22302E-03 -0.22811E-03 1492 0.130E-02 0.461E-03
RMM: 15 -0.107680531268E+04 -0.21954E-03 -0.22579E-03 1468 0.141E-02 0.581E-03
RMM: 16 -0.107680552375E+04 -0.21107E-03 -0.21809E-03 1495 0.155E-02 0.687E-03
RMM: 17 -0.107680573151E+04 -0.20777E-03 -0.21444E-03 1479 0.153E-02 0.803E-03
RMM: 18 -0.107680593016E+04 -0.19865E-03 -0.20550E-03 1478 0.156E-02 0.905E-03
RMM: 19 -0.107680612608E+04 -0.19592E-03 -0.20264E-03 1478 0.159E-02 0.102E-02
RMM: 20 -0.107680631539E+04 -0.18931E-03 -0.19686E-03 1484 0.161E-02 0.112E-02
RMM: 21 -0.107680650279E+04 -0.18740E-03 -0.19636E-03 1491 0.159E-02 0.123E-02
RMM: 22 -0.107680667648E+04 -0.17369E-03 -0.18760E-03 1489 0.160E-02 0.132E-02
RMM: 23 -0.107680685062E+04 -0.17414E-03 -0.18154E-03 1485 0.156E-02 0.142E-02
RMM: 24 -0.107680701760E+04 -0.16699E-03 -0.17486E-03 1481 0.157E-02 0.151E-02
RMM: 25 -0.107680718152E+04 -0.16392E-03 -0.17105E-03 1440 0.156E-02 0.160E-02
RMM: 26 -0.107680733991E+04 -0.15839E-03 -0.16555E-03 1466 0.156E-02 0.169E-02
RMM: 27 -0.107680749395E+04 -0.15404E-03 -0.16123E-03 1459 0.157E-02 0.177E-02
RMM: 28 -0.107680764369E+04 -0.14974E-03 -0.15758E-03 1490 0.164E-02 0.186E-02
RMM: 29 -0.107680779002E+04 -0.14633E-03 -0.15381E-03 1467 0.160E-02 0.194E-02
RMM: 30 -0.107680793163E+04 -0.14161E-03 -0.14900E-03 1440 0.159E-02 0.201E-02
RMM: 31 -0.107680806957E+04 -0.13794E-03 -0.14527E-03 1434 0.159E-02 0.209E-02
RMM: 32 -0.107680820498E+04 -0.13541E-03 -0.14351E-03 1501 0.163E-02 0.216E-02
RMM: 33 -0.107680833472E+04 -0.12975E-03 -0.13722E-03 1418 0.151E-02 0.224E-02
RMM: 34 -0.107680846145E+04 -0.12672E-03 -0.13389E-03 1449 0.157E-02 0.231E-02
RMM: 35 -0.107680858445E+04 -0.12301E-03 -0.13033E-03 1417 0.160E-02 0.238E-02
RMM: 36 -0.107680870497E+04 -0.12052E-03 -0.12864E-03 1451 0.166E-02 0.245E-02
RMM: 37 -0.107680882283E+04 -0.11786E-03 -0.12550E-03 1444 0.159E-02 0.251E-02
RMM: 38 -0.107680893745E+04 -0.11461E-03 -0.12200E-03 1443 0.154E-02 0.258E-02
RMM: 39 -0.107680904797E+04 -0.11053E-03 -0.11714E-03 1358 0.146E-02 0.264E-02
RMM: 40 -0.107680915671E+04 -0.10873E-03 -0.11579E-03 1396 0.151E-02 0.270E-02
RMM: 41 -0.107680926256E+04 -0.10585E-03 -0.11270E-03 1383 0.149E-02 0.276E-02
RMM: 42 -0.107680936469E+04 -0.10212E-03 -0.10887E-03 1359 0.146E-02 0.282E-02
RMM: 43 -0.107680946554E+04 -0.10085E-03 -0.10803E-03 1414 0.150E-02 0.288E-02
RMM: 44 -0.107680956227E+04 -0.96729E-04 -0.10322E-03 1359 0.143E-02 0.293E-02
RMM: 45 -0.107680965837E+04 -0.96100E-04 -0.10335E-03 1408 0.153E-02 0.299E-02
RMM: 46 -0.107680975079E+04 -0.92423E-04 -0.98721E-04 1312 0.140E-02
291 T= 758. E= -.10762911E+04 F= -.10768098E+04 E0= -.10767805E+04 EK= 0.15182E+02 SP= -.15E+02 SK= 0.30E-04
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107622131102E+04 0.58835E+00 -0.15005E+00 3364 0.129E+00 0.374E-01
RMM: 2 -0.107622841897E+04 -0.71079E-02 -0.10766E-01 4217 0.369E-01 0.283E-01
RMM: 3 -0.107622965521E+04 -0.12362E-02 -0.21977E-02 4235 0.129E-01 0.195E-01
RMM: 4 -0.107623031819E+04 -0.66298E-03 -0.84951E-03 3791 0.622E-02 0.118E-01
RMM: 5 -0.107623008652E+04 0.23167E-03 -0.39544E-03 3199 0.320E-02 0.468E-02
RMM: 6 -0.107623029036E+04 -0.20384E-03 -0.25943E-03 2600 0.178E-02 0.256E-02
RMM: 7 -0.107623053735E+04 -0.24699E-03 -0.25169E-03 2079 0.125E-02 0.910E-03
RMM: 8 -0.107623075071E+04 -0.21336E-03 -0.21468E-03 1937 0.917E-03 0.679E-03
RMM: 9 -0.107623097059E+04 -0.21988E-03 -0.22049E-03 1853 0.938E-03 0.450E-03
RMM: 10 -0.107623117410E+04 -0.20351E-03 -0.20576E-03 1982 0.128E-02 0.227E-03
RMM: 11 -0.107623138050E+04 -0.20640E-03 -0.21074E-03 1964 0.130E-02 0.177E-03
RMM: 12 -0.107623157137E+04 -0.19087E-03 -0.19614E-03 1855 0.130E-02 0.183E-03
RMM: 13 -0.107623176331E+04 -0.19195E-03 -0.19759E-03 1620 0.125E-02 0.258E-03
RMM: 14 -0.107623194225E+04 -0.17893E-03 -0.18489E-03 1469 0.133E-02 0.376E-03
RMM: 15 -0.107623212343E+04 -0.18119E-03 -0.18948E-03 1496 0.150E-02 0.452E-03
RMM: 16 -0.107623229313E+04 -0.16969E-03 -0.17775E-03 1487 0.151E-02 0.547E-03
RMM: 17 -0.107623246409E+04 -0.17097E-03 -0.17826E-03 1529 0.157E-02 0.636E-03
RMM: 18 -0.107623262771E+04 -0.16362E-03 -0.17035E-03 1500 0.155E-02 0.721E-03
RMM: 19 -0.107623278982E+04 -0.16211E-03 -0.16870E-03 1480 0.155E-02 0.790E-03
RMM: 20 -0.107623294683E+04 -0.15700E-03 -0.16413E-03 1513 0.157E-02 0.872E-03
RMM: 21 -0.107623310067E+04 -0.15385E-03 -0.15962E-03 1415 0.142E-02 0.962E-03
RMM: 22 -0.107623324849E+04 -0.14782E-03 -0.15451E-03 1531 0.151E-02 0.106E-02
RMM: 23 -0.107623339497E+04 -0.14648E-03 -0.15228E-03 1553 0.148E-02 0.115E-02
RMM: 24 -0.107623353611E+04 -0.14114E-03 -0.14840E-03 1577 0.155E-02 0.122E-02
RMM: 25 -0.107623367379E+04 -0.13768E-03 -0.14481E-03 1479 0.146E-02 0.129E-02
RMM: 26 -0.107623380650E+04 -0.13271E-03 -0.13937E-03 1465 0.148E-02 0.136E-02
RMM: 27 -0.107623393735E+04 -0.13086E-03 -0.13814E-03 1470 0.154E-02 0.143E-02
RMM: 28 -0.107623406496E+04 -0.12761E-03 -0.13490E-03 1462 0.156E-02 0.151E-02
RMM: 29 -0.107623418942E+04 -0.12446E-03 -0.13189E-03 1452 0.155E-02 0.157E-02
RMM: 30 -0.107623431087E+04 -0.12145E-03 -0.12914E-03 1491 0.158E-02 0.164E-02
RMM: 31 -0.107623442918E+04 -0.11831E-03 -0.12554E-03 1440 0.151E-02 0.171E-02
RMM: 32 -0.107623454452E+04 -0.11534E-03 -0.12259E-03 1453 0.153E-02 0.177E-02
RMM: 33 -0.107623465697E+04 -0.11245E-03 -0.11952E-03 1447 0.155E-02 0.183E-02
RMM: 34 -0.107623476712E+04 -0.11015E-03 -0.11776E-03 1491 0.157E-02 0.189E-02
RMM: 35 -0.107623487401E+04 -0.10689E-03 -0.11365E-03 1430 0.148E-02 0.195E-02
RMM: 36 -0.107623497823E+04 -0.10422E-03 -0.11135E-03 1430 0.154E-02 0.202E-02
RMM: 37 -0.107623508034E+04 -0.10211E-03 -0.10941E-03 1423 0.157E-02 0.207E-02
RMM: 38 -0.107623518090E+04 -0.10056E-03 -0.10842E-03 1468 0.160E-02 0.213E-02
RMM: 39 -0.107623527779E+04 -0.96889E-04 -0.10367E-03 1397 0.148E-02 0.219E-02
RMM: 40 -0.107623537319E+04 -0.95398E-04 -0.10297E-03 1454 0.157E-02 0.224E-02
RMM: 41 -0.107623546544E+04 -0.92254E-04 -0.99566E-04 1396 0.153E-02
292 T= 730. E= -.10762560E+04 F= -.10762355E+04 E0= -.10762039E+04 EK= 0.14624E+02 SP= -.15E+02 SK= 0.88E-03
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107596733242E+04 0.26804E+00 -0.13463E+00 3407 0.118E+00 0.400E-01
RMM: 2 -0.107597244151E+04 -0.51091E-02 -0.87582E-02 4167 0.322E-01 0.293E-01
RMM: 3 -0.107597317829E+04 -0.73678E-03 -0.20385E-02 4142 0.118E-01 0.158E-01
RMM: 4 -0.107597399892E+04 -0.82063E-03 -0.87570E-03 3713 0.572E-02 0.109E-01
RMM: 5 -0.107597384678E+04 0.15214E-03 -0.42009E-03 3035 0.278E-02 0.588E-02
RMM: 6 -0.107597413638E+04 -0.28960E-03 -0.35327E-03 2801 0.201E-02 0.234E-02
RMM: 7 -0.107597443266E+04 -0.29628E-03 -0.30957E-03 2052 0.130E-02 0.113E-02
RMM: 8 -0.107597470860E+04 -0.27594E-03 -0.28277E-03 2069 0.116E-02 0.855E-03
RMM: 9 -0.107597498620E+04 -0.27760E-03 -0.27973E-03 1861 0.934E-03 0.631E-03
RMM: 10 -0.107597524431E+04 -0.25811E-03 -0.26206E-03 1932 0.113E-02 0.261E-03
RMM: 11 -0.107597550122E+04 -0.25691E-03 -0.26132E-03 1918 0.118E-02 0.190E-03
RMM: 12 -0.107597574269E+04 -0.24147E-03 -0.24704E-03 1864 0.123E-02 0.197E-03
RMM: 13 -0.107597597900E+04 -0.23631E-03 -0.24226E-03 1580 0.123E-02 0.286E-03
RMM: 14 -0.107597620385E+04 -0.22485E-03 -0.23227E-03 1585 0.150E-02 0.364E-03
RMM: 15 -0.107597642672E+04 -0.22287E-03 -0.23031E-03 1588 0.159E-02 0.456E-03
RMM: 16 -0.107597663962E+04 -0.21290E-03 -0.22031E-03 1591 0.161E-02 0.538E-03
RMM: 17 -0.107597684695E+04 -0.20734E-03 -0.21438E-03 1479 0.155E-02 0.627E-03
RMM: 18 -0.107597704701E+04 -0.20006E-03 -0.20822E-03 1547 0.168E-02 0.698E-03
RMM: 19 -0.107597724250E+04 -0.19549E-03 -0.20373E-03 1467 0.160E-02 0.784E-03
RMM: 20 -0.107597742852E+04 -0.18602E-03 -0.19554E-03 1525 0.163E-02 0.843E-03
RMM: 21 -0.107597761050E+04 -0.18198E-03 -0.18941E-03 1514 0.154E-02 0.884E-03
RMM: 22 -0.107597778552E+04 -0.17501E-03 -0.18291E-03 1542 0.158E-02 0.920E-03
RMM: 23 -0.107597795603E+04 -0.17051E-03 -0.17799E-03 1518 0.150E-02 0.934E-03
RMM: 24 -0.107597811903E+04 -0.16300E-03 -0.17046E-03 1492 0.151E-02 0.954E-03
RMM: 25 -0.107597827958E+04 -0.16055E-03 -0.16826E-03 1523 0.157E-02 0.999E-03
RMM: 26 -0.107597843400E+04 -0.15442E-03 -0.16175E-03 1462 0.152E-02 0.106E-02
RMM: 27 -0.107597858350E+04 -0.14950E-03 -0.15675E-03 1464 0.151E-02 0.113E-02
RMM: 28 -0.107597872776E+04 -0.14427E-03 -0.15152E-03 1457 0.158E-02 0.118E-02
RMM: 29 -0.107597886814E+04 -0.14038E-03 -0.14854E-03 1490 0.164E-02 0.124E-02
RMM: 30 -0.107597900356E+04 -0.13542E-03 -0.14279E-03 1458 0.158E-02 0.130E-02
RMM: 31 -0.107597913417E+04 -0.13061E-03 -0.13794E-03 1454 0.157E-02 0.136E-02
RMM: 32 -0.107597926162E+04 -0.12744E-03 -0.13510E-03 1464 0.163E-02 0.142E-02
RMM: 33 -0.107597938540E+04 -0.12378E-03 -0.13147E-03 1486 0.158E-02 0.148E-02
RMM: 34 -0.107597950452E+04 -0.11912E-03 -0.12606E-03 1431 0.151E-02 0.153E-02
RMM: 35 -0.107597961965E+04 -0.11513E-03 -0.12215E-03 1428 0.155E-02 0.159E-02
RMM: 36 -0.107597973220E+04 -0.11255E-03 -0.12029E-03 1447 0.157E-02 0.164E-02
RMM: 37 -0.107597983930E+04 -0.10710E-03 -0.11397E-03 1399 0.150E-02 0.169E-02
RMM: 38 -0.107597994536E+04 -0.10606E-03 -0.11374E-03 1445 0.163E-02 0.174E-02
RMM: 39 -0.107598004651E+04 -0.10115E-03 -0.10861E-03 1407 0.153E-02 0.179E-02
RMM: 40 -0.107598014616E+04 -0.99649E-04 -0.10688E-03 1458 0.155E-02 0.184E-02
RMM: 41 -0.107598024125E+04 -0.95090E-04 -0.10198E-03 1395 0.148E-02 0.189E-02
RMM: 42 -0.107598033467E+04 -0.93415E-04 -0.10110E-03 1419 0.155E-02 0.193E-02
RMM: 43 -0.107598042546E+04 -0.90797E-04 -0.97576E-04 1411 0.148E-02
293 T= 716. E= -.10762479E+04 F= -.10759804E+04 E0= -.10759473E+04 EK= 0.14344E+02 SP= -.15E+02 SK= 0.17E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107614769642E+04 -0.16736E+00 -0.12141E+00 3382 0.114E+00 0.379E-01
RMM: 2 -0.107615291839E+04 -0.52220E-02 -0.83146E-02 4155 0.306E-01 0.289E-01
RMM: 3 -0.107615397707E+04 -0.10587E-02 -0.19429E-02 4143 0.112E-01 0.207E-01
RMM: 4 -0.107615409175E+04 -0.11468E-03 -0.81264E-03 3585 0.554E-02 0.110E-01
RMM: 5 -0.107615415221E+04 -0.60462E-04 -0.38310E-03 3182 0.291E-02 0.520E-02
RMM: 6 -0.107615438398E+04 -0.23177E-03 -0.27671E-03 2523 0.166E-02 0.290E-02
RMM: 7 -0.107615462397E+04 -0.23999E-03 -0.26007E-03 2090 0.124E-02 0.120E-02
RMM: 8 -0.107615484598E+04 -0.22201E-03 -0.23013E-03 2012 0.108E-02 0.666E-03
RMM: 9 -0.107615507308E+04 -0.22710E-03 -0.23066E-03 1865 0.114E-02 0.415E-03
RMM: 10 -0.107615528948E+04 -0.21640E-03 -0.22465E-03 2185 0.161E-02 0.201E-03
RMM: 11 -0.107615550354E+04 -0.21406E-03 -0.21749E-03 1828 0.108E-02 0.199E-03
RMM: 12 -0.107615570351E+04 -0.19997E-03 -0.20615E-03 1847 0.124E-02 0.275E-03
RMM: 13 -0.107615590234E+04 -0.19883E-03 -0.20389E-03 1556 0.120E-02 0.401E-03
RMM: 14 -0.107615608913E+04 -0.18679E-03 -0.19324E-03 1523 0.139E-02 0.485E-03
RMM: 15 -0.107615627709E+04 -0.18796E-03 -0.19529E-03 1555 0.153E-02 0.614E-03
RMM: 16 -0.107615645471E+04 -0.17762E-03 -0.18501E-03 1546 0.156E-02 0.692E-03
RMM: 17 -0.107615663030E+04 -0.17559E-03 -0.18237E-03 1500 0.156E-02 0.785E-03
RMM: 18 -0.107615679822E+04 -0.16792E-03 -0.17540E-03 1514 0.168E-02 0.880E-03
RMM: 19 -0.107615696540E+04 -0.16718E-03 -0.17461E-03 1495 0.164E-02 0.961E-03
RMM: 20 -0.107615712411E+04 -0.15871E-03 -0.16571E-03 1468 0.156E-02 0.105E-02
RMM: 21 -0.107615728155E+04 -0.15743E-03 -0.16476E-03 1514 0.158E-02 0.114E-02
RMM: 22 -0.107615743060E+04 -0.14905E-03 -0.15574E-03 1432 0.152E-02 0.122E-02
RMM: 23 -0.107615757949E+04 -0.14889E-03 -0.15682E-03 1532 0.167E-02 0.131E-02
RMM: 24 -0.107615772166E+04 -0.14217E-03 -0.14911E-03 1473 0.153E-02 0.139E-02
RMM: 25 -0.107615786133E+04 -0.13967E-03 -0.14677E-03 1457 0.156E-02 0.147E-02
RMM: 26 -0.107615799593E+04 -0.13460E-03 -0.14192E-03 1453 0.160E-02 0.154E-02
RMM: 27 -0.107615813007E+04 -0.13414E-03 -0.14197E-03 1518 0.163E-02 0.162E-02
RMM: 28 -0.107615825713E+04 -0.12706E-03 -0.13391E-03 1427 0.151E-02 0.169E-02
RMM: 29 -0.107615838284E+04 -0.12572E-03 -0.13302E-03 1435 0.154E-02 0.176E-02
RMM: 30 -0.107615850336E+04 -0.12052E-03 -0.12764E-03 1429 0.158E-02 0.183E-02
RMM: 31 -0.107615862298E+04 -0.11962E-03 -0.12769E-03 1484 0.164E-02 0.190E-02
RMM: 32 -0.107615873769E+04 -0.11471E-03 -0.12155E-03 1411 0.151E-02 0.196E-02
RMM: 33 -0.107615885041E+04 -0.11272E-03 -0.12020E-03 1442 0.161E-02 0.202E-02
RMM: 34 -0.107615896082E+04 -0.11041E-03 -0.11789E-03 1424 0.159E-02 0.209E-02
RMM: 35 -0.107615906894E+04 -0.10812E-03 -0.11551E-03 1446 0.156E-02 0.215E-02
RMM: 36 -0.107615917223E+04 -0.10329E-03 -0.11003E-03 1404 0.147E-02 0.221E-02
RMM: 37 -0.107615927526E+04 -0.10304E-03 -0.10984E-03 1413 0.152E-02 0.227E-02
RMM: 38 -0.107615937372E+04 -0.98461E-04 -0.10551E-03 1386 0.147E-02 0.233E-02
RMM: 39 -0.107615947088E+04 -0.97155E-04 -0.10425E-03 1376 0.150E-02 0.238E-02
RMM: 40 -0.107615956427E+04 -0.93394E-04 -0.10015E-03 1369 0.147E-02 0.244E-02
RMM: 41 -0.107615965616E+04 -0.91890E-04 -0.98832E-04 1383 0.150E-02
294 T= 722. E= -.10762702E+04 F= -.10761597E+04 E0= -.10761272E+04 EK= 0.14463E+02 SP= -.15E+02 SK= 0.26E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107642055351E+04 -0.26099E+00 -0.10585E+00 3378 0.107E+00 0.314E-01
RMM: 2 -0.107642559010E+04 -0.50366E-02 -0.71919E-02 4159 0.288E-01 0.242E-01
RMM: 3 -0.107642649122E+04 -0.90112E-03 -0.15551E-02 4168 0.103E-01 0.179E-01
RMM: 4 -0.107642668781E+04 -0.19659E-03 -0.50138E-03 3554 0.477E-02 0.102E-01
RMM: 5 -0.107642660265E+04 0.85159E-04 -0.25296E-03 3095 0.295E-02 0.429E-02
RMM: 6 -0.107642667163E+04 -0.68977E-04 -0.13306E-03 2311 0.160E-02 0.269E-02
RMM: 7 -0.107642678157E+04 -0.10994E-03 -0.12359E-03 2202 0.128E-02 0.118E-02
RMM: 8 -0.107642687889E+04 -0.97315E-04 -0.10563E-03 1927 0.953E-03 0.601E-03
RMM: 9 -0.107642697314E+04 -0.94258E-04 -0.98417E-04 1776 0.981E-03
295 T= 732. E= -.10762861E+04 F= -.10764270E+04 E0= -.10763981E+04 EK= 0.14665E+02 SP= -.15E+02 SK= 0.42E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107646707752E+04 -0.40199E-01 -0.10814E+00 3344 0.106E+00 0.320E-01
RMM: 2 -0.107647200701E+04 -0.49295E-02 -0.67172E-02 4137 0.285E-01 0.234E-01
RMM: 3 -0.107647268713E+04 -0.68012E-03 -0.14443E-02 4176 0.102E-01 0.132E-01
RMM: 4 -0.107647300650E+04 -0.31937E-03 -0.49829E-03 3518 0.469E-02 0.615E-02
RMM: 5 -0.107647307804E+04 -0.71546E-04 -0.22880E-03 2939 0.239E-02 0.435E-02
RMM: 6 -0.107647318584E+04 -0.10780E-03 -0.16992E-03 2170 0.154E-02 0.240E-02
RMM: 7 -0.107647332959E+04 -0.14375E-03 -0.15633E-03 2266 0.157E-02 0.857E-03
RMM: 8 -0.107647346532E+04 -0.13573E-03 -0.14152E-03 1875 0.102E-02 0.578E-03
RMM: 9 -0.107647358898E+04 -0.12365E-03 -0.12827E-03 1832 0.117E-02 0.424E-03
RMM: 10 -0.107647372003E+04 -0.13105E-03 -0.13943E-03 2214 0.170E-02 0.261E-03
RMM: 11 -0.107647383668E+04 -0.11666E-03 -0.12178E-03 1847 0.124E-02 0.188E-03
RMM: 12 -0.107647395645E+04 -0.11977E-03 -0.12708E-03 2065 0.148E-02 0.197E-03
RMM: 13 -0.107647406516E+04 -0.10871E-03 -0.11386E-03 1586 0.123E-02 0.255E-03
RMM: 14 -0.107647417528E+04 -0.11012E-03 -0.11735E-03 1637 0.153E-02 0.266E-03
RMM: 15 -0.107647428000E+04 -0.10471E-03 -0.11296E-03 1614 0.155E-02 0.286E-03
RMM: 16 -0.107647438295E+04 -0.10295E-03 -0.10943E-03 1599 0.147E-02 0.299E-03
RMM: 17 -0.107647448002E+04 -0.97073E-04 -0.10508E-03 1626 0.161E-02 0.318E-03
RMM: 18 -0.107647457744E+04 -0.97421E-04 -0.10530E-03 1574 0.161E-02 0.337E-03
RMM: 19 -0.107647467012E+04 -0.92686E-04 -0.10048E-03 1542 0.158E-02 0.369E-03
RMM: 20 -0.107647476149E+04 -0.91363E-04 -0.98822E-04 1511 0.154E-02
296 T= 731. E= -.10762831E+04 F= -.10764748E+04 E0= -.10764498E+04 EK= 0.14652E+02 SP= -.14E+02 SK= 0.67E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107629959562E+04 0.17507E+00 -0.10117E+00 3340 0.104E+00 0.276E-01
RMM: 2 -0.107630443362E+04 -0.48380E-02 -0.63381E-02 4124 0.286E-01 0.204E-01
RMM: 3 -0.107630515530E+04 -0.72168E-03 -0.12569E-02 4040 0.101E-01 0.121E-01
RMM: 4 -0.107630542504E+04 -0.26975E-03 -0.38507E-03 3527 0.459E-02 0.621E-02
RMM: 5 -0.107630539850E+04 0.26548E-04 -0.16829E-03 2865 0.237E-02 0.355E-02
RMM: 6 -0.107630546750E+04 -0.69003E-04 -0.10731E-03 2104 0.149E-02 0.183E-02
RMM: 7 -0.107630556144E+04 -0.93937E-04 -0.10238E-03 2156 0.144E-02 0.800E-03
RMM: 8 -0.107630564756E+04 -0.86126E-04 -0.91254E-04 1854 0.965E-03
297 T= 720. E= -.10762697E+04 F= -.10763056E+04 E0= -.10762817E+04 EK= 0.14419E+02 SP= -.14E+02 SK= 0.91E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107613773916E+04 0.16782E+00 -0.10004E+00 3332 0.106E+00 0.265E-01
RMM: 2 -0.107614330737E+04 -0.55682E-02 -0.68327E-02 4083 0.298E-01 0.203E-01
RMM: 3 -0.107614417636E+04 -0.86899E-03 -0.13321E-02 4010 0.108E-01 0.129E-01
RMM: 4 -0.107614450321E+04 -0.32685E-03 -0.44347E-03 3565 0.497E-02 0.636E-02
RMM: 5 -0.107614446645E+04 0.36755E-04 -0.17899E-03 2956 0.253E-02 0.350E-02
RMM: 6 -0.107614455685E+04 -0.90396E-04 -0.12419E-03 2134 0.156E-02 0.199E-02
RMM: 7 -0.107614465189E+04 -0.95046E-04 -0.10598E-03 2134 0.146E-02 0.913E-03
RMM: 8 -0.107614474928E+04 -0.97390E-04 -0.10187E-03 1850 0.940E-03 0.448E-03
RMM: 9 -0.107614483411E+04 -0.84826E-04 -0.86355E-04 1769 0.104E-02
298 T= 708. E= -.10762497E+04 F= -.10761448E+04 E0= -.10761205E+04 EK= 0.14193E+02 SP= -.14E+02 SK= 0.10E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107631811595E+04 -0.17337E+00 -0.11206E+00 3411 0.110E+00 0.326E-01
RMM: 2 -0.107632372910E+04 -0.56132E-02 -0.78581E-02 4094 0.312E-01 0.251E-01
RMM: 3 -0.107632403212E+04 -0.30302E-03 -0.14392E-02 3858 0.113E-01 0.137E-01
RMM: 4 -0.107632439210E+04 -0.35998E-03 -0.53149E-03 3587 0.540E-02 0.644E-02
RMM: 5 -0.107632444855E+04 -0.56452E-04 -0.19000E-03 2942 0.251E-02 0.508E-02
RMM: 6 -0.107632454820E+04 -0.99647E-04 -0.15898E-03 2445 0.176E-02 0.198E-02
RMM: 7 -0.107632465160E+04 -0.10340E-03 -0.11345E-03 2009 0.128E-02 0.894E-03
RMM: 8 -0.107632476930E+04 -0.11771E-03 -0.12086E-03 1909 0.100E-02 0.749E-03
RMM: 9 -0.107632486799E+04 -0.98691E-04 -0.10004E-03 1825 0.989E-03 0.545E-03
RMM: 10 -0.107632497610E+04 -0.10811E-03 -0.11262E-03 1944 0.122E-02 0.194E-03
RMM: 11 -0.107632506659E+04 -0.90490E-04 -0.94885E-04 1784 0.107E-02
299 T= 713. E= -.10762439E+04 F= -.10763251E+04 E0= -.10763004E+04 EK= 0.14291E+02 SP= -.14E+02 SK= 0.11E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107694191639E+04 -0.61694E+00 -0.10208E+00 3405 0.107E+00 0.317E-01
RMM: 2 -0.107694687352E+04 -0.49571E-02 -0.71059E-02 4100 0.297E-01 0.236E-01
RMM: 3 -0.107694736726E+04 -0.49374E-03 -0.14678E-02 3926 0.111E-01 0.128E-01
RMM: 4 -0.107694775607E+04 -0.38881E-03 -0.55118E-03 3609 0.508E-02 0.551E-02
RMM: 5 -0.107694795135E+04 -0.19528E-03 -0.24153E-03 2874 0.236E-02 0.436E-02
RMM: 6 -0.107694810035E+04 -0.14899E-03 -0.20361E-03 2301 0.162E-02 0.168E-02
RMM: 7 -0.107694825764E+04 -0.15730E-03 -0.16127E-03 2066 0.131E-02 0.834E-03
RMM: 8 -0.107694841918E+04 -0.16154E-03 -0.16234E-03 1871 0.975E-03 0.676E-03
RMM: 9 -0.107694855178E+04 -0.13260E-03 -0.13315E-03 1851 0.109E-02 0.401E-03
RMM: 10 -0.107694869264E+04 -0.14086E-03 -0.14335E-03 2029 0.136E-02 0.175E-03
RMM: 11 -0.107694880883E+04 -0.11619E-03 -0.12163E-03 1866 0.129E-02 0.172E-03
RMM: 12 -0.107694892927E+04 -0.12044E-03 -0.12694E-03 1876 0.131E-02 0.212E-03
RMM: 13 -0.107694902971E+04 -0.10044E-03 -0.10622E-03 1599 0.124E-02 0.284E-03
RMM: 14 -0.107694913536E+04 -0.10565E-03 -0.11257E-03 1514 0.146E-02 0.331E-03
RMM: 15 -0.107694922838E+04 -0.93021E-04 -0.10080E-03 1548 0.158E-02 0.388E-03
RMM: 16 -0.107694932517E+04 -0.96789E-04 -0.10388E-03 1544 0.153E-02 0.434E-03
RMM: 17 -0.107694940890E+04 -0.83734E-04 -0.90270E-04 1472 0.142E-02
300 T= 738. E= -.10762799E+04 F= -.10769494E+04 E0= -.10769231E+04 EK= 0.14785E+02 SP= -.14E+02 SK= 0.14E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107755239350E+04 -0.60307E+00 -0.10024E+00 3367 0.107E+00 0.282E-01
RMM: 2 -0.107755780352E+04 -0.54100E-02 -0.69174E-02 4101 0.296E-01 0.216E-01
RMM: 3 -0.107755867076E+04 -0.86724E-03 -0.14526E-02 3961 0.105E-01 0.139E-01
RMM: 4 -0.107755906811E+04 -0.39735E-03 -0.63249E-03 3466 0.494E-02 0.455E-02
RMM: 5 -0.107755932893E+04 -0.26082E-03 -0.34336E-03 3037 0.254E-02 0.352E-02
RMM: 6 -0.107755957791E+04 -0.24898E-03 -0.29602E-03 2078 0.151E-02 0.213E-02
RMM: 7 -0.107755981397E+04 -0.23605E-03 -0.24468E-03 2223 0.148E-02 0.943E-03
RMM: 8 -0.107756005077E+04 -0.23680E-03 -0.24402E-03 1845 0.941E-03 0.587E-03
RMM: 9 -0.107756024349E+04 -0.19272E-03 -0.19728E-03 1809 0.109E-02 0.503E-03
RMM: 10 -0.107756045122E+04 -0.20774E-03 -0.21463E-03 2150 0.158E-02 0.371E-03
RMM: 11 -0.107756062208E+04 -0.17085E-03 -0.17775E-03 1937 0.138E-02 0.215E-03
RMM: 12 -0.107756079987E+04 -0.17779E-03 -0.18427E-03 1936 0.128E-02 0.233E-03
RMM: 13 -0.107756094601E+04 -0.14614E-03 -0.15212E-03 1618 0.125E-02 0.391E-03
RMM: 14 -0.107756109804E+04 -0.15203E-03 -0.15903E-03 1598 0.146E-02 0.316E-03
RMM: 15 -0.107756122833E+04 -0.13029E-03 -0.13977E-03 1747 0.169E-02 0.252E-03
RMM: 16 -0.107756136263E+04 -0.13431E-03 -0.14171E-03 1582 0.145E-02 0.270E-03
RMM: 17 -0.107756147395E+04 -0.11131E-03 -0.11870E-03 1525 0.141E-02 0.337E-03
RMM: 18 -0.107756159087E+04 -0.11693E-03 -0.12478E-03 1563 0.154E-02 0.408E-03
RMM: 19 -0.107756169040E+04 -0.99522E-04 -0.10715E-03 1528 0.150E-02 0.466E-03
RMM: 20 -0.107756179353E+04 -0.10314E-03 -0.11089E-03 1537 0.151E-02 0.533E-03
RMM: 21 -0.107756188092E+04 -0.87384E-04 -0.94922E-04 1506 0.143E-02
301 T= 761. E= -.10763178E+04 F= -.10775619E+04 E0= -.10775348E+04 EK= 0.15244E+02 SP= -.14E+02 SK= 0.22E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107767716910E+04 -0.11538E+00 -0.13352E+00 3344 0.123E+00 0.336E-01
RMM: 2 -0.107768359205E+04 -0.64229E-02 -0.87775E-02 4140 0.342E-01 0.261E-01
RMM: 3 -0.107768411488E+04 -0.52283E-03 -0.15570E-02 4021 0.116E-01 0.159E-01
RMM: 4 -0.107768431697E+04 -0.20209E-03 -0.55533E-03 3489 0.554E-02 0.507E-02
RMM: 5 -0.107768445432E+04 -0.13735E-03 -0.22230E-03 3127 0.270E-02 0.442E-02
RMM: 6 -0.107768452783E+04 -0.73509E-04 -0.14193E-03 2341 0.163E-02 0.240E-02
RMM: 7 -0.107768464954E+04 -0.12172E-03 -0.12825E-03 2166 0.138E-02 0.109E-02
RMM: 8 -0.107768475079E+04 -0.10124E-03 -0.10950E-03 1861 0.933E-03 0.709E-03
RMM: 9 -0.107768484760E+04 -0.96817E-04 -0.10141E-03 1789 0.111E-02 0.621E-03
RMM: 10 -0.107768494736E+04 -0.99757E-04 -0.10818E-03 2200 0.166E-02 0.389E-03
RMM: 11 -0.107768503703E+04 -0.89673E-04 -0.95797E-04 1793 0.118E-02
302 T= 760. E= -.10763128E+04 F= -.10776850E+04 E0= -.10776566E+04 EK= 0.15223E+02 SP= -.14E+02 SK= 0.33E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107741982856E+04 0.26512E+00 -0.15344E+00 3341 0.131E+00 0.345E-01
RMM: 2 -0.107742745533E+04 -0.76268E-02 -0.10387E-01 4141 0.376E-01 0.262E-01
RMM: 3 -0.107742839189E+04 -0.93656E-03 -0.19314E-02 4054 0.129E-01 0.169E-01
RMM: 4 -0.107742896770E+04 -0.57581E-03 -0.79189E-03 3729 0.619E-02 0.839E-02
RMM: 5 -0.107742890788E+04 0.59825E-04 -0.33591E-03 3216 0.299E-02 0.480E-02
RMM: 6 -0.107742908896E+04 -0.18108E-03 -0.25863E-03 2499 0.178E-02 0.267E-02
RMM: 7 -0.107742928259E+04 -0.19363E-03 -0.20285E-03 2170 0.139E-02 0.923E-03
RMM: 8 -0.107742948151E+04 -0.19892E-03 -0.20410E-03 1854 0.940E-03 0.641E-03
RMM: 9 -0.107742964335E+04 -0.16184E-03 -0.16386E-03 1802 0.105E-02 0.510E-03
RMM: 10 -0.107742982348E+04 -0.18013E-03 -0.18880E-03 2168 0.166E-02 0.354E-03
RMM: 11 -0.107742996937E+04 -0.14589E-03 -0.15214E-03 1884 0.122E-02 0.238E-03
RMM: 12 -0.107743012531E+04 -0.15594E-03 -0.16279E-03 1914 0.131E-02 0.301E-03
RMM: 13 -0.107743025448E+04 -0.12917E-03 -0.13567E-03 1631 0.131E-02 0.369E-03
RMM: 14 -0.107743039119E+04 -0.13671E-03 -0.14546E-03 1560 0.151E-02 0.429E-03
RMM: 15 -0.107743051228E+04 -0.12109E-03 -0.13296E-03 1622 0.176E-02 0.502E-03
RMM: 16 -0.107743062986E+04 -0.11758E-03 -0.13141E-03 1503 0.158E-02 0.559E-03
RMM: 17 -0.107743073413E+04 -0.10427E-03 -0.11350E-03 1573 0.171E-02 0.618E-03
RMM: 18 -0.107743084353E+04 -0.10940E-03 -0.11657E-03 1507 0.163E-02 0.681E-03
RMM: 19 -0.107743093899E+04 -0.95452E-04 -0.10380E-03 1573 0.173E-02 0.738E-03
RMM: 20 -0.107743103732E+04 -0.98335E-04 -0.10572E-03 1455 0.156E-02 0.792E-03
RMM: 21 -0.107743112229E+04 -0.84969E-04 -0.92772E-04 1513 0.154E-02
303 T= 740. E= -.10762823E+04 F= -.10774311E+04 E0= -.10774011E+04 EK= 0.14824E+02 SP= -.14E+02 SK= 0.44E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107725495885E+04 0.17608E+00 -0.14391E+00 3330 0.123E+00 0.389E-01
RMM: 2 -0.107726121581E+04 -0.62570E-02 -0.95135E-02 4138 0.351E-01 0.289E-01
RMM: 3 -0.107726170084E+04 -0.48503E-03 -0.19060E-02 4056 0.125E-01 0.150E-01
RMM: 4 -0.107726218747E+04 -0.48663E-03 -0.58231E-03 3738 0.577E-02 0.833E-02
RMM: 5 -0.107726215395E+04 0.33525E-04 -0.23041E-03 2916 0.266E-02 0.587E-02
RMM: 6 -0.107726226062E+04 -0.10667E-03 -0.17866E-03 2624 0.190E-02 0.180E-02
RMM: 7 -0.107726238039E+04 -0.11977E-03 -0.13419E-03 1984 0.127E-02 0.113E-02
RMM: 8 -0.107726250232E+04 -0.12192E-03 -0.13048E-03 1986 0.121E-02 0.825E-03
RMM: 9 -0.107726261907E+04 -0.11676E-03 -0.11996E-03 1932 0.121E-02 0.488E-03
RMM: 10 -0.107726273897E+04 -0.11990E-03 -0.12678E-03 2097 0.146E-02 0.202E-03
RMM: 11 -0.107726284766E+04 -0.10869E-03 -0.11292E-03 1894 0.116E-02 0.173E-03
RMM: 12 -0.107726295864E+04 -0.11098E-03 -0.11693E-03 2017 0.136E-02 0.191E-03
RMM: 13 -0.107726306068E+04 -0.10204E-03 -0.10722E-03 1646 0.127E-02 0.262E-03
RMM: 14 -0.107726316645E+04 -0.10577E-03 -0.11385E-03 1672 0.163E-02 0.253E-03
RMM: 15 -0.107726326798E+04 -0.10153E-03 -0.10984E-03 1585 0.157E-02 0.253E-03
RMM: 16 -0.107726336440E+04 -0.96415E-04 -0.10656E-03 1567 0.156E-02 0.258E-03
RMM: 17 -0.107726345942E+04 -0.95023E-04 -0.10250E-03 1547 0.165E-02 0.264E-03
RMM: 18 -0.107726355677E+04 -0.97350E-04 -0.10582E-03 1625 0.176E-02 0.286E-03
RMM: 19 -0.107726364971E+04 -0.92943E-04 -0.99929E-04 1491 0.154E-02
304 T= 722. E= -.10762723E+04 F= -.10772636E+04 E0= -.10772313E+04 EK= 0.14475E+02 SP= -.14E+02 SK= 0.51E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107733331998E+04 -0.69763E-01 -0.11164E+00 3379 0.110E+00 0.342E-01
RMM: 2 -0.107733863720E+04 -0.53172E-02 -0.78146E-02 4112 0.313E-01 0.260E-01
RMM: 3 -0.107733914729E+04 -0.51009E-03 -0.16736E-02 4069 0.111E-01 0.141E-01
RMM: 4 -0.107733948352E+04 -0.33623E-03 -0.55127E-03 3570 0.503E-02 0.608E-02
RMM: 5 -0.107733973118E+04 -0.24767E-03 -0.30242E-03 2822 0.240E-02 0.509E-02
RMM: 6 -0.107733987390E+04 -0.14272E-03 -0.22675E-03 2266 0.162E-02 0.201E-02
RMM: 7 -0.107734008532E+04 -0.21141E-03 -0.21997E-03 2141 0.146E-02 0.885E-03
RMM: 8 -0.107734027972E+04 -0.19440E-03 -0.19846E-03 1923 0.107E-02 0.634E-03
RMM: 9 -0.107734046851E+04 -0.18879E-03 -0.19308E-03 1850 0.116E-02 0.440E-03
RMM: 10 -0.107734065266E+04 -0.18415E-03 -0.19137E-03 2106 0.150E-02 0.207E-03
RMM: 11 -0.107734082812E+04 -0.17547E-03 -0.18116E-03 1846 0.122E-02 0.192E-03
RMM: 12 -0.107734099940E+04 -0.17128E-03 -0.17876E-03 2026 0.145E-02 0.277E-03
RMM: 13 -0.107734116483E+04 -0.16542E-03 -0.17043E-03 1590 0.125E-02 0.329E-03
RMM: 14 -0.107734132278E+04 -0.15796E-03 -0.16516E-03 1561 0.150E-02 0.413E-03
RMM: 15 -0.107734148144E+04 -0.15865E-03 -0.16741E-03 1644 0.172E-02 0.476E-03
RMM: 16 -0.107734163282E+04 -0.15138E-03 -0.15883E-03 1553 0.155E-02 0.554E-03
RMM: 17 -0.107734178102E+04 -0.14820E-03 -0.15607E-03 1547 0.161E-02 0.622E-03
RMM: 18 -0.107734192554E+04 -0.14452E-03 -0.15217E-03 1525 0.163E-02 0.694E-03
RMM: 19 -0.107734206702E+04 -0.14148E-03 -0.14932E-03 1536 0.162E-02 0.766E-03
RMM: 20 -0.107734220496E+04 -0.13795E-03 -0.14479E-03 1489 0.153E-02 0.837E-03
RMM: 21 -0.107734233974E+04 -0.13478E-03 -0.14171E-03 1501 0.155E-02 0.906E-03
RMM: 22 -0.107734247088E+04 -0.13114E-03 -0.13857E-03 1481 0.155E-02 0.978E-03
RMM: 23 -0.107734259984E+04 -0.12896E-03 -0.13628E-03 1491 0.157E-02 0.104E-02
RMM: 24 -0.107734272564E+04 -0.12580E-03 -0.13309E-03 1469 0.153E-02 0.111E-02
RMM: 25 -0.107734284854E+04 -0.12290E-03 -0.12990E-03 1452 0.152E-02 0.118E-02
RMM: 26 -0.107734296880E+04 -0.12025E-03 -0.12784E-03 1459 0.160E-02 0.124E-02
RMM: 27 -0.107734308740E+04 -0.11861E-03 -0.12637E-03 1498 0.163E-02 0.131E-02
RMM: 28 -0.107734320276E+04 -0.11536E-03 -0.12273E-03 1471 0.159E-02 0.137E-02
RMM: 29 -0.107734331705E+04 -0.11429E-03 -0.12201E-03 1517 0.164E-02 0.143E-02
RMM: 30 -0.107734342809E+04 -0.11104E-03 -0.11776E-03 1447 0.155E-02 0.150E-02
RMM: 31 -0.107734353793E+04 -0.10984E-03 -0.11758E-03 1500 0.161E-02 0.156E-02
RMM: 32 -0.107734364519E+04 -0.10726E-03 -0.11418E-03 1433 0.152E-02 0.162E-02
RMM: 33 -0.107734374978E+04 -0.10459E-03 -0.11222E-03 1439 0.159E-02 0.168E-02
RMM: 34 -0.107734385451E+04 -0.10473E-03 -0.11232E-03 1475 0.163E-02 0.174E-02
RMM: 35 -0.107734395575E+04 -0.10124E-03 -0.10847E-03 1426 0.150E-02 0.180E-02
RMM: 36 -0.107734405555E+04 -0.99796E-04 -0.10725E-03 1432 0.155E-02 0.185E-02
RMM: 37 -0.107734415316E+04 -0.97613E-04 -0.10508E-03 1408 0.156E-02 0.191E-02
RMM: 38 -0.107734425023E+04 -0.97069E-04 -0.10484E-03 1439 0.158E-02 0.196E-02
RMM: 39 -0.107734434508E+04 -0.94848E-04 -0.10220E-03 1421 0.155E-02 0.202E-02
RMM: 40 -0.107734443847E+04 -0.93389E-04 -0.10052E-03 1422 0.152E-02 0.207E-02
RMM: 41 -0.107734453035E+04 -0.91879E-04 -0.99025E-04 1433 0.149E-02
305 T= 716. E= -.10762930E+04 F= -.10773445E+04 E0= -.10773087E+04 EK= 0.14338E+02 SP= -.13E+02 SK= 0.55E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107742531278E+04 -0.80874E-01 -0.10943E+00 3371 0.111E+00 0.332E-01
RMM: 2 -0.107743042062E+04 -0.51078E-02 -0.75795E-02 4154 0.309E-01 0.249E-01
RMM: 3 -0.107743119983E+04 -0.77921E-03 -0.16029E-02 4126 0.109E-01 0.157E-01
RMM: 4 -0.107743168603E+04 -0.48620E-03 -0.60274E-03 3629 0.516E-02 0.979E-02
RMM: 5 -0.107743148229E+04 0.20373E-03 -0.27030E-03 3011 0.268E-02 0.419E-02
RMM: 6 -0.107743162681E+04 -0.14452E-03 -0.18765E-03 2404 0.166E-02 0.221E-02
RMM: 7 -0.107743177988E+04 -0.15307E-03 -0.16774E-03 2080 0.129E-02 0.987E-03
RMM: 8 -0.107743192031E+04 -0.14043E-03 -0.14740E-03 1947 0.103E-02 0.513E-03
RMM: 9 -0.107743205767E+04 -0.13736E-03 -0.14112E-03 1816 0.112E-02 0.308E-03
RMM: 10 -0.107743219344E+04 -0.13577E-03 -0.14478E-03 2237 0.168E-02 0.171E-03
RMM: 11 -0.107743232052E+04 -0.12709E-03 -0.13159E-03 1794 0.113E-02 0.166E-03
RMM: 12 -0.107743244091E+04 -0.12039E-03 -0.12785E-03 1952 0.142E-02 0.195E-03
RMM: 13 -0.107743255736E+04 -0.11645E-03 -0.12306E-03 1582 0.132E-02 0.260E-03
RMM: 14 -0.107743266732E+04 -0.10996E-03 -0.11850E-03 1582 0.153E-02 0.256E-03
RMM: 15 -0.107743277435E+04 -0.10702E-03 -0.11664E-03 1599 0.162E-02 0.271E-03
RMM: 16 -0.107743287690E+04 -0.10255E-03 -0.11036E-03 1622 0.159E-02 0.249E-03
RMM: 17 -0.107743297458E+04 -0.97679E-04 -0.10485E-03 1564 0.153E-02 0.253E-03
RMM: 18 -0.107743306850E+04 -0.93916E-04 -0.10164E-03 1566 0.167E-02 0.258E-03
RMM: 19 -0.107743316041E+04 -0.91910E-04 -0.10006E-03 1534 0.165E-02 0.284E-03
RMM: 20 -0.107743324821E+04 -0.87803E-04 -0.95059E-04 1524 0.156E-02
306 T= 709. E= -.10763045E+04 F= -.10774332E+04 E0= -.10773964E+04 EK= 0.14213E+02 SP= -.13E+02 SK= 0.58E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107733381356E+04 0.99347E-01 -0.10801E+00 3382 0.110E+00 0.319E-01
RMM: 2 -0.107733879668E+04 -0.49831E-02 -0.77323E-02 4180 0.309E-01 0.236E-01
RMM: 3 -0.107733963508E+04 -0.83841E-03 -0.16649E-02 4195 0.108E-01 0.181E-01
RMM: 4 -0.107733972522E+04 -0.90132E-04 -0.60981E-03 3596 0.493E-02 0.103E-01
RMM: 5 -0.107733988485E+04 -0.15964E-03 -0.39014E-03 3115 0.309E-02 0.494E-02
RMM: 6 -0.107734003997E+04 -0.15511E-03 -0.23894E-03 2445 0.173E-02 0.335E-02
RMM: 7 -0.107734022569E+04 -0.18573E-03 -0.21957E-03 2071 0.123E-02 0.184E-02
RMM: 8 -0.107734042424E+04 -0.19854E-03 -0.20820E-03 2144 0.120E-02 0.744E-03
RMM: 9 -0.107734061544E+04 -0.19121E-03 -0.19606E-03 1776 0.896E-03 0.460E-03
RMM: 10 -0.107734079931E+04 -0.18387E-03 -0.18838E-03 1806 0.108E-02 0.352E-03
RMM: 11 -0.107734098050E+04 -0.18119E-03 -0.18628E-03 1903 0.118E-02 0.201E-03
RMM: 12 -0.107734115418E+04 -0.17368E-03 -0.18015E-03 1822 0.131E-02 0.171E-03
RMM: 13 -0.107734132505E+04 -0.17087E-03 -0.17721E-03 1589 0.130E-02 0.247E-03
RMM: 14 -0.107734149028E+04 -0.16522E-03 -0.17180E-03 1500 0.147E-02 0.387E-03
RMM: 15 -0.107734165210E+04 -0.16182E-03 -0.16999E-03 1495 0.157E-02 0.454E-03
RMM: 16 -0.107734181042E+04 -0.15832E-03 -0.16752E-03 1595 0.170E-02 0.567E-03
RMM: 17 -0.107734196527E+04 -0.15485E-03 -0.16168E-03 1496 0.156E-02 0.651E-03
RMM: 18 -0.107734211602E+04 -0.15075E-03 -0.15758E-03 1498 0.157E-02 0.743E-03
RMM: 19 -0.107734226255E+04 -0.14653E-03 -0.15269E-03 1452 0.150E-02 0.847E-03
RMM: 20 -0.107734240630E+04 -0.14375E-03 -0.15182E-03 1521 0.171E-02 0.928E-03
RMM: 21 -0.107734254808E+04 -0.14178E-03 -0.15026E-03 1550 0.169E-02 0.101E-02
RMM: 22 -0.107734268649E+04 -0.13842E-03 -0.14605E-03 1490 0.157E-02 0.110E-02
RMM: 23 -0.107734282130E+04 -0.13480E-03 -0.14246E-03 1448 0.151E-02 0.119E-02
RMM: 24 -0.107734295475E+04 -0.13345E-03 -0.14377E-03 1539 0.165E-02 0.127E-02
RMM: 25 -0.107734308762E+04 -0.13287E-03 -0.14602E-03 1472 0.159E-02 0.136E-02
RMM: 26 -0.107734320428E+04 -0.11666E-03 -0.13779E-03 1521 0.168E-02 0.144E-02
RMM: 27 -0.107734332716E+04 -0.12288E-03 -0.13065E-03 1509 0.163E-02 0.152E-02
RMM: 28 -0.107734344693E+04 -0.11977E-03 -0.12742E-03 1510 0.166E-02 0.160E-02
RMM: 29 -0.107734356454E+04 -0.11761E-03 -0.12561E-03 1524 0.164E-02 0.168E-02
RMM: 30 -0.107734367847E+04 -0.11393E-03 -0.12146E-03 1479 0.161E-02 0.175E-02
RMM: 31 -0.107734379055E+04 -0.11208E-03 -0.12033E-03 1497 0.165E-02 0.183E-02
RMM: 32 -0.107734389965E+04 -0.10910E-03 -0.11677E-03 1469 0.161E-02 0.190E-02
RMM: 33 -0.107734400675E+04 -0.10710E-03 -0.11594E-03 1502 0.167E-02 0.198E-02
RMM: 34 -0.107734411027E+04 -0.10352E-03 -0.11120E-03 1483 0.160E-02 0.205E-02
RMM: 35 -0.107734421293E+04 -0.10265E-03 -0.11006E-03 1491 0.160E-02 0.212E-02
RMM: 36 -0.107734431268E+04 -0.99752E-04 -0.10703E-03 1446 0.153E-02 0.219E-02
RMM: 37 -0.107734441015E+04 -0.97470E-04 -0.10536E-03 1473 0.155E-02 0.226E-02
RMM: 38 -0.107734450366E+04 -0.93511E-04 -0.10027E-03 1393 0.148E-02 0.232E-02
RMM: 39 -0.107734459663E+04 -0.92972E-04 -0.10117E-03 1499 0.164E-02 0.239E-02
RMM: 40 -0.107734468701E+04 -0.90383E-04 -0.97432E-04 1435 0.152E-02
307 T= 695. E= -.10763053E+04 F= -.10773447E+04 E0= -.10773084E+04 EK= 0.13921E+02 SP= -.13E+02 SK= 0.58E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107701624686E+04 0.32835E+00 -0.97143E-01 3397 0.107E+00 0.259E-01
RMM: 2 -0.107702117003E+04 -0.49232E-02 -0.70604E-02 4180 0.308E-01 0.186E-01
RMM: 3 -0.107702221402E+04 -0.10440E-02 -0.14715E-02 4220 0.106E-01 0.154E-01
RMM: 4 -0.107702229408E+04 -0.80062E-04 -0.43792E-03 3673 0.450E-02 0.108E-01
RMM: 5 -0.107702235960E+04 -0.65517E-04 -0.30686E-03 3109 0.302E-02 0.364E-02
RMM: 6 -0.107702249749E+04 -0.13789E-03 -0.17567E-03 2429 0.167E-02 0.232E-02
RMM: 7 -0.107702263849E+04 -0.14100E-03 -0.15883E-03 1986 0.107E-02 0.141E-02
RMM: 8 -0.107702277534E+04 -0.13685E-03 -0.14665E-03 2049 0.104E-02 0.632E-03
RMM: 9 -0.107702290968E+04 -0.13434E-03 -0.13768E-03 1791 0.883E-03 0.396E-03
RMM: 10 -0.107702303745E+04 -0.12777E-03 -0.13349E-03 1937 0.122E-02 0.231E-03
RMM: 11 -0.107702316288E+04 -0.12543E-03 -0.13020E-03 1959 0.126E-02 0.197E-03
RMM: 12 -0.107702328262E+04 -0.11974E-03 -0.12652E-03 1858 0.140E-02 0.141E-03
RMM: 13 -0.107702339889E+04 -0.11627E-03 -0.12356E-03 1614 0.138E-02 0.162E-03
RMM: 14 -0.107702351018E+04 -0.11129E-03 -0.11965E-03 1584 0.158E-02 0.205E-03
RMM: 15 -0.107702361991E+04 -0.10973E-03 -0.11766E-03 1525 0.162E-02 0.313E-03
RMM: 16 -0.107702372684E+04 -0.10693E-03 -0.11530E-03 1583 0.164E-02 0.329E-03
RMM: 17 -0.107702382935E+04 -0.10251E-03 -0.11097E-03 1528 0.160E-02 0.372E-03
RMM: 18 -0.107702392928E+04 -0.99930E-04 -0.10754E-03 1518 0.161E-02 0.426E-03
RMM: 19 -0.107702402782E+04 -0.98536E-04 -0.10637E-03 1519 0.162E-02 0.493E-03
RMM: 20 -0.107702412024E+04 -0.92421E-04 -0.10048E-03 1481 0.160E-02 0.557E-03
RMM: 21 -0.107702421355E+04 -0.93316E-04 -0.10219E-03 1576 0.175E-02 0.606E-03
RMM: 22 -0.107702430267E+04 -0.89116E-04 -0.97262E-04 1530 0.167E-02
308 T= 670. E= -.10762910E+04 F= -.10770243E+04 E0= -.10769887E+04 EK= 0.13422E+02 SP= -.13E+02 SK= 0.52E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107661540311E+04 0.40881E+00 -0.10318E+00 3421 0.110E+00 0.279E-01
RMM: 2 -0.107662106070E+04 -0.56576E-02 -0.77472E-02 4181 0.322E-01 0.208E-01
RMM: 3 -0.107662218726E+04 -0.11266E-02 -0.15959E-02 4208 0.112E-01 0.156E-01
RMM: 4 -0.107662255296E+04 -0.36570E-03 -0.61074E-03 3734 0.500E-02 0.104E-01
RMM: 5 -0.107662257617E+04 -0.23212E-04 -0.32478E-03 3130 0.276E-02 0.352E-02
RMM: 6 -0.107662280761E+04 -0.23144E-03 -0.25375E-03 2213 0.155E-02 0.186E-02
RMM: 7 -0.107662301959E+04 -0.21198E-03 -0.21835E-03 1962 0.110E-02 0.953E-03
RMM: 8 -0.107662322784E+04 -0.20824E-03 -0.21240E-03 1913 0.960E-03 0.485E-03
RMM: 9 -0.107662341629E+04 -0.18845E-03 -0.19120E-03 1783 0.992E-03 0.318E-03
RMM: 10 -0.107662360760E+04 -0.19131E-03 -0.19788E-03 2021 0.141E-02 0.199E-03
RMM: 11 -0.107662377915E+04 -0.17155E-03 -0.17577E-03 1818 0.121E-02 0.162E-03
RMM: 12 -0.107662395492E+04 -0.17576E-03 -0.18332E-03 1996 0.151E-02 0.154E-03
RMM: 13 -0.107662411244E+04 -0.15752E-03 -0.16299E-03 1533 0.119E-02 0.116E-03
RMM: 14 -0.107662426832E+04 -0.15588E-03 -0.16264E-03 1550 0.140E-02 0.780E-04
RMM: 15 -0.107662441443E+04 -0.14611E-03 -0.15455E-03 1588 0.154E-02 0.757E-04
RMM: 16 -0.107662455753E+04 -0.14310E-03 -0.15053E-03 1535 0.149E-02 0.101E-03
RMM: 17 -0.107662469246E+04 -0.13493E-03 -0.14293E-03 1562 0.161E-02 0.182E-03
RMM: 18 -0.107662482582E+04 -0.13337E-03 -0.14029E-03 1486 0.156E-02 0.267E-03
RMM: 19 -0.107662495128E+04 -0.12546E-03 -0.13304E-03 1477 0.156E-02 0.330E-03
RMM: 20 -0.107662507510E+04 -0.12382E-03 -0.13148E-03 1492 0.152E-02 0.390E-03
RMM: 21 -0.107662519134E+04 -0.11624E-03 -0.12394E-03 1470 0.155E-02 0.446E-03
RMM: 22 -0.107662530653E+04 -0.11519E-03 -0.12263E-03 1451 0.153E-02 0.509E-03
RMM: 23 -0.107662541510E+04 -0.10857E-03 -0.11653E-03 1501 0.159E-02 0.564E-03
RMM: 24 -0.107662552274E+04 -0.10764E-03 -0.11535E-03 1496 0.159E-02 0.624E-03
RMM: 25 -0.107662562482E+04 -0.10208E-03 -0.10953E-03 1490 0.157E-02 0.679E-03
RMM: 26 -0.107662572639E+04 -0.10157E-03 -0.10931E-03 1508 0.160E-02 0.734E-03
RMM: 27 -0.107662582258E+04 -0.96186E-04 -0.10375E-03 1508 0.156E-02 0.786E-03
RMM: 28 -0.107662591815E+04 -0.95574E-04 -0.10302E-03 1499 0.159E-02 0.839E-03
RMM: 29 -0.107662600803E+04 -0.89877E-04 -0.97012E-04 1437 0.158E-02
309 T= 643. E= -.10762655E+04 F= -.10766260E+04 E0= -.10765895E+04 EK= 0.12879E+02 SP= -.13E+02 SK= 0.40E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107647147618E+04 0.15444E+00 -0.10034E+00 3428 0.108E+00 0.282E-01
RMM: 2 -0.107647677408E+04 -0.52979E-02 -0.73299E-02 4128 0.313E-01 0.219E-01
RMM: 3 -0.107647730344E+04 -0.52936E-03 -0.12855E-02 4024 0.109E-01 0.139E-01
RMM: 4 -0.107647753221E+04 -0.22877E-03 -0.48729E-03 3541 0.528E-02 0.551E-02
RMM: 5 -0.107647763562E+04 -0.10341E-03 -0.20116E-03 3064 0.261E-02 0.438E-02
RMM: 6 -0.107647769220E+04 -0.56585E-04 -0.11788E-03 2242 0.163E-02 0.255E-02
RMM: 7 -0.107647780678E+04 -0.11458E-03 -0.12154E-03 2247 0.152E-02 0.121E-02
RMM: 8 -0.107647789238E+04 -0.85595E-04 -0.95143E-04 1884 0.100E-02
310 T= 629. E= -.10762550E+04 F= -.10764779E+04 E0= -.10764413E+04 EK= 0.12603E+02 SP= -.12E+02 SK= 0.26E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107670664728E+04 -0.22884E+00 -0.92714E-01 3437 0.103E+00 0.274E-01
RMM: 2 -0.107671143960E+04 -0.47923E-02 -0.66453E-02 4168 0.295E-01 0.208E-01
RMM: 3 -0.107671215497E+04 -0.71537E-03 -0.13667E-02 4061 0.108E-01 0.140E-01
RMM: 4 -0.107671255912E+04 -0.40415E-03 -0.58778E-03 3611 0.515E-02 0.731E-02
RMM: 5 -0.107671265049E+04 -0.91370E-04 -0.30659E-03 2969 0.258E-02 0.423E-02
RMM: 6 -0.107671281820E+04 -0.16771E-03 -0.21523E-03 2284 0.167E-02 0.268E-02
RMM: 7 -0.107671301883E+04 -0.20062E-03 -0.21397E-03 2184 0.151E-02 0.129E-02
RMM: 8 -0.107671319078E+04 -0.17196E-03 -0.18055E-03 1908 0.107E-02 0.612E-03
RMM: 9 -0.107671336782E+04 -0.17704E-03 -0.18047E-03 1867 0.128E-02 0.462E-03
RMM: 10 -0.107671353852E+04 -0.17070E-03 -0.17847E-03 2267 0.184E-02 0.249E-03
RMM: 11 -0.107671370472E+04 -0.16620E-03 -0.16968E-03 1843 0.118E-02 0.203E-03
RMM: 12 -0.107671386054E+04 -0.15582E-03 -0.16222E-03 1987 0.136E-02 0.272E-03
RMM: 13 -0.107671401214E+04 -0.15160E-03 -0.15703E-03 1684 0.122E-02 0.352E-03
RMM: 14 -0.107671415532E+04 -0.14318E-03 -0.15086E-03 1670 0.157E-02 0.411E-03
RMM: 15 -0.107671429818E+04 -0.14286E-03 -0.15105E-03 1599 0.166E-02 0.501E-03
RMM: 16 -0.107671443459E+04 -0.13641E-03 -0.14441E-03 1584 0.170E-02 0.569E-03
RMM: 17 -0.107671456951E+04 -0.13492E-03 -0.14290E-03 1584 0.169E-02 0.643E-03
RMM: 18 -0.107671469699E+04 -0.12748E-03 -0.13407E-03 1492 0.164E-02 0.729E-03
RMM: 19 -0.107671482573E+04 -0.12874E-03 -0.13756E-03 1644 0.186E-02 0.782E-03
RMM: 20 -0.107671494850E+04 -0.12277E-03 -0.13053E-03 1544 0.168E-02 0.832E-03
RMM: 21 -0.107671506973E+04 -0.12123E-03 -0.12938E-03 1600 0.166E-02 0.857E-03
RMM: 22 -0.107671518486E+04 -0.11513E-03 -0.12307E-03 1535 0.153E-02 0.842E-03
RMM: 23 -0.107671529872E+04 -0.11386E-03 -0.12265E-03 1716 0.163E-02 0.764E-03
RMM: 24 -0.107671540898E+04 -0.11026E-03 -0.11821E-03 1619 0.161E-02 0.780E-03
RMM: 25 -0.107671552001E+04 -0.11103E-03 -0.11914E-03 1630 0.162E-02 0.818E-03
RMM: 26 -0.107671562546E+04 -0.10545E-03 -0.11159E-03 1474 0.145E-02 0.887E-03
RMM: 27 -0.107671573002E+04 -0.10457E-03 -0.11188E-03 1563 0.156E-02 0.936E-03
RMM: 28 -0.107671583231E+04 -0.10228E-03 -0.10946E-03 1528 0.157E-02 0.994E-03
RMM: 29 -0.107671593329E+04 -0.10098E-03 -0.10863E-03 1533 0.158E-02 0.105E-02
RMM: 30 -0.107671603152E+04 -0.98235E-04 -0.10546E-03 1499 0.156E-02 0.112E-02
RMM: 31 -0.107671612912E+04 -0.97601E-04 -0.10563E-03 1521 0.164E-02 0.118E-02
RMM: 32 -0.107671622464E+04 -0.95516E-04 -0.10346E-03 1501 0.160E-02 0.125E-02
RMM: 33 -0.107671631790E+04 -0.93265E-04 -0.10053E-03 1467 0.157E-02 0.131E-02
RMM: 34 -0.107671641085E+04 -0.92942E-04 -0.10066E-03 1511 0.166E-02 0.137E-02
RMM: 35 -0.107671650319E+04 -0.92348E-04 -0.99671E-04 1510 0.163E-02
311 T= 635. E= -.10762725E+04 F= -.10767165E+04 E0= -.10766783E+04 EK= 0.12720E+02 SP= -.12E+02 SK= 0.14E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107710515205E+04 -0.38874E+00 -0.10221E+00 3419 0.107E+00 0.296E-01
RMM: 2 -0.107711028744E+04 -0.51354E-02 -0.70808E-02 4147 0.302E-01 0.223E-01
RMM: 3 -0.107711105008E+04 -0.76264E-03 -0.14264E-02 4067 0.109E-01 0.143E-01
RMM: 4 -0.107711140570E+04 -0.35562E-03 -0.54104E-03 3568 0.522E-02 0.635E-02
RMM: 5 -0.107711148675E+04 -0.81052E-04 -0.26720E-03 3015 0.262E-02 0.410E-02
RMM: 6 -0.107711160676E+04 -0.12001E-03 -0.17630E-03 2209 0.158E-02 0.246E-02
RMM: 7 -0.107711177536E+04 -0.16859E-03 -0.17987E-03 2151 0.147E-02 0.122E-02
RMM: 8 -0.107711191780E+04 -0.14244E-03 -0.15181E-03 1891 0.105E-02 0.551E-03
RMM: 9 -0.107711206554E+04 -0.14774E-03 -0.15254E-03 1845 0.124E-02 0.402E-03
RMM: 10 -0.107711220917E+04 -0.14363E-03 -0.15220E-03 2231 0.177E-02 0.229E-03
RMM: 11 -0.107711235172E+04 -0.14255E-03 -0.14808E-03 1894 0.134E-02 0.192E-03
RMM: 12 -0.107711248742E+04 -0.13571E-03 -0.14218E-03 2030 0.144E-02 0.239E-03
RMM: 13 -0.107711262163E+04 -0.13421E-03 -0.13966E-03 1657 0.129E-02 0.308E-03
RMM: 14 -0.107711274883E+04 -0.12720E-03 -0.13383E-03 1571 0.152E-02 0.338E-03
RMM: 15 -0.107711288034E+04 -0.13151E-03 -0.14050E-03 1673 0.175E-02 0.408E-03
RMM: 16 -0.107711300504E+04 -0.12470E-03 -0.13118E-03 1546 0.152E-02 0.470E-03
RMM: 17 -0.107711313051E+04 -0.12547E-03 -0.13286E-03 1560 0.160E-02 0.527E-03
RMM: 18 -0.107711324991E+04 -0.11940E-03 -0.12586E-03 1448 0.160E-02 0.593E-03
RMM: 19 -0.107711337316E+04 -0.12325E-03 -0.13203E-03 1616 0.185E-02 0.659E-03
RMM: 20 -0.107711349341E+04 -0.12025E-03 -0.12796E-03 1561 0.168E-02 0.723E-03
RMM: 21 -0.107711361178E+04 -0.11837E-03 -0.12519E-03 1476 0.153E-02 0.788E-03
RMM: 22 -0.107711372714E+04 -0.11537E-03 -0.12267E-03 1479 0.161E-02 0.847E-03
RMM: 23 -0.107711384406E+04 -0.11692E-03 -0.12507E-03 1545 0.173E-02 0.903E-03
RMM: 24 -0.107711395911E+04 -0.11505E-03 -0.12349E-03 1556 0.167E-02 0.960E-03
RMM: 25 -0.107711407379E+04 -0.11468E-03 -0.12225E-03 1482 0.158E-02 0.102E-02
RMM: 26 -0.107711418564E+04 -0.11185E-03 -0.12017E-03 1535 0.163E-02 0.109E-02
RMM: 27 -0.107711429878E+04 -0.11314E-03 -0.12077E-03 1516 0.164E-02 0.115E-02
RMM: 28 -0.107711441006E+04 -0.11128E-03 -0.11811E-03 1490 0.159E-02 0.121E-02
RMM: 29 -0.107711452083E+04 -0.11077E-03 -0.11780E-03 1484 0.162E-02 0.127E-02
RMM: 30 -0.107711463121E+04 -0.11038E-03 -0.11788E-03 1482 0.167E-02 0.133E-02
RMM: 31 -0.107711474206E+04 -0.11084E-03 -0.11813E-03 1483 0.166E-02 0.140E-02
RMM: 32 -0.107711485191E+04 -0.10986E-03 -0.11740E-03 1501 0.164E-02 0.145E-02
RMM: 33 -0.107711496175E+04 -0.10984E-03 -0.11690E-03 1488 0.160E-02 0.152E-02
RMM: 34 -0.107711507004E+04 -0.10828E-03 -0.11526E-03 1444 0.157E-02 0.158E-02
RMM: 35 -0.107711517831E+04 -0.10827E-03 -0.11565E-03 1471 0.163E-02 0.164E-02
RMM: 36 -0.107711528695E+04 -0.10864E-03 -0.11640E-03 1478 0.166E-02 0.170E-02
RMM: 37 -0.107711539533E+04 -0.10838E-03 -0.11621E-03 1491 0.162E-02 0.176E-02
RMM: 38 -0.107711550219E+04 -0.10686E-03 -0.11324E-03 1420 0.151E-02 0.182E-02
RMM: 39 -0.107711560967E+04 -0.10749E-03 -0.11429E-03 1423 0.152E-02 0.188E-02
RMM: 40 -0.107711571555E+04 -0.10587E-03 -0.11253E-03 1404 0.152E-02 0.194E-02
RMM: 41 -0.107711582137E+04 -0.10582E-03 -0.11310E-03 1448 0.160E-02 0.201E-02
RMM: 42 -0.107711592743E+04 -0.10607E-03 -0.11360E-03 1461 0.160E-02 0.207E-02
RMM: 43 -0.107711603236E+04 -0.10492E-03 -0.11154E-03 1415 0.154E-02 0.213E-02
RMM: 44 -0.107711613754E+04 -0.10519E-03 -0.11249E-03 1449 0.162E-02 0.219E-02
RMM: 45 -0.107711624229E+04 -0.10475E-03 -0.11222E-03 1473 0.160E-02 0.225E-02
RMM: 46 -0.107711634604E+04 -0.10374E-03 -0.11030E-03 1398 0.153E-02 0.231E-02
RMM: 47 -0.107711644986E+04 -0.10382E-03 -0.11150E-03 1471 0.161E-02 0.236E-02
RMM: 48 -0.107711655239E+04 -0.10253E-03 -0.11086E-03 1471 0.158E-02 0.238E-02
RMM: 49 -0.107711665326E+04 -0.10087E-03 -0.10981E-03 1450 0.157E-02 0.239E-02
RMM: 50 -0.107711675547E+04 -0.10221E-03 -0.10917E-03 1478 0.157E-02 0.245E-02
RMM: 51 -0.107711685798E+04 -0.10252E-03 -0.10921E-03 1494 0.156E-02 0.251E-02
RMM: 52 -0.107711695887E+04 -0.10089E-03 -0.10735E-03 1452 0.151E-02 0.258E-02
RMM: 53 -0.107711705962E+04 -0.10075E-03 -0.10743E-03 1436 0.152E-02 0.263E-02
RMM: 54 -0.107711715949E+04 -0.99864E-04 -0.10698E-03 1460 0.155E-02 0.269E-02
RMM: 55 -0.107711725848E+04 -0.98994E-04 -0.10582E-03 1413 0.154E-02 0.275E-02
RMM: 56 -0.107711735798E+04 -0.99495E-04 -0.10669E-03 1479 0.157E-02 0.280E-02
RMM: 57 -0.107711745597E+04 -0.97999E-04 -0.10468E-03 1397 0.146E-02 0.286E-02
RMM: 58 -0.107711755366E+04 -0.97684E-04 -0.10403E-03 1420 0.153E-02 0.293E-02
RMM: 59 -0.107711765187E+04 -0.98214E-04 -0.10458E-03 1448 0.156E-02 0.301E-02
RMM: 60 -0.107711774779E+04 -0.95922E-04 -0.10221E-03 1424 0.149E-02 0.308E-02
RMM: 61 -0.107711784370E+04 -0.95911E-04 -0.10254E-03 1434 0.154E-02 0.314E-02
RMM: 62 -0.107711793703E+04 -0.93325E-04 -0.10180E-03 1426 0.154E-02 0.317E-02
RMM: 63 -0.107711803134E+04 -0.94307E-04 -0.10081E-03 1413 0.153E-02 0.325E-02
RMM: 64 -0.107711812473E+04 -0.93394E-04 -0.99288E-04 1391 0.154E-02
312 T= 650. E= -.10763000E+04 F= -.10771181E+04 E0= -.10770754E+04 EK= 0.13019E+02 SP= -.12E+02 SK= 0.69E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107734240501E+04 -0.22437E+00 -0.11920E+00 3405 0.116E+00 0.315E-01
RMM: 2 -0.107734807396E+04 -0.56689E-02 -0.83280E-02 4155 0.326E-01 0.238E-01
RMM: 3 -0.107734906964E+04 -0.99568E-03 -0.17493E-02 4170 0.115E-01 0.177E-01
RMM: 4 -0.107734948887E+04 -0.41923E-03 -0.73320E-03 3639 0.541E-02 0.107E-01
RMM: 5 -0.107734958691E+04 -0.98047E-04 -0.44519E-03 3157 0.310E-02 0.483E-02
RMM: 6 -0.107734982925E+04 -0.24234E-03 -0.30530E-03 2496 0.173E-02 0.335E-02
RMM: 7 -0.107735007611E+04 -0.24685E-03 -0.28683E-03 2026 0.125E-02 0.187E-02
RMM: 8 -0.107735032645E+04 -0.25034E-03 -0.25959E-03 2113 0.127E-02 0.607E-03
RMM: 9 -0.107735057641E+04 -0.24997E-03 -0.25344E-03 1818 0.944E-03 0.461E-03
RMM: 10 -0.107735080223E+04 -0.22582E-03 -0.22996E-03 1893 0.117E-02 0.270E-03
RMM: 11 -0.107735103077E+04 -0.22854E-03 -0.23428E-03 2002 0.133E-02 0.193E-03
RMM: 12 -0.107735123700E+04 -0.20623E-03 -0.21264E-03 1821 0.131E-02 0.204E-03
RMM: 13 -0.107735144342E+04 -0.20642E-03 -0.21309E-03 1617 0.135E-02 0.317E-03
RMM: 14 -0.107735163216E+04 -0.18874E-03 -0.19509E-03 1478 0.144E-02 0.386E-03
RMM: 15 -0.107735182116E+04 -0.18900E-03 -0.19712E-03 1572 0.168E-02 0.448E-03
RMM: 16 -0.107735199669E+04 -0.17553E-03 -0.18370E-03 1588 0.169E-02 0.481E-03
RMM: 17 -0.107735217011E+04 -0.17342E-03 -0.18145E-03 1546 0.161E-02 0.504E-03
RMM: 18 -0.107735233125E+04 -0.16115E-03 -0.16936E-03 1584 0.166E-02 0.525E-03
RMM: 19 -0.107735249089E+04 -0.15964E-03 -0.16755E-03 1522 0.159E-02 0.563E-03
RMM: 20 -0.107735263923E+04 -0.14834E-03 -0.15616E-03 1516 0.160E-02 0.632E-03
RMM: 21 -0.107735278654E+04 -0.14731E-03 -0.15548E-03 1547 0.162E-02 0.691E-03
RMM: 22 -0.107735292369E+04 -0.13715E-03 -0.14513E-03 1505 0.160E-02 0.740E-03
RMM: 23 -0.107735305978E+04 -0.13608E-03 -0.14449E-03 1538 0.164E-02 0.814E-03
RMM: 24 -0.107735318684E+04 -0.12706E-03 -0.13527E-03 1519 0.159E-02 0.875E-03
RMM: 25 -0.107735331147E+04 -0.12463E-03 -0.13271E-03 1527 0.163E-02 0.939E-03
RMM: 26 -0.107735343088E+04 -0.11941E-03 -0.12798E-03 1563 0.171E-02 0.996E-03
RMM: 27 -0.107735354731E+04 -0.11643E-03 -0.12415E-03 1505 0.160E-02 0.105E-02
RMM: 28 -0.107735365823E+04 -0.11092E-03 -0.11899E-03 1516 0.160E-02 0.111E-02
RMM: 29 -0.107735376617E+04 -0.10794E-03 -0.11525E-03 1465 0.154E-02 0.117E-02
RMM: 30 -0.107735386807E+04 -0.10190E-03 -0.11015E-03 1497 0.164E-02 0.123E-02
RMM: 31 -0.107735396996E+04 -0.10189E-03 -0.10997E-03 1517 0.165E-02 0.128E-02
RMM: 32 -0.107735406509E+04 -0.95122E-04 -0.10236E-03 1462 0.156E-02 0.133E-02
RMM: 33 -0.107735415978E+04 -0.94694E-04 -0.10284E-03 1492 0.166E-02 0.139E-02
RMM: 34 -0.107735424871E+04 -0.88933E-04 -0.96335E-04 1433 0.160E-02
313 T= 658. E= -.10763126E+04 F= -.10773542E+04 E0= -.10773103E+04 EK= 0.13191E+02 SP= -.12E+02 SK= 0.29E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107727646768E+04 0.77692E-01 -0.12859E+00 3415 0.118E+00 0.354E-01
RMM: 2 -0.107728192194E+04 -0.54543E-02 -0.94005E-02 4220 0.342E-01 0.263E-01
RMM: 3 -0.107728274628E+04 -0.82434E-03 -0.19383E-02 4219 0.122E-01 0.206E-01
RMM: 4 -0.107728283055E+04 -0.84274E-04 -0.73119E-03 3641 0.564E-02 0.113E-01
RMM: 5 -0.107728307115E+04 -0.24060E-03 -0.47252E-03 3220 0.342E-02 0.602E-02
RMM: 6 -0.107728322391E+04 -0.15276E-03 -0.28122E-03 2655 0.188E-02 0.412E-02
RMM: 7 -0.107728344406E+04 -0.22015E-03 -0.26519E-03 2183 0.133E-02 0.249E-02
RMM: 8 -0.107728368093E+04 -0.23687E-03 -0.24588E-03 2121 0.123E-02 0.888E-03
RMM: 9 -0.107728391795E+04 -0.23701E-03 -0.24216E-03 1861 0.926E-03 0.568E-03
RMM: 10 -0.107728414603E+04 -0.22808E-03 -0.23089E-03 1923 0.114E-02 0.466E-03
RMM: 11 -0.107728437901E+04 -0.23298E-03 -0.23798E-03 2022 0.128E-02 0.233E-03
RMM: 12 -0.107728459865E+04 -0.21964E-03 -0.22521E-03 1817 0.122E-02 0.214E-03
RMM: 13 -0.107728481879E+04 -0.22014E-03 -0.22547E-03 1590 0.128E-02 0.344E-03
RMM: 14 -0.107728503228E+04 -0.21349E-03 -0.22012E-03 1566 0.155E-02 0.399E-03
RMM: 15 -0.107728524726E+04 -0.21499E-03 -0.22207E-03 1593 0.163E-02 0.467E-03
RMM: 16 -0.107728545439E+04 -0.20713E-03 -0.21421E-03 1582 0.160E-02 0.506E-03
RMM: 17 -0.107728565950E+04 -0.20511E-03 -0.21131E-03 1509 0.151E-02 0.546E-03
RMM: 18 -0.107728585917E+04 -0.19967E-03 -0.20760E-03 1615 0.169E-02 0.554E-03
RMM: 19 -0.107728605822E+04 -0.19905E-03 -0.20685E-03 1592 0.163E-02 0.576E-03
RMM: 20 -0.107728624916E+04 -0.19094E-03 -0.19782E-03 1511 0.153E-02 0.637E-03
RMM: 21 -0.107728643988E+04 -0.19073E-03 -0.19817E-03 1562 0.164E-02 0.725E-03
RMM: 22 -0.107728662435E+04 -0.18446E-03 -0.19218E-03 1551 0.159E-02 0.766E-03
RMM: 23 -0.107728680573E+04 -0.18139E-03 -0.18840E-03 1500 0.155E-02 0.846E-03
RMM: 24 -0.107728698179E+04 -0.17606E-03 -0.18395E-03 1526 0.161E-02 0.911E-03
RMM: 25 -0.107728715657E+04 -0.17478E-03 -0.18237E-03 1554 0.164E-02 0.980E-03
RMM: 26 -0.107728732488E+04 -0.16831E-03 -0.17602E-03 1510 0.160E-02 0.105E-02
RMM: 27 -0.107728749078E+04 -0.16590E-03 -0.17375E-03 1534 0.162E-02 0.112E-02
RMM: 28 -0.107728765143E+04 -0.16065E-03 -0.16769E-03 1487 0.157E-02 0.119E-02
RMM: 29 -0.107728780959E+04 -0.15816E-03 -0.16637E-03 1524 0.165E-02 0.125E-02
RMM: 30 -0.107728796230E+04 -0.15271E-03 -0.16083E-03 1480 0.164E-02 0.131E-02
RMM: 31 -0.107728811284E+04 -0.15053E-03 -0.15962E-03 1548 0.172E-02 0.137E-02
RMM: 32 -0.107728825974E+04 -0.14690E-03 -0.15558E-03 1514 0.166E-02 0.143E-02
RMM: 33 -0.107728840268E+04 -0.14294E-03 -0.15228E-03 1446 0.161E-02 0.149E-02
RMM: 34 -0.107728854565E+04 -0.14298E-03 -0.15554E-03 1548 0.175E-02 0.154E-02
RMM: 35 -0.107728868828E+04 -0.14263E-03 -0.15964E-03 1486 0.163E-02 0.160E-02
RMM: 36 -0.107728880529E+04 -0.11701E-03 -0.14497E-03 1457 0.160E-02 0.166E-02
RMM: 37 -0.107728893364E+04 -0.12835E-03 -0.13646E-03 1471 0.163E-02 0.171E-02
RMM: 38 -0.107728905969E+04 -0.12605E-03 -0.13572E-03 1520 0.171E-02 0.176E-02
RMM: 39 -0.107728918314E+04 -0.12345E-03 -0.13425E-03 1467 0.163E-02 0.181E-02
RMM: 40 -0.107728929571E+04 -0.11257E-03 -0.12690E-03 1469 0.165E-02 0.186E-02
RMM: 41 -0.107728940976E+04 -0.11405E-03 -0.12180E-03 1471 0.165E-02 0.191E-02
RMM: 42 -0.107728952143E+04 -0.11167E-03 -0.11959E-03 1474 0.165E-02 0.196E-02
RMM: 43 -0.107728962903E+04 -0.10760E-03 -0.11544E-03 1477 0.163E-02 0.200E-02
RMM: 44 -0.107728973459E+04 -0.10556E-03 -0.11371E-03 1489 0.165E-02 0.205E-02
RMM: 45 -0.107728983679E+04 -0.10220E-03 -0.10964E-03 1424 0.157E-02 0.209E-02
RMM: 46 -0.107728993603E+04 -0.99239E-04 -0.10756E-03 1454 0.163E-02 0.214E-02
RMM: 47 -0.107729003360E+04 -0.97569E-04 -0.10532E-03 1449 0.160E-02 0.218E-02
RMM: 48 -0.107729012637E+04 -0.92772E-04 -0.10090E-03 1421 0.154E-02 0.222E-02
RMM: 49 -0.107729021637E+04 -0.90000E-04 -0.97332E-04 1415 0.156E-02
314 T= 654. E= -.10763060E+04 F= -.10772902E+04 E0= -.10772458E+04 EK= 0.13102E+02 SP= -.12E+02 SK= 0.68E-03
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107704850714E+04 0.24162E+00 -0.12970E+00 3428 0.117E+00 0.331E-01
RMM: 2 -0.107705485900E+04 -0.63519E-02 -0.89227E-02 4160 0.331E-01 0.253E-01
RMM: 3 -0.107705571378E+04 -0.85477E-03 -0.18158E-02 4148 0.117E-01 0.163E-01
RMM: 4 -0.107705588004E+04 -0.16627E-03 -0.53802E-03 3504 0.540E-02 0.544E-02
RMM: 5 -0.107705607127E+04 -0.19122E-03 -0.26170E-03 3089 0.271E-02 0.431E-02
RMM: 6 -0.107705615546E+04 -0.84195E-04 -0.15319E-03 2109 0.158E-02 0.274E-02
RMM: 7 -0.107705630666E+04 -0.15120E-03 -0.16571E-03 2273 0.157E-02 0.955E-03
RMM: 8 -0.107705643239E+04 -0.12573E-03 -0.13116E-03 1924 0.102E-02 0.760E-03
RMM: 9 -0.107705655880E+04 -0.12641E-03 -0.13265E-03 1855 0.117E-02 0.589E-03
RMM: 10 -0.107705668054E+04 -0.12175E-03 -0.13174E-03 2347 0.179E-02 0.400E-03
RMM: 11 -0.107705680110E+04 -0.12055E-03 -0.12743E-03 1954 0.130E-02 0.216E-03
RMM: 12 -0.107705690916E+04 -0.10807E-03 -0.11442E-03 1965 0.139E-02 0.186E-03
RMM: 13 -0.107705701989E+04 -0.11073E-03 -0.11891E-03 1704 0.156E-02 0.257E-03
RMM: 14 -0.107705712348E+04 -0.10359E-03 -0.11154E-03 1632 0.167E-02 0.293E-03
RMM: 15 -0.107705722960E+04 -0.10612E-03 -0.11590E-03 1688 0.176E-02 0.335E-03
RMM: 16 -0.107705732770E+04 -0.98099E-04 -0.10559E-03 1565 0.152E-02 0.355E-03
RMM: 17 -0.107705742480E+04 -0.97106E-04 -0.10716E-03 1606 0.170E-02 0.381E-03
RMM: 18 -0.107705751496E+04 -0.90157E-04 -0.98261E-04 1556 0.165E-02
315 T= 643. E= -.10762801E+04 F= -.10770575E+04 E0= -.10770137E+04 EK= 0.12886E+02 SP= -.12E+02 SK= 0.38E-04
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107696312161E+04 0.94303E-01 -0.12832E+00 3427 0.115E+00 0.378E-01
RMM: 2 -0.107696868345E+04 -0.55618E-02 -0.87794E-02 4185 0.322E-01 0.281E-01
RMM: 3 -0.107696940652E+04 -0.72307E-03 -0.19921E-02 4149 0.118E-01 0.157E-01
RMM: 4 -0.107696987752E+04 -0.47100E-03 -0.67092E-03 3697 0.547E-02 0.834E-02
RMM: 5 -0.107696987805E+04 -0.53021E-06 -0.29427E-03 2885 0.265E-02 0.509E-02
RMM: 6 -0.107697004922E+04 -0.17117E-03 -0.23034E-03 2609 0.181E-02 0.200E-02
RMM: 7 -0.107697024725E+04 -0.19803E-03 -0.20613E-03 2028 0.125E-02 0.102E-02
RMM: 8 -0.107697043619E+04 -0.18895E-03 -0.19301E-03 2025 0.114E-02 0.790E-03
RMM: 9 -0.107697062388E+04 -0.18768E-03 -0.19238E-03 1967 0.122E-02 0.548E-03
RMM: 10 -0.107697080795E+04 -0.18407E-03 -0.18985E-03 2133 0.143E-02 0.229E-03
RMM: 11 -0.107697098842E+04 -0.18048E-03 -0.18505E-03 1938 0.126E-02 0.190E-03
RMM: 12 -0.107697116512E+04 -0.17669E-03 -0.18258E-03 1999 0.137E-02 0.209E-03
RMM: 13 -0.107697133746E+04 -0.17234E-03 -0.17676E-03 1621 0.125E-02 0.354E-03
RMM: 14 -0.107697150677E+04 -0.16931E-03 -0.17540E-03 1607 0.150E-02 0.362E-03
RMM: 15 -0.107697167507E+04 -0.16830E-03 -0.17552E-03 1631 0.159E-02 0.385E-03
RMM: 16 -0.107697184045E+04 -0.16538E-03 -0.17283E-03 1642 0.161E-02 0.400E-03
RMM: 17 -0.107697200284E+04 -0.16239E-03 -0.16893E-03 1540 0.154E-02 0.460E-03
RMM: 18 -0.107697216517E+04 -0.16233E-03 -0.17094E-03 1637 0.174E-02 0.558E-03
RMM: 19 -0.107697232517E+04 -0.16000E-03 -0.16838E-03 1533 0.157E-02 0.642E-03
RMM: 20 -0.107697247883E+04 -0.15366E-03 -0.16399E-03 1503 0.160E-02 0.736E-03
RMM: 21 -0.107697263379E+04 -0.15496E-03 -0.16229E-03 1542 0.162E-02 0.818E-03
RMM: 22 -0.107697278550E+04 -0.15171E-03 -0.15814E-03 1499 0.153E-02 0.910E-03
RMM: 23 -0.107697293484E+04 -0.14934E-03 -0.15624E-03 1462 0.157E-02 0.100E-02
RMM: 24 -0.107697308431E+04 -0.14947E-03 -0.15727E-03 1575 0.168E-02 0.109E-02
RMM: 25 -0.107697322873E+04 -0.14442E-03 -0.15117E-03 1437 0.152E-02 0.119E-02
RMM: 26 -0.107697337360E+04 -0.14488E-03 -0.15272E-03 1539 0.169E-02 0.128E-02
RMM: 27 -0.107697351523E+04 -0.14162E-03 -0.14918E-03 1485 0.161E-02 0.137E-02
RMM: 28 -0.107697365484E+04 -0.13961E-03 -0.14790E-03 1501 0.167E-02 0.146E-02
RMM: 29 -0.107697379257E+04 -0.13773E-03 -0.14505E-03 1516 0.167E-02 0.154E-02
RMM: 30 -0.107697393020E+04 -0.13763E-03 -0.14618E-03 1549 0.173E-02 0.163E-02
RMM: 31 -0.107697406369E+04 -0.13349E-03 -0.14076E-03 1461 0.157E-02 0.172E-02
RMM: 32 -0.107697419599E+04 -0.13230E-03 -0.14012E-03 1521 0.168E-02 0.180E-02
RMM: 33 -0.107697432779E+04 -0.13180E-03 -0.13979E-03 1537 0.169E-02 0.188E-02
RMM: 34 -0.107697445628E+04 -0.12849E-03 -0.13563E-03 1488 0.158E-02 0.197E-02
RMM: 35 -0.107697458332E+04 -0.12703E-03 -0.13389E-03 1479 0.157E-02 0.204E-02
RMM: 36 -0.107697470935E+04 -0.12603E-03 -0.13391E-03 1526 0.164E-02 0.212E-02
RMM: 37 -0.107697483240E+04 -0.12306E-03 -0.13083E-03 1430 0.154E-02 0.220E-02
RMM: 38 -0.107697495235E+04 -0.11995E-03 -0.12874E-03 1495 0.166E-02 0.228E-02
RMM: 39 -0.107697507189E+04 -0.11954E-03 -0.12716E-03 1465 0.167E-02 0.235E-02
RMM: 40 -0.107697519072E+04 -0.11883E-03 -0.12719E-03 1522 0.170E-02 0.243E-02
RMM: 41 -0.107697530600E+04 -0.11528E-03 -0.12210E-03 1442 0.156E-02 0.250E-02
RMM: 42 -0.107697542092E+04 -0.11492E-03 -0.12267E-03 1509 0.166E-02 0.257E-02
RMM: 43 -0.107697553413E+04 -0.11320E-03 -0.12057E-03 1481 0.162E-02 0.264E-02
RMM: 44 -0.107697564463E+04 -0.11051E-03 -0.11779E-03 1441 0.156E-02 0.271E-02
RMM: 45 -0.107697575452E+04 -0.10989E-03 -0.11689E-03 1491 0.158E-02 0.278E-02
RMM: 46 -0.107697586136E+04 -0.10684E-03 -0.11372E-03 1431 0.154E-02 0.285E-02
RMM: 47 -0.107697596721E+04 -0.10585E-03 -0.11331E-03 1449 0.160E-02 0.292E-02
RMM: 48 -0.107697607269E+04 -0.10548E-03 -0.11342E-03 1492 0.163E-02 0.298E-02
RMM: 49 -0.107697617502E+04 -0.10233E-03 -0.10935E-03 1441 0.153E-02 0.305E-02
RMM: 50 -0.107697627556E+04 -0.10054E-03 -0.10784E-03 1441 0.157E-02 0.311E-02
RMM: 51 -0.107697637581E+04 -0.10025E-03 -0.10772E-03 1452 0.162E-02 0.318E-02
RMM: 52 -0.107697647391E+04 -0.98103E-04 -0.10520E-03 1444 0.156E-02 0.324E-02
RMM: 53 -0.107697657060E+04 -0.96682E-04 -0.10373E-03 1448 0.154E-02 0.330E-02
RMM: 54 -0.107697666574E+04 -0.95140E-04 -0.10190E-03 1422 0.153E-02 0.336E-02
RMM: 55 -0.107697675892E+04 -0.93189E-04 -0.10028E-03 1435 0.153E-02 0.341E-02
RMM: 56 -0.107697685107E+04 -0.92148E-04 -0.99205E-04 1415 0.153E-02
316 T= 640. E= -.10762736E+04 F= -.10769769E+04 E0= -.10769332E+04 EK= 0.12830E+02 SP= -.12E+02 SK= 0.18E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107710518865E+04 -0.12843E+00 -0.97705E-01 3414 0.103E+00 0.300E-01
RMM: 2 -0.107710967468E+04 -0.44860E-02 -0.69078E-02 4184 0.289E-01 0.226E-01
RMM: 3 -0.107711052643E+04 -0.85175E-03 -0.15043E-02 4176 0.104E-01 0.166E-01
RMM: 4 -0.107711068796E+04 -0.16153E-03 -0.46075E-03 3456 0.481E-02 0.728E-02
RMM: 5 -0.107711083737E+04 -0.14941E-03 -0.26426E-03 3190 0.276E-02 0.517E-02
RMM: 6 -0.107711081787E+04 0.19501E-04 -0.13300E-03 2230 0.158E-02 0.267E-02
RMM: 7 -0.107711094896E+04 -0.13110E-03 -0.14589E-03 2344 0.149E-02 0.108E-02
RMM: 8 -0.107711105344E+04 -0.10447E-03 -0.11152E-03 1966 0.105E-02 0.681E-03
RMM: 9 -0.107711116068E+04 -0.10725E-03 -0.11265E-03 1839 0.112E-02 0.444E-03
RMM: 10 -0.107711126901E+04 -0.10833E-03 -0.11577E-03 2228 0.167E-02 0.417E-03
RMM: 11 -0.107711137266E+04 -0.10365E-03 -0.10826E-03 1824 0.111E-02 0.306E-03
RMM: 12 -0.107711147003E+04 -0.97377E-04 -0.10387E-03 1974 0.133E-02 0.177E-03
RMM: 13 -0.107711156761E+04 -0.97576E-04 -0.10386E-03 1603 0.130E-02 0.193E-03
RMM: 14 -0.107711165986E+04 -0.92245E-04 -0.99623E-04 1576 0.155E-02
317 T= 649. E= -.10762883E+04 F= -.10771117E+04 E0= -.10770684E+04 EK= 0.12997E+02 SP= -.12E+02 SK= 0.60E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107722539652E+04 -0.11383E+00 -0.96640E-01 3401 0.102E+00 0.314E-01
RMM: 2 -0.107722988426E+04 -0.44877E-02 -0.69424E-02 4183 0.281E-01 0.236E-01
RMM: 3 -0.107723097950E+04 -0.10952E-02 -0.17489E-02 4209 0.104E-01 0.195E-01
RMM: 4 -0.107723097454E+04 0.49606E-05 -0.55890E-03 3519 0.449E-02 0.116E-01
RMM: 5 -0.107723121154E+04 -0.23700E-03 -0.41875E-03 3090 0.316E-02 0.476E-02
RMM: 6 -0.107723139042E+04 -0.17888E-03 -0.26769E-03 2511 0.178E-02 0.321E-02
RMM: 7 -0.107723159743E+04 -0.20701E-03 -0.24257E-03 2007 0.119E-02 0.198E-02
RMM: 8 -0.107723182195E+04 -0.22453E-03 -0.23428E-03 2142 0.121E-02 0.759E-03
RMM: 9 -0.107723203791E+04 -0.21596E-03 -0.22056E-03 1836 0.914E-03 0.457E-03
RMM: 10 -0.107723224679E+04 -0.20888E-03 -0.21234E-03 1850 0.107E-02 0.383E-03
RMM: 11 -0.107723245190E+04 -0.20511E-03 -0.20974E-03 1887 0.119E-02 0.187E-03
RMM: 12 -0.107723265012E+04 -0.19822E-03 -0.20447E-03 1894 0.131E-02 0.155E-03
RMM: 13 -0.107723284231E+04 -0.19219E-03 -0.19801E-03 1610 0.122E-02 0.225E-03
RMM: 14 -0.107723302904E+04 -0.18673E-03 -0.19278E-03 1490 0.138E-02 0.336E-03
RMM: 15 -0.107723321208E+04 -0.18304E-03 -0.19245E-03 1519 0.161E-02 0.400E-03
RMM: 16 -0.107723339118E+04 -0.17910E-03 -0.18671E-03 1535 0.163E-02 0.483E-03
RMM: 17 -0.107723356787E+04 -0.17668E-03 -0.18413E-03 1534 0.163E-02 0.559E-03
RMM: 18 -0.107723373903E+04 -0.17117E-03 -0.17770E-03 1495 0.161E-02 0.631E-03
RMM: 19 -0.107723390929E+04 -0.17026E-03 -0.17842E-03 1542 0.172E-02 0.710E-03
RMM: 20 -0.107723407372E+04 -0.16443E-03 -0.17113E-03 1465 0.157E-02 0.782E-03
RMM: 21 -0.107723423625E+04 -0.16252E-03 -0.17048E-03 1535 0.167E-02 0.854E-03
RMM: 22 -0.107723439500E+04 -0.15875E-03 -0.16559E-03 1480 0.158E-02 0.929E-03
RMM: 23 -0.107723455214E+04 -0.15715E-03 -0.16458E-03 1535 0.164E-02 0.100E-02
RMM: 24 -0.107723470472E+04 -0.15258E-03 -0.15973E-03 1451 0.155E-02 0.107E-02
RMM: 25 -0.107723485549E+04 -0.15077E-03 -0.15848E-03 1526 0.165E-02 0.114E-02
RMM: 26 -0.107723500346E+04 -0.14797E-03 -0.15557E-03 1505 0.163E-02 0.121E-02
RMM: 27 -0.107723514885E+04 -0.14539E-03 -0.15321E-03 1505 0.165E-02 0.128E-02
RMM: 28 -0.107723529158E+04 -0.14273E-03 -0.15061E-03 1493 0.167E-02 0.134E-02
RMM: 29 -0.107723543238E+04 -0.14080E-03 -0.14856E-03 1477 0.167E-02 0.141E-02
RMM: 30 -0.107723557077E+04 -0.13839E-03 -0.14608E-03 1478 0.169E-02 0.148E-02
RMM: 31 -0.107723570739E+04 -0.13662E-03 -0.14467E-03 1535 0.171E-02 0.154E-02
RMM: 32 -0.107723584273E+04 -0.13534E-03 -0.14333E-03 1520 0.165E-02 0.161E-02
RMM: 33 -0.107723597406E+04 -0.13132E-03 -0.13825E-03 1451 0.154E-02 0.167E-02
RMM: 34 -0.107723610439E+04 -0.13034E-03 -0.13806E-03 1492 0.164E-02 0.173E-02
RMM: 35 -0.107723623288E+04 -0.12849E-03 -0.13594E-03 1496 0.163E-02 0.179E-02
RMM: 36 -0.107723635970E+04 -0.12682E-03 -0.13418E-03 1491 0.157E-02 0.185E-02
RMM: 37 -0.107723648447E+04 -0.12477E-03 -0.13164E-03 1483 0.153E-02 0.191E-02
RMM: 38 -0.107723660631E+04 -0.12184E-03 -0.12880E-03 1402 0.152E-02 0.197E-02
RMM: 39 -0.107723672786E+04 -0.12155E-03 -0.12915E-03 1487 0.163E-02 0.203E-02
RMM: 40 -0.107723684666E+04 -0.11879E-03 -0.12593E-03 1424 0.156E-02 0.209E-02
RMM: 41 -0.107723696438E+04 -0.11772E-03 -0.12527E-03 1445 0.162E-02 0.215E-02
RMM: 42 -0.107723708093E+04 -0.11655E-03 -0.12491E-03 1498 0.166E-02 0.220E-02
RMM: 43 -0.107723719601E+04 -0.11508E-03 -0.12335E-03 1471 0.160E-02 0.226E-02
RMM: 44 -0.107723731026E+04 -0.11425E-03 -0.12310E-03 1445 0.157E-02 0.232E-02
RMM: 45 -0.107723741881E+04 -0.10856E-03 -0.11911E-03 1438 0.157E-02 0.237E-02
RMM: 46 -0.107723752893E+04 -0.11011E-03 -0.11729E-03 1436 0.156E-02 0.243E-02
RMM: 47 -0.107723763737E+04 -0.10844E-03 -0.11543E-03 1413 0.152E-02 0.249E-02
RMM: 48 -0.107723774385E+04 -0.10648E-03 -0.11424E-03 1424 0.156E-02 0.254E-02
RMM: 49 -0.107723784875E+04 -0.10490E-03 -0.11232E-03 1413 0.155E-02 0.259E-02
RMM: 50 -0.107723795276E+04 -0.10401E-03 -0.11137E-03 1443 0.160E-02 0.264E-02
RMM: 51 -0.107723805610E+04 -0.10334E-03 -0.11067E-03 1445 0.158E-02 0.270E-02
RMM: 52 -0.107723815663E+04 -0.10053E-03 -0.10785E-03 1396 0.149E-02 0.274E-02
RMM: 53 -0.107723825609E+04 -0.99456E-04 -0.10711E-03 1424 0.154E-02 0.278E-02
RMM: 54 -0.107723835430E+04 -0.98210E-04 -0.10622E-03 1400 0.155E-02 0.281E-02
RMM: 55 -0.107723845059E+04 -0.96290E-04 -0.10481E-03 1464 0.155E-02 0.284E-02
RMM: 56 -0.107723854532E+04 -0.94732E-04 -0.10320E-03 1450 0.155E-02 0.286E-02
RMM: 57 -0.107723863942E+04 -0.94104E-04 -0.10248E-03 1466 0.153E-02 0.288E-02
RMM: 58 -0.107723873274E+04 -0.93314E-04 -0.99633E-04 1406 0.147E-02
318 T= 658. E= -.10763008E+04 F= -.10772387E+04 E0= -.10771944E+04 EK= 0.13184E+02 SP= -.12E+02 SK= 0.11E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107717166019E+04 0.66979E-01 -0.86905E-01 3422 0.981E-01 0.269E-01
RMM: 2 -0.107717602043E+04 -0.43602E-02 -0.60901E-02 4204 0.267E-01 0.204E-01
RMM: 3 -0.107717707932E+04 -0.10589E-02 -0.15696E-02 4181 0.980E-02 0.187E-01
RMM: 4 -0.107717683225E+04 0.24707E-03 -0.38761E-03 3527 0.409E-02 0.120E-01
RMM: 5 -0.107717707670E+04 -0.24445E-03 -0.39414E-03 3071 0.324E-02 0.458E-02
RMM: 6 -0.107717719181E+04 -0.11511E-03 -0.20046E-03 2793 0.190E-02 0.334E-02
RMM: 7 -0.107717732836E+04 -0.13655E-03 -0.18147E-03 1954 0.111E-02 0.200E-02
RMM: 8 -0.107717748511E+04 -0.15675E-03 -0.17105E-03 2241 0.127E-02 0.107E-02
RMM: 9 -0.107717763897E+04 -0.15386E-03 -0.16230E-03 1778 0.872E-03 0.527E-03
RMM: 10 -0.107717777949E+04 -0.14052E-03 -0.14499E-03 1861 0.104E-02 0.371E-03
RMM: 11 -0.107717792861E+04 -0.14912E-03 -0.15387E-03 2009 0.127E-02 0.311E-03
RMM: 12 -0.107717806285E+04 -0.13425E-03 -0.14079E-03 1856 0.127E-02 0.196E-03
RMM: 13 -0.107717819735E+04 -0.13450E-03 -0.14055E-03 1556 0.121E-02 0.200E-03
RMM: 14 -0.107717832402E+04 -0.12667E-03 -0.13481E-03 1569 0.151E-02 0.270E-03
RMM: 15 -0.107717845175E+04 -0.12773E-03 -0.13583E-03 1550 0.156E-02 0.301E-03
RMM: 16 -0.107717857221E+04 -0.12046E-03 -0.12828E-03 1574 0.166E-02 0.355E-03
RMM: 17 -0.107717869396E+04 -0.12175E-03 -0.12918E-03 1545 0.163E-02 0.424E-03
RMM: 18 -0.107717880810E+04 -0.11414E-03 -0.12132E-03 1508 0.163E-02 0.461E-03
RMM: 19 -0.107717892257E+04 -0.11447E-03 -0.12256E-03 1519 0.167E-02 0.499E-03
RMM: 20 -0.107717903016E+04 -0.10759E-03 -0.11501E-03 1495 0.165E-02 0.542E-03
RMM: 21 -0.107717913936E+04 -0.10920E-03 -0.11747E-03 1553 0.172E-02 0.595E-03
RMM: 22 -0.107717924215E+04 -0.10279E-03 -0.10973E-03 1468 0.156E-02 0.648E-03
RMM: 23 -0.107717934425E+04 -0.10210E-03 -0.10963E-03 1501 0.161E-02 0.696E-03
RMM: 24 -0.107717944144E+04 -0.97187E-04 -0.10450E-03 1458 0.160E-02 0.743E-03
RMM: 25 -0.107717953964E+04 -0.98207E-04 -0.10665E-03 1548 0.170E-02 0.788E-03
RMM: 26 -0.107717963319E+04 -0.93546E-04 -0.10148E-03 1513 0.159E-02 0.832E-03
RMM: 27 -0.107717972401E+04 -0.90824E-04 -0.98151E-04 1452 0.155E-02
319 T= 660. E= -.10763013E+04 F= -.10771797E+04 E0= -.10771344E+04 EK= 0.13218E+02 SP= -.12E+02 SK= 0.18E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107693885783E+04 0.24078E+00 -0.84880E-01 3439 0.962E-01 0.276E-01
RMM: 2 -0.107694311231E+04 -0.42545E-02 -0.62253E-02 4206 0.269E-01 0.206E-01
RMM: 3 -0.107694426957E+04 -0.11573E-02 -0.16290E-02 4181 0.993E-02 0.182E-01
RMM: 4 -0.107694413475E+04 0.13482E-03 -0.45552E-03 3549 0.425E-02 0.111E-01
RMM: 5 -0.107694437824E+04 -0.24349E-03 -0.35874E-03 3079 0.299E-02 0.406E-02
RMM: 6 -0.107694454351E+04 -0.16527E-03 -0.24361E-03 2602 0.177E-02 0.259E-02
RMM: 7 -0.107694472371E+04 -0.18020E-03 -0.21100E-03 1959 0.111E-02 0.149E-02
RMM: 8 -0.107694491977E+04 -0.19606E-03 -0.20559E-03 2125 0.122E-02 0.612E-03
RMM: 9 -0.107694511021E+04 -0.19044E-03 -0.19408E-03 1848 0.952E-03 0.421E-03
RMM: 10 -0.107694528974E+04 -0.17954E-03 -0.18322E-03 1851 0.108E-02 0.260E-03
RMM: 11 -0.107694546874E+04 -0.17899E-03 -0.18441E-03 2054 0.143E-02 0.204E-03
RMM: 12 -0.107694564106E+04 -0.17232E-03 -0.17963E-03 1915 0.143E-02 0.175E-03
RMM: 13 -0.107694580486E+04 -0.16380E-03 -0.16874E-03 1506 0.114E-02 0.208E-03
RMM: 14 -0.107694596400E+04 -0.15914E-03 -0.16634E-03 1558 0.152E-02 0.296E-03
RMM: 15 -0.107694611890E+04 -0.15489E-03 -0.16325E-03 1539 0.166E-02 0.356E-03
RMM: 16 -0.107694627315E+04 -0.15425E-03 -0.16312E-03 1657 0.179E-02 0.425E-03
RMM: 17 -0.107694642113E+04 -0.14799E-03 -0.15500E-03 1520 0.157E-02 0.496E-03
RMM: 18 -0.107694656453E+04 -0.14340E-03 -0.15048E-03 1521 0.160E-02 0.558E-03
RMM: 19 -0.107694670457E+04 -0.14004E-03 -0.14785E-03 1525 0.168E-02 0.624E-03
RMM: 20 -0.107694684065E+04 -0.13608E-03 -0.14411E-03 1532 0.168E-02 0.682E-03
RMM: 21 -0.107694697355E+04 -0.13290E-03 -0.14117E-03 1543 0.170E-02 0.740E-03
RMM: 22 -0.107694710206E+04 -0.12851E-03 -0.13585E-03 1500 0.162E-02 0.802E-03
RMM: 23 -0.107694722775E+04 -0.12569E-03 -0.13354E-03 1517 0.166E-02 0.861E-03
RMM: 24 -0.107694734980E+04 -0.12205E-03 -0.12977E-03 1522 0.166E-02 0.920E-03
RMM: 25 -0.107694747017E+04 -0.12037E-03 -0.12892E-03 1572 0.170E-02 0.974E-03
RMM: 26 -0.107694758562E+04 -0.11545E-03 -0.12342E-03 1524 0.161E-02 0.103E-02
RMM: 27 -0.107694769788E+04 -0.11226E-03 -0.11989E-03 1514 0.165E-02 0.108E-02
RMM: 28 -0.107694780753E+04 -0.10965E-03 -0.11840E-03 1540 0.177E-02 0.114E-02
RMM: 29 -0.107694791636E+04 -0.10883E-03 -0.11745E-03 1554 0.177E-02 0.119E-02
RMM: 30 -0.107694801944E+04 -0.10308E-03 -0.11049E-03 1459 0.161E-02 0.124E-02
RMM: 31 -0.107694812269E+04 -0.10326E-03 -0.11204E-03 1551 0.178E-02 0.129E-02
RMM: 32 -0.107694822226E+04 -0.99564E-04 -0.10732E-03 1475 0.166E-02 0.133E-02
RMM: 33 -0.107694832010E+04 -0.97838E-04 -0.10579E-03 1520 0.166E-02 0.138E-02
RMM: 34 -0.107694841559E+04 -0.95498E-04 -0.10289E-03 1466 0.157E-02 0.143E-02
RMM: 35 -0.107694850831E+04 -0.92716E-04 -0.10037E-03 1472 0.156E-02 0.147E-02
RMM: 36 -0.107694859871E+04 -0.90400E-04 -0.97896E-04 1438 0.156E-02
320 T= 655. E= -.10762860E+04 F= -.10769486E+04 E0= -.10769031E+04 EK= 0.13116E+02 SP= -.12E+02 SK= 0.26E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107673667157E+04 0.21184E+00 -0.90101E-01 3428 0.984E-01 0.275E-01
RMM: 2 -0.107674122707E+04 -0.45555E-02 -0.64177E-02 4194 0.275E-01 0.209E-01
RMM: 3 -0.107674209554E+04 -0.86847E-03 -0.14067E-02 4137 0.983E-02 0.149E-01
RMM: 4 -0.107674243183E+04 -0.33629E-03 -0.50848E-03 3517 0.455E-02 0.935E-02
RMM: 5 -0.107674238544E+04 0.46389E-04 -0.27286E-03 3038 0.267E-02 0.398E-02
RMM: 6 -0.107674252667E+04 -0.14123E-03 -0.18274E-03 2283 0.155E-02 0.262E-02
RMM: 7 -0.107674267417E+04 -0.14750E-03 -0.16970E-03 1998 0.116E-02 0.141E-02
RMM: 8 -0.107674282286E+04 -0.14869E-03 -0.15280E-03 2020 0.111E-02 0.457E-03
RMM: 9 -0.107674297436E+04 -0.15150E-03 -0.15379E-03 1878 0.107E-02 0.332E-03
RMM: 10 -0.107674311670E+04 -0.14234E-03 -0.14730E-03 1985 0.136E-02 0.201E-03
RMM: 11 -0.107674326132E+04 -0.14462E-03 -0.14876E-03 1947 0.128E-02 0.141E-03
RMM: 12 -0.107674339572E+04 -0.13440E-03 -0.13976E-03 1855 0.131E-02 0.143E-03
RMM: 13 -0.107674352986E+04 -0.13414E-03 -0.14026E-03 1671 0.133E-02 0.187E-03
RMM: 14 -0.107674365618E+04 -0.12632E-03 -0.13288E-03 1502 0.144E-02 0.334E-03
RMM: 15 -0.107674378579E+04 -0.12961E-03 -0.13777E-03 1628 0.165E-02 0.342E-03
RMM: 16 -0.107674390656E+04 -0.12078E-03 -0.12809E-03 1523 0.153E-02 0.408E-03
RMM: 17 -0.107674402940E+04 -0.12284E-03 -0.13029E-03 1568 0.163E-02 0.460E-03
RMM: 18 -0.107674414747E+04 -0.11807E-03 -0.12521E-03 1536 0.165E-02 0.558E-03
RMM: 19 -0.107674426518E+04 -0.11770E-03 -0.12540E-03 1529 0.160E-02 0.624E-03
RMM: 20 -0.107674437705E+04 -0.11187E-03 -0.11978E-03 1528 0.158E-02 0.698E-03
RMM: 21 -0.107674448966E+04 -0.11261E-03 -0.11999E-03 1532 0.160E-02 0.761E-03
RMM: 22 -0.107674459846E+04 -0.10879E-03 -0.11641E-03 1556 0.160E-02 0.841E-03
RMM: 23 -0.107674470556E+04 -0.10711E-03 -0.11432E-03 1473 0.154E-02 0.907E-03
RMM: 24 -0.107674480969E+04 -0.10413E-03 -0.11198E-03 1541 0.166E-02 0.988E-03
RMM: 25 -0.107674491339E+04 -0.10370E-03 -0.11150E-03 1565 0.165E-02 0.105E-02
RMM: 26 -0.107674501472E+04 -0.10134E-03 -0.10923E-03 1549 0.164E-02 0.112E-02
RMM: 27 -0.107674511332E+04 -0.98597E-04 -0.10538E-03 1459 0.154E-02 0.119E-02
RMM: 28 -0.107674521019E+04 -0.96868E-04 -0.10506E-03 1542 0.166E-02 0.125E-02
RMM: 29 -0.107674530639E+04 -0.96196E-04 -0.10389E-03 1499 0.162E-02 0.132E-02
RMM: 30 -0.107674539875E+04 -0.92369E-04 -0.99705E-04 1463 0.156E-02
321 T= 652. E= -.10762744E+04 F= -.10767454E+04 E0= -.10767008E+04 EK= 0.13059E+02 SP= -.13E+02 SK= 0.36E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107671370758E+04 0.31599E-01 -0.90363E-01 3437 0.980E-01 0.266E-01
RMM: 2 -0.107671848706E+04 -0.47795E-02 -0.65555E-02 4194 0.277E-01 0.207E-01
RMM: 3 -0.107671908185E+04 -0.59480E-03 -0.12358E-02 4000 0.982E-02 0.160E-01
RMM: 4 -0.107671921979E+04 -0.13794E-03 -0.47108E-03 3538 0.472E-02 0.100E-01
RMM: 5 -0.107671920120E+04 0.18586E-04 -0.24278E-03 3085 0.291E-02 0.465E-02
RMM: 6 -0.107671927473E+04 -0.73521E-04 -0.12846E-03 2386 0.159E-02 0.331E-02
RMM: 7 -0.107671936807E+04 -0.93346E-04 -0.11360E-03 2036 0.119E-02 0.173E-02
RMM: 8 -0.107671946285E+04 -0.94775E-04 -0.10105E-03 1998 0.108E-02 0.572E-03
RMM: 9 -0.107671955680E+04 -0.93953E-04 -0.98188E-04 1858 0.108E-02
322 T= 658. E= -.10762761E+04 F= -.10767196E+04 E0= -.10766774E+04 EK= 0.13191E+02 SP= -.13E+02 SK= 0.47E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107683456544E+04 -0.11510E+00 -0.10088E+00 3443 0.103E+00 0.296E-01
RMM: 2 -0.107683986407E+04 -0.52986E-02 -0.69751E-02 4159 0.289E-01 0.228E-01
RMM: 3 -0.107684044610E+04 -0.58203E-03 -0.13327E-02 3937 0.105E-01 0.138E-01
RMM: 4 -0.107684080848E+04 -0.36238E-03 -0.51916E-03 3482 0.509E-02 0.632E-02
RMM: 5 -0.107684083329E+04 -0.24802E-04 -0.20647E-03 3025 0.255E-02 0.457E-02
RMM: 6 -0.107684091085E+04 -0.77566E-04 -0.14120E-03 2249 0.162E-02 0.242E-02
RMM: 7 -0.107684102604E+04 -0.11518E-03 -0.12138E-03 2209 0.148E-02 0.992E-03
RMM: 8 -0.107684112821E+04 -0.10217E-03 -0.10938E-03 1898 0.993E-03 0.656E-03
RMM: 9 -0.107684121835E+04 -0.90146E-04 -0.94002E-04 1854 0.113E-02
323 T= 673. E= -.10762843E+04 F= -.10768412E+04 E0= -.10768022E+04 EK= 0.13487E+02 SP= -.13E+02 SK= 0.58E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107698411617E+04 -0.14299E+00 -0.11546E+00 3452 0.110E+00 0.322E-01
RMM: 2 -0.107698941336E+04 -0.52972E-02 -0.73439E-02 4174 0.306E-01 0.240E-01
RMM: 3 -0.107699002687E+04 -0.61351E-03 -0.14460E-02 3969 0.112E-01 0.128E-01
RMM: 4 -0.107699031142E+04 -0.28455E-03 -0.45577E-03 3585 0.506E-02 0.564E-02
RMM: 5 -0.107699043606E+04 -0.12463E-03 -0.17207E-03 2871 0.239E-02 0.423E-02
RMM: 6 -0.107699049661E+04 -0.60548E-04 -0.12604E-03 2136 0.162E-02 0.187E-02
RMM: 7 -0.107699059741E+04 -0.10081E-03 -0.11074E-03 2181 0.154E-02 0.825E-03
RMM: 8 -0.107699069943E+04 -0.10201E-03 -0.10485E-03 1937 0.104E-02 0.520E-03
RMM: 9 -0.107699078881E+04 -0.89380E-04 -0.92550E-04 1885 0.107E-02
324 T= 690. E= -.10762984E+04 F= -.10769908E+04 E0= -.10769535E+04 EK= 0.13823E+02 SP= -.13E+02 SK= 0.64E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107698119393E+04 0.95055E-02 -0.12852E+00 3406 0.116E+00 0.336E-01
RMM: 2 -0.107698682971E+04 -0.56358E-02 -0.82370E-02 4173 0.323E-01 0.258E-01
RMM: 3 -0.107698713357E+04 -0.30386E-03 -0.14647E-02 3968 0.115E-01 0.151E-01
RMM: 4 -0.107698765206E+04 -0.51849E-03 -0.59692E-03 3655 0.560E-02 0.903E-02
RMM: 5 -0.107698746362E+04 0.18844E-03 -0.18549E-03 3049 0.267E-02 0.569E-02
RMM: 6 -0.107698754779E+04 -0.84175E-04 -0.12873E-03 2615 0.184E-02 0.207E-02
RMM: 7 -0.107698763187E+04 -0.84079E-04 -0.92535E-04 1940 0.118E-02
325 T= 700. E= -.10763106E+04 F= -.10769876E+04 E0= -.10769509E+04 EK= 0.14019E+02 SP= -.13E+02 SK= 0.66E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107668132677E+04 0.30622E+00 -0.12763E+00 3404 0.117E+00 0.308E-01
RMM: 2 -0.107668789914E+04 -0.65724E-02 -0.85691E-02 4176 0.330E-01 0.237E-01
RMM: 3 -0.107668875970E+04 -0.86055E-03 -0.16602E-02 4020 0.115E-01 0.161E-01
RMM: 4 -0.107668893506E+04 -0.17537E-03 -0.58187E-03 3447 0.554E-02 0.445E-02
RMM: 5 -0.107668913375E+04 -0.19869E-03 -0.24198E-03 3185 0.273E-02 0.396E-02
RMM: 6 -0.107668925348E+04 -0.11973E-03 -0.17463E-03 2117 0.157E-02 0.277E-02
RMM: 7 -0.107668940991E+04 -0.15643E-03 -0.16551E-03 2448 0.161E-02 0.139E-02
RMM: 8 -0.107668954694E+04 -0.13703E-03 -0.15066E-03 1922 0.102E-02 0.784E-03
RMM: 9 -0.107668967616E+04 -0.12922E-03 -0.13237E-03 1869 0.101E-02 0.947E-03
RMM: 10 -0.107668981107E+04 -0.13491E-03 -0.13722E-03 1939 0.122E-02 0.788E-03
RMM: 11 -0.107668993296E+04 -0.12189E-03 -0.12962E-03 2004 0.143E-02 0.290E-03
RMM: 12 -0.107669005645E+04 -0.12349E-03 -0.12882E-03 1885 0.124E-02 0.209E-03
RMM: 13 -0.107669017036E+04 -0.11392E-03 -0.11996E-03 1759 0.137E-02 0.279E-03
RMM: 14 -0.107669028669E+04 -0.11632E-03 -0.12253E-03 1618 0.146E-02 0.312E-03
RMM: 15 -0.107669039688E+04 -0.11020E-03 -0.11803E-03 1665 0.164E-02 0.364E-03
RMM: 16 -0.107669050714E+04 -0.11025E-03 -0.11720E-03 1553 0.155E-02 0.428E-03
RMM: 17 -0.107669061174E+04 -0.10460E-03 -0.11253E-03 1624 0.165E-02 0.493E-03
RMM: 18 -0.107669071741E+04 -0.10568E-03 -0.11304E-03 1567 0.163E-02 0.553E-03
RMM: 19 -0.107669081895E+04 -0.10153E-03 -0.10903E-03 1586 0.164E-02 0.609E-03
RMM: 20 -0.107669091910E+04 -0.10016E-03 -0.10680E-03 1470 0.154E-02 0.674E-03
RMM: 21 -0.107669101597E+04 -0.96868E-04 -0.10475E-03 1578 0.166E-02 0.729E-03
RMM: 22 -0.107669111384E+04 -0.97868E-04 -0.10491E-03 1529 0.155E-02 0.793E-03
RMM: 23 -0.107669120750E+04 -0.93660E-04 -0.10093E-03 1519 0.151E-02 0.852E-03
RMM: 24 -0.107669129897E+04 -0.91466E-04 -0.98161E-04 1471 0.150E-02
326 T= 696. E= -.10762946E+04 F= -.10766913E+04 E0= -.10766539E+04 EK= 0.13953E+02 SP= -.14E+02 SK= 0.68E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107632457314E+04 0.36663E+00 -0.14701E+00 3387 0.122E+00 0.411E-01
RMM: 2 -0.107633076344E+04 -0.61903E-02 -0.95487E-02 4178 0.344E-01 0.300E-01
RMM: 3 -0.107633124064E+04 -0.47720E-03 -0.19470E-02 4101 0.125E-01 0.145E-01
RMM: 4 -0.107633170320E+04 -0.46256E-03 -0.53975E-03 3828 0.581E-02 0.911E-02
RMM: 5 -0.107633148484E+04 0.21835E-03 -0.16007E-03 2986 0.270E-02 0.571E-02
RMM: 6 -0.107633155995E+04 -0.75107E-04 -0.11931E-03 2767 0.197E-02 0.228E-02
RMM: 7 -0.107633161284E+04 -0.52886E-04 -0.82724E-04 2054 0.133E-02
327 T= 691. E= -.10762644E+04 F= -.10763316E+04 E0= -.10762915E+04 EK= 0.13839E+02 SP= -.14E+02 SK= 0.71E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107628882050E+04 0.42739E-01 -0.12002E+00 3471 0.113E+00 0.362E-01
RMM: 2 -0.107629422056E+04 -0.54001E-02 -0.82925E-02 4181 0.316E-01 0.269E-01
RMM: 3 -0.107629503927E+04 -0.81871E-03 -0.19943E-02 4205 0.119E-01 0.155E-01
RMM: 4 -0.107629535314E+04 -0.31387E-03 -0.61639E-03 3676 0.532E-02 0.615E-02
RMM: 5 -0.107629564094E+04 -0.28780E-03 -0.33381E-03 2937 0.255E-02 0.415E-02
RMM: 6 -0.107629584847E+04 -0.20753E-03 -0.25910E-03 2180 0.167E-02 0.242E-02
RMM: 7 -0.107629608146E+04 -0.23299E-03 -0.24723E-03 2159 0.153E-02 0.864E-03
RMM: 8 -0.107629630582E+04 -0.22436E-03 -0.22441E-03 1897 0.109E-02 0.602E-03
RMM: 9 -0.107629651976E+04 -0.21394E-03 -0.21564E-03 1903 0.126E-02 0.361E-03
RMM: 10 -0.107629672750E+04 -0.20774E-03 -0.21378E-03 2148 0.162E-02 0.211E-03
RMM: 11 -0.107629692176E+04 -0.19426E-03 -0.19758E-03 1856 0.120E-02 0.174E-03
RMM: 12 -0.107629711149E+04 -0.18973E-03 -0.19601E-03 2111 0.153E-02 0.195E-03
RMM: 13 -0.107629729135E+04 -0.17986E-03 -0.18512E-03 1718 0.130E-02 0.262E-03
RMM: 14 -0.107629746520E+04 -0.17385E-03 -0.17988E-03 1657 0.148E-02 0.332E-03
RMM: 15 -0.107629763217E+04 -0.16697E-03 -0.17379E-03 1566 0.156E-02 0.428E-03
RMM: 16 -0.107629779461E+04 -0.16244E-03 -0.17003E-03 1607 0.165E-02 0.489E-03
RMM: 17 -0.107629795247E+04 -0.15787E-03 -0.16489E-03 1572 0.159E-02 0.575E-03
RMM: 18 -0.107629810360E+04 -0.15113E-03 -0.15754E-03 1499 0.152E-02 0.648E-03
RMM: 19 -0.107629825096E+04 -0.14735E-03 -0.15463E-03 1540 0.162E-02 0.726E-03
RMM: 20 -0.107629839433E+04 -0.14338E-03 -0.15081E-03 1546 0.164E-02 0.799E-03
RMM: 21 -0.107629853250E+04 -0.13816E-03 -0.14485E-03 1466 0.151E-02 0.875E-03
RMM: 22 -0.107629866698E+04 -0.13448E-03 -0.14198E-03 1525 0.160E-02 0.949E-03
RMM: 23 -0.107629879694E+04 -0.12996E-03 -0.13699E-03 1469 0.158E-02 0.102E-02
RMM: 24 -0.107629892472E+04 -0.12778E-03 -0.13608E-03 1574 0.170E-02 0.109E-02
RMM: 25 -0.107629904761E+04 -0.12289E-03 -0.13012E-03 1485 0.155E-02 0.116E-02
RMM: 26 -0.107629916830E+04 -0.12069E-03 -0.12840E-03 1582 0.166E-02 0.122E-02
RMM: 27 -0.107629928555E+04 -0.11726E-03 -0.12458E-03 1482 0.158E-02 0.129E-02
RMM: 28 -0.107629939960E+04 -0.11405E-03 -0.12160E-03 1476 0.162E-02 0.135E-02
RMM: 29 -0.107629951140E+04 -0.11180E-03 -0.11960E-03 1529 0.164E-02 0.141E-02
RMM: 30 -0.107629962004E+04 -0.10864E-03 -0.11625E-03 1501 0.158E-02 0.147E-02
RMM: 31 -0.107629972575E+04 -0.10571E-03 -0.11317E-03 1522 0.157E-02 0.153E-02
RMM: 32 -0.107629982882E+04 -0.10307E-03 -0.10993E-03 1477 0.155E-02 0.158E-02
RMM: 33 -0.107629992988E+04 -0.10106E-03 -0.10838E-03 1478 0.158E-02 0.164E-02
RMM: 34 -0.107630002873E+04 -0.98855E-04 -0.10610E-03 1444 0.154E-02 0.169E-02
RMM: 35 -0.107630012417E+04 -0.95435E-04 -0.10269E-03 1459 0.152E-02 0.174E-02
RMM: 36 -0.107630021849E+04 -0.94318E-04 -0.10158E-03 1466 0.156E-02 0.179E-02
RMM: 37 -0.107630030975E+04 -0.91264E-04 -0.98511E-04 1445 0.152E-02
328 T= 700. E= -.10762777E+04 F= -.10763003E+04 E0= -.10762544E+04 EK= 0.14017E+02 SP= -.14E+02 SK= 0.73E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107647968895E+04 -0.17947E+00 -0.10101E+00 3481 0.106E+00 0.314E-01
RMM: 2 -0.107648440805E+04 -0.47191E-02 -0.68473E-02 4176 0.288E-01 0.234E-01
RMM: 3 -0.107648547712E+04 -0.10691E-02 -0.17068E-02 4243 0.108E-01 0.167E-01
RMM: 4 -0.107648573819E+04 -0.26107E-03 -0.60528E-03 3632 0.493E-02 0.985E-02
RMM: 5 -0.107648582550E+04 -0.87306E-04 -0.35793E-03 3086 0.279E-02 0.425E-02
RMM: 6 -0.107648602965E+04 -0.20416E-03 -0.24594E-03 2274 0.163E-02 0.300E-02
RMM: 7 -0.107648623027E+04 -0.20062E-03 -0.23642E-03 2056 0.129E-02 0.149E-02
RMM: 8 -0.107648642967E+04 -0.19940E-03 -0.20608E-03 2078 0.128E-02 0.532E-03
RMM: 9 -0.107648663379E+04 -0.20411E-03 -0.20762E-03 1840 0.105E-02 0.406E-03
RMM: 10 -0.107648681488E+04 -0.18110E-03 -0.18595E-03 1936 0.125E-02 0.225E-03
RMM: 11 -0.107648699917E+04 -0.18429E-03 -0.18917E-03 1877 0.121E-02 0.157E-03
RMM: 12 -0.107648716505E+04 -0.16589E-03 -0.17266E-03 1878 0.136E-02 0.166E-03
RMM: 13 -0.107648733245E+04 -0.16739E-03 -0.17352E-03 1660 0.129E-02 0.242E-03
RMM: 14 -0.107648748369E+04 -0.15124E-03 -0.15817E-03 1517 0.148E-02 0.363E-03
RMM: 15 -0.107648763783E+04 -0.15414E-03 -0.16254E-03 1548 0.162E-02 0.429E-03
RMM: 16 -0.107648778027E+04 -0.14244E-03 -0.15048E-03 1600 0.166E-02 0.523E-03
RMM: 17 -0.107648792272E+04 -0.14245E-03 -0.14908E-03 1455 0.154E-02 0.613E-03
RMM: 18 -0.107648805400E+04 -0.13129E-03 -0.13998E-03 1538 0.173E-02 0.665E-03
RMM: 19 -0.107648818737E+04 -0.13336E-03 -0.14080E-03 1501 0.163E-02 0.757E-03
RMM: 20 -0.107648831075E+04 -0.12338E-03 -0.13073E-03 1533 0.159E-02 0.827E-03
RMM: 21 -0.107648843373E+04 -0.12297E-03 -0.12985E-03 1491 0.152E-02 0.894E-03
RMM: 22 -0.107648854796E+04 -0.11423E-03 -0.12180E-03 1479 0.156E-02 0.961E-03
RMM: 23 -0.107648866296E+04 -0.11500E-03 -0.12241E-03 1482 0.158E-02 0.102E-02
RMM: 24 -0.107648876993E+04 -0.10697E-03 -0.11485E-03 1476 0.158E-02 0.108E-02
RMM: 25 -0.107648887627E+04 -0.10634E-03 -0.11518E-03 1511 0.167E-02 0.114E-02
RMM: 26 -0.107648897716E+04 -0.10089E-03 -0.10905E-03 1539 0.163E-02 0.120E-02
RMM: 27 -0.107648907652E+04 -0.99368E-04 -0.10642E-03 1449 0.154E-02 0.125E-02
RMM: 28 -0.107648917164E+04 -0.95120E-04 -0.10306E-03 1521 0.165E-02 0.130E-02
RMM: 29 -0.107648926458E+04 -0.92934E-04 -0.10040E-03 1458 0.156E-02 0.135E-02
RMM: 30 -0.107648935358E+04 -0.88998E-04 -0.96502E-04 1486 0.158E-02
329 T= 719. E= -.10763052E+04 F= -.10764894E+04 E0= -.10764425E+04 EK= 0.14407E+02 SP= -.14E+02 SK= 0.71E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107653854249E+04 -0.49278E-01 -0.10336E+00 3438 0.108E+00 0.302E-01
RMM: 2 -0.107654387973E+04 -0.53372E-02 -0.74633E-02 4181 0.301E-01 0.227E-01
RMM: 3 -0.107654498330E+04 -0.11036E-02 -0.17500E-02 4214 0.108E-01 0.180E-01
RMM: 4 -0.107654513269E+04 -0.14939E-03 -0.64928E-03 3595 0.481E-02 0.105E-01
RMM: 5 -0.107654538612E+04 -0.25343E-03 -0.46861E-03 3099 0.312E-02 0.443E-02
RMM: 6 -0.107654564222E+04 -0.25610E-03 -0.31669E-03 2461 0.174E-02 0.327E-02
RMM: 7 -0.107654590340E+04 -0.26118E-03 -0.29769E-03 2059 0.125E-02 0.196E-02
RMM: 8 -0.107654617178E+04 -0.26838E-03 -0.28088E-03 2147 0.124E-02 0.899E-03
RMM: 9 -0.107654643063E+04 -0.25885E-03 -0.26476E-03 1862 0.101E-02 0.542E-03
RMM: 10 -0.107654668008E+04 -0.24945E-03 -0.25541E-03 1948 0.120E-02 0.389E-03
RMM: 11 -0.107654692256E+04 -0.24248E-03 -0.24640E-03 1985 0.116E-02 0.274E-03
RMM: 12 -0.107654715269E+04 -0.23013E-03 -0.23648E-03 1913 0.126E-02 0.205E-03
RMM: 13 -0.107654737301E+04 -0.22031E-03 -0.22585E-03 1579 0.119E-02 0.294E-03
RMM: 14 -0.107654758515E+04 -0.21215E-03 -0.21924E-03 1572 0.149E-02 0.426E-03
RMM: 15 -0.107654779050E+04 -0.20534E-03 -0.21351E-03 1592 0.160E-02 0.501E-03
RMM: 16 -0.107654798679E+04 -0.19630E-03 -0.20260E-03 1492 0.146E-02 0.627E-03
RMM: 17 -0.107654817461E+04 -0.18782E-03 -0.19473E-03 1489 0.152E-02 0.703E-03
RMM: 18 -0.107654835504E+04 -0.18043E-03 -0.18774E-03 1488 0.161E-02 0.810E-03
RMM: 19 -0.107654852943E+04 -0.17439E-03 -0.18231E-03 1526 0.164E-02 0.893E-03
RMM: 20 -0.107654869440E+04 -0.16497E-03 -0.17267E-03 1428 0.153E-02 0.986E-03
RMM: 21 -0.107654885456E+04 -0.16016E-03 -0.17013E-03 1573 0.173E-02 0.106E-02
RMM: 22 -0.107654900660E+04 -0.15204E-03 -0.15922E-03 1428 0.151E-02 0.115E-02
RMM: 23 -0.107654915323E+04 -0.14663E-03 -0.15508E-03 1521 0.166E-02 0.123E-02
RMM: 24 -0.107654929364E+04 -0.14042E-03 -0.14852E-03 1495 0.159E-02 0.130E-02
RMM: 25 -0.107654942830E+04 -0.13466E-03 -0.14243E-03 1490 0.160E-02 0.137E-02
RMM: 26 -0.107654955723E+04 -0.12893E-03 -0.13616E-03 1464 0.157E-02 0.145E-02
RMM: 27 -0.107654968102E+04 -0.12379E-03 -0.13168E-03 1503 0.164E-02 0.151E-02
RMM: 28 -0.107654980018E+04 -0.11915E-03 -0.12654E-03 1426 0.157E-02 0.158E-02
RMM: 29 -0.107654991302E+04 -0.11285E-03 -0.12066E-03 1434 0.160E-02 0.164E-02
RMM: 30 -0.107655002385E+04 -0.11083E-03 -0.11911E-03 1504 0.169E-02 0.170E-02
RMM: 31 -0.107655012963E+04 -0.10578E-03 -0.11350E-03 1467 0.156E-02 0.176E-02
RMM: 32 -0.107655022941E+04 -0.99778E-04 -0.10703E-03 1423 0.149E-02 0.182E-02
RMM: 33 -0.107655032671E+04 -0.97296E-04 -0.10489E-03 1471 0.161E-02 0.188E-02
RMM: 34 -0.107655042052E+04 -0.93810E-04 -0.10145E-03 1434 0.154E-02 0.193E-02
RMM: 35 -0.107655050906E+04 -0.88545E-04 -0.96536E-04 1417 0.154E-02
330 T= 733. E= -.10763123E+04 F= -.10765505E+04 E0= -.10765030E+04 EK= 0.14687E+02 SP= -.15E+02 SK= 0.64E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107637932813E+04 0.17109E+00 -0.10788E+00 3429 0.112E+00 0.285E-01
RMM: 2 -0.107638507805E+04 -0.57499E-02 -0.77074E-02 4238 0.319E-01 0.211E-01
RMM: 3 -0.107638623305E+04 -0.11550E-02 -0.15861E-02 4204 0.111E-01 0.178E-01
RMM: 4 -0.107638616648E+04 0.66569E-04 -0.38574E-03 3718 0.472E-02 0.117E-01
RMM: 5 -0.107638622138E+04 -0.54900E-04 -0.24934E-03 3086 0.305E-02 0.410E-02
RMM: 6 -0.107638627645E+04 -0.55071E-04 -0.12840E-03 2727 0.178E-02 0.275E-02
RMM: 7 -0.107638633558E+04 -0.59129E-04 -0.97315E-04 1975 0.110E-02
331 T= 736. E= -.10762952E+04 F= -.10763863E+04 E0= -.10763389E+04 EK= 0.14753E+02 SP= -.15E+02 SK= 0.55E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107619444499E+04 0.19183E+00 -0.11396E+00 3467 0.113E+00 0.302E-01
RMM: 2 -0.107620046159E+04 -0.60166E-02 -0.80404E-02 4197 0.321E-01 0.222E-01
RMM: 3 -0.107620171917E+04 -0.12576E-02 -0.18088E-02 4253 0.115E-01 0.154E-01
RMM: 4 -0.107620217190E+04 -0.45273E-03 -0.64311E-03 3619 0.518E-02 0.762E-02
RMM: 5 -0.107620237109E+04 -0.19919E-03 -0.39221E-03 3052 0.274E-02 0.438E-02
RMM: 6 -0.107620257405E+04 -0.20296E-03 -0.29176E-03 2226 0.169E-02 0.232E-02
RMM: 7 -0.107620284140E+04 -0.26735E-03 -0.28011E-03 2202 0.160E-02 0.105E-02
RMM: 8 -0.107620310071E+04 -0.25931E-03 -0.26111E-03 1909 0.106E-02 0.640E-03
RMM: 9 -0.107620334306E+04 -0.24235E-03 -0.24517E-03 1861 0.112E-02 0.428E-03
RMM: 10 -0.107620358853E+04 -0.24547E-03 -0.25305E-03 2188 0.174E-02 0.226E-03
RMM: 11 -0.107620381921E+04 -0.23068E-03 -0.23419E-03 1942 0.133E-02 0.170E-03
RMM: 12 -0.107620405045E+04 -0.23124E-03 -0.23837E-03 2046 0.152E-02 0.191E-03
RMM: 13 -0.107620426671E+04 -0.21626E-03 -0.22152E-03 1716 0.127E-02 0.246E-03
RMM: 14 -0.107620448187E+04 -0.21516E-03 -0.22160E-03 1568 0.143E-02 0.463E-03
RMM: 15 -0.107620468757E+04 -0.20570E-03 -0.21532E-03 1607 0.163E-02 0.410E-03
RMM: 16 -0.107620489048E+04 -0.20291E-03 -0.21212E-03 1683 0.158E-02 0.351E-03
RMM: 17 -0.107620508509E+04 -0.19461E-03 -0.20203E-03 1668 0.158E-02 0.283E-03
RMM: 18 -0.107620528036E+04 -0.19527E-03 -0.20249E-03 1590 0.157E-02 0.336E-03
RMM: 19 -0.107620546724E+04 -0.18688E-03 -0.19372E-03 1521 0.148E-02 0.420E-03
RMM: 20 -0.107620565049E+04 -0.18325E-03 -0.18959E-03 1477 0.135E-02 0.500E-03
RMM: 21 -0.107620582682E+04 -0.17633E-03 -0.18281E-03 1452 0.143E-02 0.587E-03
RMM: 22 -0.107620600168E+04 -0.17486E-03 -0.18226E-03 1542 0.152E-02 0.664E-03
RMM: 23 -0.107620617000E+04 -0.16832E-03 -0.17536E-03 1488 0.148E-02 0.748E-03
RMM: 24 -0.107620633640E+04 -0.16639E-03 -0.17349E-03 1479 0.150E-02 0.832E-03
RMM: 25 -0.107620649688E+04 -0.16048E-03 -0.16793E-03 1507 0.151E-02 0.914E-03
RMM: 26 -0.107620665497E+04 -0.15809E-03 -0.16469E-03 1426 0.146E-02 0.998E-03
RMM: 27 -0.107620680692E+04 -0.15195E-03 -0.15904E-03 1464 0.152E-02 0.108E-02
RMM: 28 -0.107620695684E+04 -0.14992E-03 -0.15699E-03 1423 0.155E-02 0.116E-02
RMM: 29 -0.107620710389E+04 -0.14705E-03 -0.15495E-03 1533 0.162E-02 0.124E-02
RMM: 30 -0.107620724635E+04 -0.14246E-03 -0.14907E-03 1424 0.145E-02 0.132E-02
RMM: 31 -0.107620738579E+04 -0.13943E-03 -0.14684E-03 1499 0.156E-02 0.139E-02
RMM: 32 -0.107620752245E+04 -0.13667E-03 -0.14320E-03 1446 0.149E-02 0.147E-02
RMM: 33 -0.107620765427E+04 -0.13182E-03 -0.13871E-03 1430 0.152E-02 0.155E-02
RMM: 34 -0.107620778492E+04 -0.13064E-03 -0.13786E-03 1440 0.158E-02 0.162E-02
RMM: 35 -0.107620791173E+04 -0.12681E-03 -0.13418E-03 1448 0.158E-02 0.169E-02
RMM: 36 -0.107620803684E+04 -0.12511E-03 -0.13260E-03 1433 0.158E-02 0.176E-02
RMM: 37 -0.107620815820E+04 -0.12137E-03 -0.12838E-03 1438 0.153E-02 0.184E-02
RMM: 38 -0.107620827678E+04 -0.11858E-03 -0.12586E-03 1431 0.153E-02 0.190E-02
RMM: 39 -0.107620839396E+04 -0.11718E-03 -0.12422E-03 1418 0.154E-02 0.197E-02
RMM: 40 -0.107620850676E+04 -0.11280E-03 -0.11918E-03 1351 0.145E-02 0.204E-02
RMM: 41 -0.107620861824E+04 -0.11148E-03 -0.11878E-03 1407 0.156E-02 0.211E-02
RMM: 42 -0.107620872696E+04 -0.10872E-03 -0.11552E-03 1398 0.150E-02 0.218E-02
RMM: 43 -0.107620883325E+04 -0.10629E-03 -0.11332E-03 1412 0.151E-02 0.224E-02
RMM: 44 -0.107620893738E+04 -0.10413E-03 -0.11128E-03 1386 0.150E-02 0.230E-02
RMM: 45 -0.107620903833E+04 -0.10095E-03 -0.10782E-03 1365 0.149E-02 0.236E-02
RMM: 46 -0.107620913848E+04 -0.10014E-03 -0.10712E-03 1411 0.155E-02 0.242E-02
RMM: 47 -0.107620923615E+04 -0.97672E-04 -0.10476E-03 1386 0.150E-02 0.247E-02
RMM: 48 -0.107620933081E+04 -0.94658E-04 -0.10094E-03 1320 0.144E-02 0.253E-02
RMM: 49 -0.107620942411E+04 -0.93305E-04 -0.10086E-03 1409 0.158E-02 0.259E-02
RMM: 50 -0.107620951620E+04 -0.92084E-04 -0.99196E-04 1382 0.153E-02
332 T= 738. E= -.10762791E+04 F= -.10762095E+04 E0= -.10761625E+04 EK= 0.14788E+02 SP= -.15E+02 SK= 0.46E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107622421372E+04 -0.14790E-01 -0.10700E+00 3439 0.108E+00 0.321E-01
RMM: 2 -0.107622898579E+04 -0.47721E-02 -0.75149E-02 4167 0.302E-01 0.227E-01
RMM: 3 -0.107622987394E+04 -0.88815E-03 -0.15422E-02 4177 0.112E-01 0.180E-01
RMM: 4 -0.107622979969E+04 0.74253E-04 -0.50351E-03 3714 0.512E-02 0.116E-01
RMM: 5 -0.107622979855E+04 0.11389E-05 -0.22470E-03 3110 0.292E-02 0.480E-02
RMM: 6 -0.107622989468E+04 -0.96128E-04 -0.12265E-03 2379 0.166E-02 0.257E-02
RMM: 7 -0.107622999216E+04 -0.97479E-04 -0.99902E-04 2012 0.117E-02
333 T= 748. E= -.10762780E+04 F= -.10762300E+04 E0= -.10761843E+04 EK= 0.14989E+02 SP= -.15E+02 SK= 0.36E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107646797150E+04 -0.23808E+00 -0.12111E+00 3476 0.111E+00 0.362E-01
RMM: 2 -0.107647297530E+04 -0.50038E-02 -0.81409E-02 4163 0.308E-01 0.262E-01
RMM: 3 -0.107647405571E+04 -0.10804E-02 -0.19424E-02 4119 0.119E-01 0.205E-01
RMM: 4 -0.107647381107E+04 0.24464E-03 -0.80125E-03 3616 0.578E-02 0.111E-01
RMM: 5 -0.107647404596E+04 -0.23490E-03 -0.40092E-03 3226 0.289E-02 0.566E-02
RMM: 6 -0.107647433326E+04 -0.28730E-03 -0.30772E-03 2382 0.171E-02 0.232E-02
RMM: 7 -0.107647461493E+04 -0.28167E-03 -0.28150E-03 2012 0.121E-02 0.103E-02
RMM: 8 -0.107647487337E+04 -0.25844E-03 -0.25780E-03 1945 0.104E-02 0.621E-03
RMM: 9 -0.107647512851E+04 -0.25514E-03 -0.25496E-03 1968 0.115E-02 0.303E-03
RMM: 10 -0.107647536705E+04 -0.23854E-03 -0.24254E-03 2052 0.137E-02 0.228E-03
RMM: 11 -0.107647559824E+04 -0.23119E-03 -0.23491E-03 1849 0.120E-02 0.228E-03
RMM: 12 -0.107647581825E+04 -0.22000E-03 -0.22588E-03 1880 0.139E-02 0.309E-03
RMM: 13 -0.107647603436E+04 -0.21611E-03 -0.22125E-03 1613 0.130E-02 0.388E-03
RMM: 14 -0.107647623709E+04 -0.20273E-03 -0.20841E-03 1512 0.135E-02 0.472E-03
RMM: 15 -0.107647644053E+04 -0.20345E-03 -0.21100E-03 1622 0.162E-02 0.581E-03
RMM: 16 -0.107647663257E+04 -0.19204E-03 -0.19726E-03 1451 0.145E-02 0.713E-03
RMM: 17 -0.107647682335E+04 -0.19078E-03 -0.19900E-03 1625 0.177E-02 0.841E-03
RMM: 18 -0.107647700905E+04 -0.18570E-03 -0.19222E-03 1580 0.166E-02 0.969E-03
RMM: 19 -0.107647719143E+04 -0.18238E-03 -0.18842E-03 1578 0.152E-02 0.110E-02
RMM: 20 -0.107647736604E+04 -0.17461E-03 -0.18068E-03 1471 0.144E-02 0.117E-02
RMM: 21 -0.107647753814E+04 -0.17210E-03 -0.17862E-03 1508 0.151E-02 0.127E-02
RMM: 22 -0.107647770458E+04 -0.16644E-03 -0.17333E-03 1491 0.151E-02 0.134E-02
RMM: 23 -0.107647786947E+04 -0.16488E-03 -0.17159E-03 1498 0.154E-02 0.143E-02
RMM: 24 -0.107647803054E+04 -0.16107E-03 -0.16846E-03 1545 0.156E-02 0.150E-02
RMM: 25 -0.107647818731E+04 -0.15677E-03 -0.16347E-03 1464 0.147E-02 0.158E-02
RMM: 26 -0.107647834116E+04 -0.15385E-03 -0.16083E-03 1498 0.155E-02 0.165E-02
RMM: 27 -0.107647849254E+04 -0.15137E-03 -0.15825E-03 1470 0.155E-02 0.172E-02
RMM: 28 -0.107647864130E+04 -0.14876E-03 -0.15623E-03 1489 0.159E-02 0.179E-02
RMM: 29 -0.107647878651E+04 -0.14521E-03 -0.15256E-03 1438 0.156E-02 0.185E-02
RMM: 30 -0.107647893001E+04 -0.14351E-03 -0.15135E-03 1507 0.163E-02 0.192E-02
RMM: 31 -0.107647907159E+04 -0.14157E-03 -0.14828E-03 1470 0.153E-02 0.198E-02
RMM: 32 -0.107647921023E+04 -0.13864E-03 -0.14486E-03 1463 0.147E-02 0.204E-02
RMM: 33 -0.107647934689E+04 -0.13666E-03 -0.14284E-03 1418 0.146E-02 0.210E-02
RMM: 34 -0.107647948026E+04 -0.13336E-03 -0.13979E-03 1420 0.150E-02 0.217E-02
RMM: 35 -0.107647961369E+04 -0.13344E-03 -0.14077E-03 1454 0.160E-02 0.223E-02
RMM: 36 -0.107647974414E+04 -0.13044E-03 -0.13689E-03 1433 0.150E-02 0.229E-02
RMM: 37 -0.107647987312E+04 -0.12898E-03 -0.13560E-03 1432 0.151E-02 0.235E-02
RMM: 38 -0.107648000027E+04 -0.12716E-03 -0.13378E-03 1425 0.151E-02 0.241E-02
RMM: 39 -0.107648012589E+04 -0.12562E-03 -0.13192E-03 1421 0.150E-02 0.248E-02
RMM: 40 -0.107648024956E+04 -0.12367E-03 -0.13030E-03 1390 0.148E-02 0.253E-02
RMM: 41 -0.107648037176E+04 -0.12220E-03 -0.12881E-03 1431 0.151E-02 0.259E-02
RMM: 42 -0.107648049321E+04 -0.12145E-03 -0.12854E-03 1446 0.152E-02 0.265E-02
RMM: 43 -0.107648061113E+04 -0.11792E-03 -0.12401E-03 1359 0.141E-02 0.270E-02
RMM: 44 -0.107648072873E+04 -0.11760E-03 -0.12420E-03 1416 0.152E-02 0.276E-02
RMM: 45 -0.107648084503E+04 -0.11630E-03 -0.12300E-03 1398 0.154E-02 0.281E-02
RMM: 46 -0.107648095972E+04 -0.11470E-03 -0.12121E-03 1394 0.148E-02 0.287E-02
RMM: 47 -0.107648107424E+04 -0.11452E-03 -0.12055E-03 1392 0.148E-02 0.293E-02
RMM: 48 -0.107648118592E+04 -0.11168E-03 -0.11865E-03 1386 0.149E-02 0.298E-02
RMM: 49 -0.107648129803E+04 -0.11211E-03 -0.11895E-03 1400 0.152E-02 0.303E-02
RMM: 50 -0.107648140717E+04 -0.10914E-03 -0.11585E-03 1365 0.142E-02 0.308E-02
RMM: 51 -0.107648151536E+04 -0.10819E-03 -0.11596E-03 1379 0.149E-02 0.314E-02
RMM: 52 -0.107648162118E+04 -0.10582E-03 -0.11330E-03 1349 0.147E-02 0.317E-02
RMM: 53 -0.107648172718E+04 -0.10600E-03 -0.11380E-03 1428 0.155E-02 0.322E-02
RMM: 54 -0.107648183230E+04 -0.10512E-03 -0.11150E-03 1364 0.144E-02 0.327E-02
RMM: 55 -0.107648193524E+04 -0.10294E-03 -0.10913E-03 1351 0.142E-02 0.331E-02
RMM: 56 -0.107648203747E+04 -0.10223E-03 -0.10834E-03 1338 0.144E-02 0.336E-02
RMM: 57 -0.107648212905E+04 -0.91583E-04 -0.10752E-03 1470 0.147E-02 0.321E-02
RMM: 58 -0.107648222658E+04 -0.97526E-04 -0.10643E-03 1451 0.150E-02 0.321E-02
RMM: 59 -0.107648232524E+04 -0.98658E-04 -0.10737E-03 1486 0.151E-02 0.321E-02
RMM: 60 -0.107648242178E+04 -0.96550E-04 -0.10392E-03 1461 0.140E-02 0.322E-02
RMM: 61 -0.107648251677E+04 -0.94984E-04 -0.10185E-03 1455 0.144E-02 0.324E-02
RMM: 62 -0.107648261356E+04 -0.96793E-04 -0.10355E-03 1489 0.154E-02 0.330E-02
RMM: 63 -0.107648270713E+04 -0.93565E-04 -0.10041E-03 1461 0.146E-02 0.333E-02
RMM: 64 -0.107648279990E+04 -0.92777E-04 -0.99576E-04 1538 0.153E-02
334 T= 768. E= -.10762874E+04 F= -.10764828E+04 E0= -.10764358E+04 EK= 0.15392E+02 SP= -.15E+02 SK= 0.25E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107686798598E+04 -0.38528E+00 -0.13501E+00 3467 0.116E+00 0.401E-01
RMM: 2 -0.107687333060E+04 -0.53446E-02 -0.87007E-02 4125 0.308E-01 0.298E-01
RMM: 3 -0.107687449997E+04 -0.11694E-02 -0.20584E-02 4101 0.119E-01 0.219E-01
RMM: 4 -0.107687405646E+04 0.44351E-03 -0.72707E-03 3617 0.596E-02 0.117E-01
RMM: 5 -0.107687402900E+04 0.27457E-04 -0.25812E-03 3225 0.301E-02 0.554E-02
RMM: 6 -0.107687417564E+04 -0.14664E-03 -0.16705E-03 2500 0.175E-02 0.189E-02
RMM: 7 -0.107687431332E+04 -0.13768E-03 -0.13818E-03 2024 0.120E-02 0.935E-03
RMM: 8 -0.107687443313E+04 -0.11981E-03 -0.11947E-03 1967 0.109E-02 0.619E-03
RMM: 9 -0.107687455128E+04 -0.11816E-03 -0.11957E-03 1963 0.118E-02 0.380E-03
RMM: 10 -0.107687465884E+04 -0.10756E-03 -0.10961E-03 1969 0.125E-02 0.194E-03
RMM: 11 -0.107687475908E+04 -0.10024E-03 -0.10374E-03 1784 0.119E-02 0.143E-03
RMM: 12 -0.107687485411E+04 -0.95032E-04 -0.10129E-03 1910 0.147E-02 0.123E-03
RMM: 13 -0.107687494435E+04 -0.90233E-04 -0.96258E-04 1631 0.127E-02
335 T= 793. E= -.10763197E+04 F= -.10768749E+04 E0= -.10768261E+04 EK= 0.15879E+02 SP= -.15E+02 SK= 0.13E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107703117979E+04 -0.15633E+00 -0.12932E+00 3412 0.115E+00 0.365E-01
RMM: 2 -0.107703630274E+04 -0.51229E-02 -0.88581E-02 4192 0.309E-01 0.269E-01
RMM: 3 -0.107703757648E+04 -0.12737E-02 -0.22935E-02 4239 0.116E-01 0.221E-01
RMM: 4 -0.107703746078E+04 0.11570E-03 -0.85804E-03 3664 0.539E-02 0.125E-01
RMM: 5 -0.107703796901E+04 -0.50823E-03 -0.62631E-03 3202 0.351E-02 0.663E-02
RMM: 6 -0.107703818552E+04 -0.21651E-03 -0.41969E-03 2829 0.206E-02 0.384E-02
RMM: 7 -0.107703853981E+04 -0.35429E-03 -0.39312E-03 2136 0.138E-02 0.187E-02
RMM: 8 -0.107703889313E+04 -0.35332E-03 -0.35835E-03 2159 0.128E-02 0.817E-03
RMM: 9 -0.107703923860E+04 -0.34548E-03 -0.34884E-03 1891 0.927E-03 0.579E-03
RMM: 10 -0.107703955705E+04 -0.31845E-03 -0.32110E-03 1971 0.121E-02 0.320E-03
RMM: 11 -0.107703988164E+04 -0.32459E-03 -0.33162E-03 2213 0.171E-02 0.268E-03
RMM: 12 -0.107704018024E+04 -0.29860E-03 -0.30378E-03 1765 0.122E-02 0.272E-03
RMM: 13 -0.107704047550E+04 -0.29525E-03 -0.30139E-03 1688 0.126E-02 0.428E-03
RMM: 14 -0.107704075357E+04 -0.27808E-03 -0.28391E-03 1610 0.137E-02 0.472E-03
RMM: 15 -0.107704102718E+04 -0.27361E-03 -0.27948E-03 1551 0.144E-02 0.502E-03
RMM: 16 -0.107704128925E+04 -0.26207E-03 -0.27085E-03 1693 0.175E-02 0.555E-03
RMM: 17 -0.107704154671E+04 -0.25746E-03 -0.26466E-03 1516 0.149E-02 0.605E-03
RMM: 18 -0.107704178901E+04 -0.24230E-03 -0.24923E-03 1459 0.144E-02 0.695E-03
RMM: 19 -0.107704202915E+04 -0.24013E-03 -0.24731E-03 1508 0.157E-02 0.797E-03
RMM: 20 -0.107704225673E+04 -0.22758E-03 -0.23486E-03 1473 0.155E-02 0.883E-03
RMM: 21 -0.107704248307E+04 -0.22634E-03 -0.23414E-03 1512 0.161E-02 0.979E-03
RMM: 22 -0.107704269724E+04 -0.21417E-03 -0.22101E-03 1458 0.144E-02 0.107E-02
RMM: 23 -0.107704290637E+04 -0.20913E-03 -0.21607E-03 1433 0.147E-02 0.117E-02
RMM: 24 -0.107704310656E+04 -0.20019E-03 -0.20770E-03 1455 0.156E-02 0.125E-02
RMM: 25 -0.107704330375E+04 -0.19718E-03 -0.20541E-03 1527 0.164E-02 0.134E-02
RMM: 26 -0.107704349250E+04 -0.18875E-03 -0.19633E-03 1471 0.156E-02 0.143E-02
RMM: 27 -0.107704367678E+04 -0.18428E-03 -0.19177E-03 1490 0.157E-02 0.151E-02
RMM: 28 -0.107704385437E+04 -0.17759E-03 -0.18539E-03 1476 0.158E-02 0.159E-02
RMM: 29 -0.107704402711E+04 -0.17274E-03 -0.18002E-03 1435 0.151E-02 0.168E-02
RMM: 30 -0.107704419298E+04 -0.16587E-03 -0.17329E-03 1455 0.157E-02 0.175E-02
RMM: 31 -0.107704435599E+04 -0.16301E-03 -0.17142E-03 1492 0.164E-02 0.183E-02
RMM: 32 -0.107704451194E+04 -0.15595E-03 -0.16310E-03 1420 0.153E-02 0.190E-02
RMM: 33 -0.107704466474E+04 -0.15279E-03 -0.16050E-03 1463 0.161E-02 0.198E-02
RMM: 34 -0.107704481328E+04 -0.14855E-03 -0.15661E-03 1476 0.159E-02 0.204E-02
RMM: 35 -0.107704495547E+04 -0.14218E-03 -0.14897E-03 1386 0.146E-02 0.212E-02
RMM: 36 -0.107704509415E+04 -0.13868E-03 -0.14646E-03 1456 0.161E-02 0.218E-02
RMM: 37 -0.107704523006E+04 -0.13591E-03 -0.14335E-03 1456 0.155E-02 0.225E-02
RMM: 38 -0.107704535951E+04 -0.12946E-03 -0.13601E-03 1372 0.143E-02 0.231E-02
RMM: 39 -0.107704548636E+04 -0.12684E-03 -0.13458E-03 1446 0.155E-02 0.237E-02
RMM: 40 -0.107704560864E+04 -0.12229E-03 -0.12914E-03 1400 0.153E-02 0.243E-02
RMM: 41 -0.107704572834E+04 -0.11970E-03 -0.12706E-03 1421 0.156E-02 0.249E-02
RMM: 42 -0.107704584366E+04 -0.11532E-03 -0.12195E-03 1382 0.150E-02 0.255E-02
RMM: 43 -0.107704595716E+04 -0.11350E-03 -0.12133E-03 1423 0.156E-02 0.261E-02
RMM: 44 -0.107704606589E+04 -0.10873E-03 -0.11667E-03 1384 0.152E-02 0.266E-02
RMM: 45 -0.107704617188E+04 -0.10599E-03 -0.11316E-03 1397 0.152E-02 0.272E-02
RMM: 46 -0.107704627556E+04 -0.10368E-03 -0.11084E-03 1403 0.152E-02 0.277E-02
RMM: 47 -0.107704637629E+04 -0.10073E-03 -0.10693E-03 1370 0.147E-02 0.285E-02
RMM: 48 -0.107704647252E+04 -0.96232E-04 -0.10346E-03 1358 0.150E-02 0.288E-02
RMM: 49 -0.107704656743E+04 -0.94907E-04 -0.10286E-03 1420 0.159E-02 0.292E-02
RMM: 50 -0.107704666032E+04 -0.92890E-04 -0.10024E-03 1398 0.151E-02 0.296E-02
RMM: 51 -0.107704674995E+04 -0.89632E-04 -0.96077E-04 1370 0.140E-02
336 T= 804. E= -.10763405E+04 F= -.10770467E+04 E0= -.10769973E+04 EK= 0.16111E+02 SP= -.15E+02 SK= 0.31E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107675763900E+04 0.28902E+00 -0.16257E+00 3346 0.129E+00 0.410E-01
RMM: 2 -0.107676424442E+04 -0.66054E-02 -0.10561E-01 4191 0.349E-01 0.304E-01
RMM: 3 -0.107676525254E+04 -0.10081E-02 -0.23087E-02 4210 0.128E-01 0.218E-01
RMM: 4 -0.107676520063E+04 0.51904E-04 -0.83751E-03 3721 0.624E-02 0.116E-01
RMM: 5 -0.107676523368E+04 -0.33050E-04 -0.31810E-03 3232 0.313E-02 0.595E-02
RMM: 6 -0.107676542243E+04 -0.18875E-03 -0.22101E-03 2597 0.182E-02 0.410E-02
RMM: 7 -0.107676554138E+04 -0.11895E-03 -0.18537E-03 2112 0.139E-02 0.158E-02
RMM: 8 -0.107676569664E+04 -0.15526E-03 -0.16525E-03 2137 0.132E-02 0.819E-03
RMM: 9 -0.107676585293E+04 -0.15629E-03 -0.15877E-03 1976 0.114E-02 0.461E-03
RMM: 10 -0.107676599981E+04 -0.14688E-03 -0.15088E-03 1987 0.131E-02 0.216E-03
RMM: 11 -0.107676614245E+04 -0.14264E-03 -0.14620E-03 1882 0.114E-02 0.186E-03
RMM: 12 -0.107676627232E+04 -0.12987E-03 -0.13479E-03 1759 0.122E-02 0.187E-03
RMM: 13 -0.107676640202E+04 -0.12971E-03 -0.13733E-03 1743 0.142E-02 0.210E-03
RMM: 14 -0.107676652137E+04 -0.11935E-03 -0.12501E-03 1450 0.125E-02 0.282E-03
RMM: 15 -0.107676663825E+04 -0.11688E-03 -0.12344E-03 1485 0.148E-02 0.319E-03
RMM: 16 -0.107676675117E+04 -0.11292E-03 -0.12114E-03 1600 0.176E-02 0.319E-03
RMM: 17 -0.107676686351E+04 -0.11233E-03 -0.11983E-03 1663 0.169E-02 0.283E-03
RMM: 18 -0.107676696891E+04 -0.10541E-03 -0.11244E-03 1540 0.158E-02 0.294E-03
RMM: 19 -0.107676707087E+04 -0.10196E-03 -0.10981E-03 1515 0.165E-02 0.322E-03
RMM: 20 -0.107676717028E+04 -0.99414E-04 -0.10779E-03 1538 0.172E-02 0.364E-03
RMM: 21 -0.107676726826E+04 -0.97975E-04 -0.10585E-03 1541 0.166E-02 0.409E-03
RMM: 22 -0.107676736263E+04 -0.94374E-04 -0.10278E-03 1546 0.158E-02 0.450E-03
RMM: 23 -0.107676745397E+04 -0.91336E-04 -0.99291E-04 1468 0.149E-02
337 T= 793. E= -.10763162E+04 F= -.10767675E+04 E0= -.10767180E+04 EK= 0.15880E+02 SP= -.15E+02 SK= 0.16E-05
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107633726154E+04 0.43010E+00 -0.16783E+00 3391 0.131E+00 0.419E-01
RMM: 2 -0.107634441145E+04 -0.71499E-02 -0.10719E-01 4159 0.358E-01 0.312E-01
RMM: 3 -0.107634553296E+04 -0.11215E-02 -0.23761E-02 4180 0.132E-01 0.192E-01
RMM: 4 -0.107634587808E+04 -0.34512E-03 -0.91037E-03 3789 0.638E-02 0.117E-01
RMM: 5 -0.107634570061E+04 0.17748E-03 -0.33994E-03 3205 0.305E-02 0.631E-02
RMM: 6 -0.107634592825E+04 -0.22764E-03 -0.27143E-03 2763 0.191E-02 0.379E-02
RMM: 7 -0.107634610350E+04 -0.17525E-03 -0.22909E-03 2200 0.138E-02 0.136E-02
RMM: 8 -0.107634630445E+04 -0.20095E-03 -0.21146E-03 2019 0.117E-02 0.882E-03
RMM: 9 -0.107634649969E+04 -0.19524E-03 -0.19953E-03 1920 0.117E-02 0.571E-03
RMM: 10 -0.107634669479E+04 -0.19510E-03 -0.20318E-03 2131 0.155E-02 0.289E-03
RMM: 11 -0.107634687916E+04 -0.18436E-03 -0.18951E-03 1852 0.112E-02 0.277E-03
RMM: 12 -0.107634705433E+04 -0.17518E-03 -0.18043E-03 1750 0.113E-02 0.355E-03
RMM: 13 -0.107634722342E+04 -0.16908E-03 -0.17448E-03 1615 0.125E-02 0.379E-03
RMM: 14 -0.107634738817E+04 -0.16476E-03 -0.17193E-03 1637 0.150E-02 0.417E-03
RMM: 15 -0.107634754709E+04 -0.15892E-03 -0.16650E-03 1578 0.149E-02 0.466E-03
RMM: 16 -0.107634769981E+04 -0.15272E-03 -0.15945E-03 1492 0.152E-02 0.514E-03
RMM: 17 -0.107634784802E+04 -0.14821E-03 -0.15675E-03 1546 0.174E-02 0.570E-03
RMM: 18 -0.107634799444E+04 -0.14642E-03 -0.15439E-03 1563 0.174E-02 0.646E-03
RMM: 19 -0.107634813537E+04 -0.14093E-03 -0.14822E-03 1496 0.156E-02 0.705E-03
RMM: 20 -0.107634826990E+04 -0.13453E-03 -0.14125E-03 1444 0.151E-02 0.767E-03
RMM: 21 -0.107634840091E+04 -0.13100E-03 -0.13859E-03 1466 0.165E-02 0.841E-03
RMM: 22 -0.107634853181E+04 -0.13090E-03 -0.13945E-03 1561 0.169E-02 0.907E-03
RMM: 23 -0.107634865513E+04 -0.12333E-03 -0.13014E-03 1401 0.144E-02 0.974E-03
RMM: 24 -0.107634877530E+04 -0.12016E-03 -0.12808E-03 1518 0.163E-02 0.103E-02
RMM: 25 -0.107634889380E+04 -0.11850E-03 -0.12616E-03 1481 0.166E-02 0.110E-02
RMM: 26 -0.107634900960E+04 -0.11580E-03 -0.12359E-03 1500 0.162E-02 0.115E-02
RMM: 27 -0.107634912101E+04 -0.11141E-03 -0.11819E-03 1445 0.154E-02 0.121E-02
RMM: 28 -0.107634922992E+04 -0.10890E-03 -0.11625E-03 1462 0.163E-02 0.127E-02
RMM: 29 -0.107634933717E+04 -0.10725E-03 -0.11533E-03 1499 0.164E-02 0.133E-02
RMM: 30 -0.107634944113E+04 -0.10396E-03 -0.11109E-03 1439 0.151E-02 0.139E-02
RMM: 31 -0.107634954098E+04 -0.99850E-04 -0.10634E-03 1375 0.147E-02 0.144E-02
RMM: 32 -0.107634964060E+04 -0.99616E-04 -0.10770E-03 1474 0.166E-02 0.150E-02
RMM: 33 -0.107634973656E+04 -0.95956E-04 -0.10334E-03 1422 0.154E-02 0.156E-02
RMM: 34 -0.107634983114E+04 -0.94588E-04 -0.10184E-03 1441 0.154E-02 0.162E-02
RMM: 35 -0.107634992389E+04 -0.92747E-04 -0.10001E-03 1446 0.153E-02 0.167E-02
RMM: 36 -0.107635001380E+04 -0.89908E-04 -0.96517E-04 1382 0.146E-02
338 T= 772. E= -.10762832E+04 F= -.10763500E+04 E0= -.10763008E+04 EK= 0.15470E+02 SP= -.15E+02 SK= 0.23E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107620011207E+04 0.14981E+00 -0.14644E+00 3416 0.121E+00 0.403E-01
RMM: 2 -0.107620602556E+04 -0.59135E-02 -0.91131E-02 4142 0.323E-01 0.303E-01
RMM: 3 -0.107620667078E+04 -0.64522E-03 -0.19580E-02 4053 0.118E-01 0.167E-01
RMM: 4 -0.107620740225E+04 -0.73148E-03 -0.80515E-03 3631 0.587E-02 0.108E-01
RMM: 5 -0.107620709040E+04 0.31186E-03 -0.29468E-03 3119 0.291E-02 0.621E-02
RMM: 6 -0.107620725002E+04 -0.15963E-03 -0.23230E-03 2743 0.193E-02 0.339E-02
RMM: 7 -0.107620741948E+04 -0.16946E-03 -0.19327E-03 2335 0.141E-02 0.169E-02
RMM: 8 -0.107620756903E+04 -0.14955E-03 -0.16933E-03 1983 0.107E-02 0.962E-03
RMM: 9 -0.107620772992E+04 -0.16088E-03 -0.16634E-03 2040 0.119E-02 0.787E-03
RMM: 10 -0.107620788836E+04 -0.15845E-03 -0.16448E-03 2054 0.132E-02 0.449E-03
RMM: 11 -0.107620803639E+04 -0.14803E-03 -0.15170E-03 1747 0.906E-03 0.273E-03
RMM: 12 -0.107620817869E+04 -0.14230E-03 -0.14774E-03 1801 0.119E-02 0.277E-03
RMM: 13 -0.107620831750E+04 -0.13881E-03 -0.14485E-03 1649 0.129E-02 0.328E-03
RMM: 14 -0.107620845276E+04 -0.13525E-03 -0.14192E-03 1618 0.143E-02 0.365E-03
RMM: 15 -0.107620858384E+04 -0.13109E-03 -0.13852E-03 1606 0.151E-02 0.360E-03
RMM: 16 -0.107620871013E+04 -0.12628E-03 -0.13379E-03 1550 0.160E-02 0.420E-03
RMM: 17 -0.107620883400E+04 -0.12387E-03 -0.13209E-03 1627 0.171E-02 0.456E-03
RMM: 18 -0.107620895612E+04 -0.12212E-03 -0.13058E-03 1593 0.171E-02 0.496E-03
RMM: 19 -0.107620907558E+04 -0.11945E-03 -0.12757E-03 1505 0.156E-02 0.551E-03
RMM: 20 -0.107620918889E+04 -0.11331E-03 -0.12252E-03 1475 0.154E-02 0.619E-03
RMM: 21 -0.107620930036E+04 -0.11147E-03 -0.11811E-03 1459 0.152E-02 0.680E-03
RMM: 22 -0.107620941017E+04 -0.10981E-03 -0.11831E-03 1554 0.165E-02 0.738E-03
RMM: 23 -0.107620951753E+04 -0.10736E-03 -0.11440E-03 1456 0.151E-02 0.800E-03
RMM: 24 -0.107620962152E+04 -0.10400E-03 -0.11132E-03 1521 0.155E-02 0.853E-03
RMM: 25 -0.107620972368E+04 -0.10216E-03 -0.10977E-03 1460 0.159E-02 0.914E-03
RMM: 26 -0.107620982395E+04 -0.10026E-03 -0.10791E-03 1489 0.159E-02 0.975E-03
RMM: 27 -0.107620992171E+04 -0.97765E-04 -0.10491E-03 1463 0.155E-02 0.103E-02
RMM: 28 -0.107621001704E+04 -0.95325E-04 -0.10266E-03 1486 0.160E-02 0.108E-02
RMM: 29 -0.107621011160E+04 -0.94560E-04 -0.10244E-03 1487 0.162E-02 0.114E-02
RMM: 30 -0.107621020405E+04 -0.92455E-04 -0.99869E-04 1457 0.157E-02
339 T= 762. E= -.10762788E+04 F= -.10762102E+04 E0= -.10761614E+04 EK= 0.15272E+02 SP= -.15E+02 SK= 0.75E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107633955277E+04 -0.12944E+00 -0.11865E+00 3398 0.111E+00 0.345E-01
RMM: 2 -0.107634512003E+04 -0.55673E-02 -0.76262E-02 4091 0.292E-01 0.268E-01
RMM: 3 -0.107634576310E+04 -0.64307E-03 -0.15982E-02 3934 0.105E-01 0.150E-01
RMM: 4 -0.107634627417E+04 -0.51107E-03 -0.57498E-03 3475 0.507E-02 0.823E-02
RMM: 5 -0.107634614547E+04 0.12870E-03 -0.22471E-03 2970 0.252E-02 0.522E-02
RMM: 6 -0.107634623541E+04 -0.89945E-04 -0.15710E-03 2528 0.167E-02 0.258E-02
RMM: 7 -0.107634637559E+04 -0.14018E-03 -0.14697E-03 2164 0.130E-02 0.127E-02
RMM: 8 -0.107634648776E+04 -0.11217E-03 -0.12497E-03 1889 0.950E-03 0.701E-03
RMM: 9 -0.107634661051E+04 -0.12276E-03 -0.12645E-03 1850 0.108E-02 0.488E-03
RMM: 10 -0.107634673524E+04 -0.12473E-03 -0.13155E-03 2160 0.151E-02 0.328E-03
RMM: 11 -0.107634685426E+04 -0.11902E-03 -0.12247E-03 1732 0.104E-02 0.198E-03
RMM: 12 -0.107634697445E+04 -0.12020E-03 -0.12727E-03 1910 0.139E-02 0.231E-03
RMM: 13 -0.107634709045E+04 -0.11600E-03 -0.12080E-03 1537 0.117E-02 0.312E-03
RMM: 14 -0.107634720551E+04 -0.11506E-03 -0.12149E-03 1539 0.145E-02 0.335E-03
RMM: 15 -0.107634732213E+04 -0.11662E-03 -0.12425E-03 1601 0.156E-02 0.340E-03
RMM: 16 -0.107634743687E+04 -0.11474E-03 -0.12175E-03 1578 0.151E-02 0.342E-03
RMM: 17 -0.107634754815E+04 -0.11128E-03 -0.11918E-03 1518 0.154E-02 0.384E-03
RMM: 18 -0.107634766051E+04 -0.11236E-03 -0.11958E-03 1506 0.164E-02 0.441E-03
RMM: 19 -0.107634777351E+04 -0.11300E-03 -0.12003E-03 1512 0.161E-02 0.503E-03
RMM: 20 -0.107634788445E+04 -0.11094E-03 -0.11762E-03 1462 0.151E-02 0.565E-03
RMM: 21 -0.107634799440E+04 -0.10995E-03 -0.11705E-03 1471 0.155E-02 0.630E-03
RMM: 22 -0.107634810497E+04 -0.11056E-03 -0.11783E-03 1480 0.157E-02 0.694E-03
RMM: 23 -0.107634821445E+04 -0.10948E-03 -0.11647E-03 1482 0.149E-02 0.760E-03
RMM: 24 -0.107634832150E+04 -0.10705E-03 -0.11321E-03 1417 0.142E-02 0.822E-03
RMM: 25 -0.107634842893E+04 -0.10743E-03 -0.11487E-03 1470 0.160E-02 0.891E-03
RMM: 26 -0.107634853572E+04 -0.10679E-03 -0.11458E-03 1493 0.158E-02 0.948E-03
RMM: 27 -0.107634864159E+04 -0.10586E-03 -0.11292E-03 1452 0.154E-02 0.101E-02
RMM: 28 -0.107634874637E+04 -0.10479E-03 -0.11193E-03 1450 0.159E-02 0.107E-02
RMM: 29 -0.107634885211E+04 -0.10574E-03 -0.11335E-03 1499 0.163E-02 0.113E-02
RMM: 30 -0.107634895617E+04 -0.10406E-03 -0.11105E-03 1444 0.154E-02 0.119E-02
RMM: 31 -0.107634905873E+04 -0.10256E-03 -0.10975E-03 1431 0.156E-02 0.125E-02
RMM: 32 -0.107634916162E+04 -0.10289E-03 -0.11007E-03 1462 0.161E-02 0.130E-02
RMM: 33 -0.107634926375E+04 -0.10214E-03 -0.10910E-03 1454 0.157E-02 0.136E-02
RMM: 34 -0.107634936466E+04 -0.10091E-03 -0.10796E-03 1415 0.155E-02 0.142E-02
RMM: 35 -0.107634946627E+04 -0.10161E-03 -0.10883E-03 1463 0.158E-02 0.147E-02
RMM: 36 -0.107634956567E+04 -0.99401E-04 -0.10654E-03 1413 0.151E-02 0.153E-02
RMM: 37 -0.107634966525E+04 -0.99584E-04 -0.10675E-03 1428 0.154E-02 0.158E-02
RMM: 38 -0.107634976424E+04 -0.98988E-04 -0.10594E-03 1428 0.151E-02 0.164E-02
RMM: 39 -0.107634986089E+04 -0.96648E-04 -0.10294E-03 1347 0.143E-02 0.169E-02
RMM: 40 -0.107634995867E+04 -0.97785E-04 -0.10501E-03 1416 0.156E-02 0.174E-02
RMM: 41 -0.107635005512E+04 -0.96451E-04 -0.10277E-03 1358 0.146E-02 0.180E-02
RMM: 42 -0.107635015067E+04 -0.95551E-04 -0.10261E-03 1368 0.147E-02 0.185E-02
RMM: 43 -0.107635024517E+04 -0.94498E-04 -0.10175E-03 1405 0.151E-02 0.190E-02
RMM: 44 -0.107635033927E+04 -0.94102E-04 -0.10104E-03 1409 0.151E-02 0.195E-02
RMM: 45 -0.107635043303E+04 -0.93754E-04 -0.10062E-03 1377 0.147E-02 0.200E-02
RMM: 46 -0.107635052482E+04 -0.91793E-04 -0.98420E-04 1358 0.145E-02
340 T= 763. E= -.10763071E+04 F= -.10763505E+04 E0= -.10763011E+04 EK= 0.15290E+02 SP= -.15E+02 SK= 0.15E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107636250716E+04 -0.12074E-01 -0.10029E+00 3391 0.102E+00 0.301E-01
RMM: 2 -0.107636752253E+04 -0.50154E-02 -0.66689E-02 4126 0.271E-01 0.230E-01
RMM: 3 -0.107636847596E+04 -0.95343E-03 -0.14698E-02 4035 0.962E-02 0.173E-01
RMM: 4 -0.107636871032E+04 -0.23437E-03 -0.51576E-03 3411 0.458E-02 0.985E-02
RMM: 5 -0.107636872213E+04 -0.11802E-04 -0.32027E-03 3121 0.299E-02 0.471E-02
RMM: 6 -0.107636880371E+04 -0.81584E-04 -0.17340E-03 2288 0.156E-02 0.307E-02
RMM: 7 -0.107636895850E+04 -0.15479E-03 -0.17685E-03 2324 0.130E-02 0.152E-02
RMM: 8 -0.107636909975E+04 -0.14125E-03 -0.15058E-03 1964 0.104E-02 0.876E-03
RMM: 9 -0.107636924007E+04 -0.14032E-03 -0.14663E-03 1793 0.946E-03 0.507E-03
RMM: 10 -0.107636938105E+04 -0.14098E-03 -0.14634E-03 1919 0.124E-02 0.367E-03
RMM: 11 -0.107636951948E+04 -0.13843E-03 -0.14050E-03 1765 0.975E-03 0.327E-03
RMM: 12 -0.107636965246E+04 -0.13298E-03 -0.13919E-03 1782 0.122E-02 0.171E-03
RMM: 13 -0.107636978320E+04 -0.13074E-03 -0.13552E-03 1480 0.113E-02 0.168E-03
RMM: 14 -0.107636990817E+04 -0.12497E-03 -0.13128E-03 1429 0.133E-02 0.233E-03
RMM: 15 -0.107637003544E+04 -0.12727E-03 -0.13474E-03 1534 0.152E-02 0.315E-03
RMM: 16 -0.107637015822E+04 -0.12278E-03 -0.12937E-03 1455 0.146E-02 0.384E-03
RMM: 17 -0.107637027942E+04 -0.12120E-03 -0.12726E-03 1429 0.150E-02 0.457E-03
RMM: 18 -0.107637039883E+04 -0.11941E-03 -0.12642E-03 1477 0.161E-02 0.529E-03
RMM: 19 -0.107637051627E+04 -0.11744E-03 -0.12431E-03 1450 0.153E-02 0.598E-03
RMM: 20 -0.107637063053E+04 -0.11425E-03 -0.12089E-03 1410 0.146E-02 0.667E-03
RMM: 21 -0.107637074362E+04 -0.11310E-03 -0.11952E-03 1401 0.151E-02 0.744E-03
RMM: 22 -0.107637085483E+04 -0.11120E-03 -0.11857E-03 1462 0.158E-02 0.806E-03
RMM: 23 -0.107637096461E+04 -0.10979E-03 -0.11659E-03 1440 0.152E-02 0.877E-03
RMM: 24 -0.107637107104E+04 -0.10642E-03 -0.11288E-03 1442 0.146E-02 0.939E-03
RMM: 25 -0.107637117652E+04 -0.10548E-03 -0.11179E-03 1409 0.147E-02 0.100E-02
RMM: 26 -0.107637127800E+04 -0.10148E-03 -0.10792E-03 1376 0.147E-02 0.107E-02
RMM: 27 -0.107637137981E+04 -0.10181E-03 -0.10911E-03 1459 0.157E-02 0.113E-02
RMM: 28 -0.107637147940E+04 -0.99591E-04 -0.10624E-03 1420 0.151E-02 0.119E-02
RMM: 29 -0.107637157601E+04 -0.96615E-04 -0.10324E-03 1392 0.147E-02 0.125E-02
RMM: 30 -0.107637167209E+04 -0.96079E-04 -0.10301E-03 1427 0.155E-02 0.130E-02
RMM: 31 -0.107637176652E+04 -0.94425E-04 -0.10143E-03 1433 0.153E-02 0.136E-02
RMM: 32 -0.107637185836E+04 -0.91839E-04 -0.98488E-04 1397 0.145E-02
341 T= 757. E= -.10763263E+04 F= -.10763719E+04 E0= -.10763213E+04 EK= 0.15167E+02 SP= -.15E+02 SK= 0.24E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107600698566E+04 0.36478E+00 -0.10594E+00 3389 0.105E+00 0.309E-01
RMM: 2 -0.107601232509E+04 -0.53394E-02 -0.70505E-02 4134 0.281E-01 0.234E-01
RMM: 3 -0.107601347718E+04 -0.11521E-02 -0.16662E-02 4097 0.100E-01 0.175E-01
RMM: 4 -0.107601351034E+04 -0.33159E-04 -0.50287E-03 3509 0.458E-02 0.992E-02
RMM: 5 -0.107601357018E+04 -0.59844E-04 -0.29890E-03 3058 0.275E-02 0.408E-02
RMM: 6 -0.107601370491E+04 -0.13473E-03 -0.18825E-03 2340 0.155E-02 0.275E-02
RMM: 7 -0.107601385504E+04 -0.15013E-03 -0.17587E-03 2004 0.112E-02 0.146E-02
RMM: 8 -0.107601400450E+04 -0.14947E-03 -0.15990E-03 2064 0.114E-02 0.563E-03
RMM: 9 -0.107601415854E+04 -0.15404E-03 -0.15742E-03 1820 0.948E-03 0.402E-03
RMM: 10 -0.107601429913E+04 -0.14059E-03 -0.14537E-03 1853 0.113E-02 0.207E-03
RMM: 11 -0.107601444080E+04 -0.14168E-03 -0.14608E-03 1870 0.126E-02 0.160E-03
RMM: 12 -0.107601457355E+04 -0.13275E-03 -0.14009E-03 1818 0.142E-02 0.128E-03
RMM: 13 -0.107601470502E+04 -0.13146E-03 -0.13764E-03 1560 0.132E-02 0.143E-03
RMM: 14 -0.107601482753E+04 -0.12251E-03 -0.12991E-03 1506 0.147E-02 0.184E-03
RMM: 15 -0.107601495093E+04 -0.12340E-03 -0.13174E-03 1517 0.160E-02 0.289E-03
RMM: 16 -0.107601506703E+04 -0.11610E-03 -0.12365E-03 1555 0.159E-02 0.300E-03
RMM: 17 -0.107601518449E+04 -0.11746E-03 -0.12563E-03 1582 0.165E-02 0.343E-03
RMM: 18 -0.107601529412E+04 -0.10963E-03 -0.11635E-03 1467 0.150E-02 0.402E-03
RMM: 19 -0.107601540310E+04 -0.10898E-03 -0.11586E-03 1466 0.152E-02 0.461E-03
RMM: 20 -0.107601550584E+04 -0.10274E-03 -0.11033E-03 1457 0.154E-02 0.523E-03
RMM: 21 -0.107601560970E+04 -0.10386E-03 -0.11146E-03 1536 0.160E-02 0.566E-03
RMM: 22 -0.107601570728E+04 -0.97588E-04 -0.10425E-03 1443 0.143E-02 0.623E-03
RMM: 23 -0.107601580410E+04 -0.96813E-04 -0.10416E-03 1458 0.150E-02 0.679E-03
RMM: 24 -0.107601589597E+04 -0.91873E-04 -0.99044E-04 1461 0.151E-02
342 T= 732. E= -.10763128E+04 F= -.10760159E+04 E0= -.10759651E+04 EK= 0.14673E+02 SP= -.15E+02 SK= 0.33E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107543901292E+04 0.57679E+00 -0.10966E+00 3375 0.107E+00 0.310E-01
RMM: 2 -0.107544452802E+04 -0.55151E-02 -0.77669E-02 4151 0.302E-01 0.225E-01
RMM: 3 -0.107544577476E+04 -0.12467E-02 -0.16947E-02 4134 0.107E-01 0.168E-01
RMM: 4 -0.107544608876E+04 -0.31400E-03 -0.49893E-03 3577 0.474E-02 0.979E-02
RMM: 5 -0.107544612080E+04 -0.32046E-04 -0.28174E-03 3080 0.276E-02 0.439E-02
RMM: 6 -0.107544620086E+04 -0.80056E-04 -0.17898E-03 2231 0.160E-02 0.196E-02
RMM: 7 -0.107544635995E+04 -0.15909E-03 -0.16665E-03 2033 0.121E-02 0.107E-02
RMM: 8 -0.107544650694E+04 -0.14698E-03 -0.15250E-03 1922 0.966E-03 0.510E-03
RMM: 9 -0.107544665368E+04 -0.14674E-03 -0.14930E-03 1798 0.101E-02 0.303E-03
RMM: 10 -0.107544679981E+04 -0.14613E-03 -0.15190E-03 2016 0.137E-02 0.157E-03
RMM: 11 -0.107544694103E+04 -0.14122E-03 -0.14509E-03 1834 0.118E-02 0.131E-03
RMM: 12 -0.107544707898E+04 -0.13796E-03 -0.14353E-03 1735 0.128E-02 0.138E-03
RMM: 13 -0.107544721354E+04 -0.13456E-03 -0.14022E-03 1447 0.127E-02 0.178E-03
RMM: 14 -0.107544734518E+04 -0.13164E-03 -0.13850E-03 1466 0.148E-02 0.261E-03
RMM: 15 -0.107544747610E+04 -0.13093E-03 -0.13787E-03 1467 0.152E-02 0.285E-03
RMM: 16 -0.107544760522E+04 -0.12911E-03 -0.13601E-03 1494 0.153E-02 0.337E-03
RMM: 17 -0.107544773116E+04 -0.12594E-03 -0.13228E-03 1442 0.148E-02 0.385E-03
RMM: 18 -0.107544785704E+04 -0.12588E-03 -0.13262E-03 1473 0.156E-02 0.448E-03
RMM: 19 -0.107544797977E+04 -0.12273E-03 -0.12871E-03 1410 0.138E-02 0.503E-03
RMM: 20 -0.107544809947E+04 -0.11970E-03 -0.12588E-03 1407 0.139E-02 0.544E-03
RMM: 21 -0.107544821744E+04 -0.11797E-03 -0.12488E-03 1426 0.148E-02 0.605E-03
RMM: 22 -0.107544833329E+04 -0.11586E-03 -0.12311E-03 1401 0.147E-02 0.663E-03
RMM: 23 -0.107544844748E+04 -0.11419E-03 -0.12144E-03 1451 0.156E-02 0.719E-03
RMM: 24 -0.107544856042E+04 -0.11294E-03 -0.12068E-03 1469 0.162E-02 0.771E-03
RMM: 25 -0.107544867303E+04 -0.11261E-03 -0.12019E-03 1468 0.159E-02 0.818E-03
RMM: 26 -0.107544878072E+04 -0.10769E-03 -0.11424E-03 1384 0.146E-02 0.876E-03
RMM: 27 -0.107544888839E+04 -0.10767E-03 -0.11521E-03 1448 0.162E-02 0.932E-03
RMM: 28 -0.107544899588E+04 -0.10749E-03 -0.11518E-03 1483 0.160E-02 0.980E-03
RMM: 29 -0.107544909897E+04 -0.10310E-03 -0.10927E-03 1366 0.143E-02 0.104E-02
RMM: 30 -0.107544920140E+04 -0.10243E-03 -0.10962E-03 1417 0.159E-02 0.109E-02
RMM: 31 -0.107544930498E+04 -0.10358E-03 -0.11137E-03 1486 0.162E-02 0.113E-02
RMM: 32 -0.107544940378E+04 -0.98801E-04 -0.10539E-03 1381 0.138E-02 0.119E-02
RMM: 33 -0.107544950162E+04 -0.97842E-04 -0.10456E-03 1419 0.146E-02 0.123E-02
RMM: 34 -0.107544959758E+04 -0.95960E-04 -0.10293E-03 1390 0.151E-02 0.128E-02
RMM: 35 -0.107544969435E+04 -0.96771E-04 -0.10425E-03 1432 0.153E-02 0.133E-02
RMM: 36 -0.107544978630E+04 -0.91953E-04 -0.98084E-04 1341 0.138E-02
343 T= 698. E= -.10762805E+04 F= -.10754498E+04 E0= -.10753995E+04 EK= 0.13979E+02 SP= -.15E+02 SK= 0.35E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107505696577E+04 0.39273E+00 -0.11322E+00 3380 0.107E+00 0.324E-01
RMM: 2 -0.107506224530E+04 -0.52795E-02 -0.76584E-02 4095 0.301E-01 0.236E-01
RMM: 3 -0.107506297251E+04 -0.72720E-03 -0.15798E-02 3976 0.109E-01 0.133E-01
RMM: 4 -0.107506332894E+04 -0.35643E-03 -0.50434E-03 3625 0.501E-02 0.721E-02
RMM: 5 -0.107506342379E+04 -0.94855E-04 -0.24591E-03 2881 0.245E-02 0.472E-02
RMM: 6 -0.107506353559E+04 -0.11179E-03 -0.16569E-03 2263 0.165E-02 0.202E-02
RMM: 7 -0.107506369179E+04 -0.15620E-03 -0.16757E-03 2092 0.138E-02 0.934E-03
RMM: 8 -0.107506383226E+04 -0.14047E-03 -0.14406E-03 1968 0.108E-02 0.691E-03
RMM: 9 -0.107506397566E+04 -0.14340E-03 -0.14843E-03 1858 0.119E-02 0.470E-03
RMM: 10 -0.107506411369E+04 -0.13804E-03 -0.14730E-03 2170 0.164E-02 0.246E-03
RMM: 11 -0.107506425299E+04 -0.13930E-03 -0.14407E-03 1849 0.119E-02 0.200E-03
RMM: 12 -0.107506438396E+04 -0.13096E-03 -0.13754E-03 1888 0.129E-02 0.174E-03
RMM: 13 -0.107506451509E+04 -0.13113E-03 -0.13653E-03 1657 0.124E-02 0.130E-03
RMM: 14 -0.107506464192E+04 -0.12683E-03 -0.13414E-03 1642 0.152E-02 0.105E-03
RMM: 15 -0.107506476966E+04 -0.12775E-03 -0.13523E-03 1620 0.157E-02 0.809E-04
RMM: 16 -0.107506489508E+04 -0.12541E-03 -0.13300E-03 1648 0.161E-02 0.741E-04
RMM: 17 -0.107506501832E+04 -0.12324E-03 -0.12938E-03 1539 0.143E-02 0.739E-04
RMM: 18 -0.107506513892E+04 -0.12060E-03 -0.12761E-03 1505 0.152E-02 0.911E-04
RMM: 19 -0.107506525771E+04 -0.11879E-03 -0.12561E-03 1466 0.148E-02 0.146E-03
RMM: 20 -0.107506537579E+04 -0.11808E-03 -0.12540E-03 1508 0.151E-02 0.205E-03
RMM: 21 -0.107506549108E+04 -0.11529E-03 -0.12151E-03 1413 0.136E-02 0.255E-03
RMM: 22 -0.107506560343E+04 -0.11234E-03 -0.11929E-03 1435 0.143E-02 0.308E-03
RMM: 23 -0.107506571488E+04 -0.11145E-03 -0.11845E-03 1423 0.147E-02 0.362E-03
RMM: 24 -0.107506582487E+04 -0.10999E-03 -0.11772E-03 1495 0.155E-02 0.417E-03
RMM: 25 -0.107506593294E+04 -0.10807E-03 -0.11552E-03 1441 0.152E-02 0.470E-03
RMM: 26 -0.107506603939E+04 -0.10645E-03 -0.11377E-03 1458 0.155E-02 0.520E-03
RMM: 27 -0.107506614426E+04 -0.10487E-03 -0.11190E-03 1438 0.156E-02 0.573E-03
RMM: 28 -0.107506624856E+04 -0.10430E-03 -0.11216E-03 1481 0.162E-02 0.619E-03
RMM: 29 -0.107506635135E+04 -0.10279E-03 -0.10969E-03 1457 0.151E-02 0.666E-03
RMM: 30 -0.107506645179E+04 -0.10044E-03 -0.10718E-03 1407 0.148E-02 0.713E-03
RMM: 31 -0.107506655166E+04 -0.99870E-04 -0.10709E-03 1424 0.156E-02 0.760E-03
RMM: 32 -0.107506664934E+04 -0.97679E-04 -0.10545E-03 1443 0.155E-02 0.806E-03
RMM: 33 -0.107506674580E+04 -0.96458E-04 -0.10319E-03 1408 0.149E-02 0.849E-03
RMM: 34 -0.107506684037E+04 -0.94568E-04 -0.10178E-03 1416 0.155E-02 0.897E-03
RMM: 35 -0.107506693497E+04 -0.94603E-04 -0.10253E-03 1445 0.159E-02 0.942E-03
RMM: 36 -0.107506702695E+04 -0.91978E-04 -0.98943E-04 1402 0.148E-02
344 T= 672. E= -.10762628E+04 F= -.10750670E+04 E0= -.10750169E+04 EK= 0.13463E+02 SP= -.15E+02 SK= 0.31E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107508968077E+04 -0.22746E-01 -0.11203E+00 3423 0.105E+00 0.323E-01
RMM: 2 -0.107509484580E+04 -0.51650E-02 -0.75985E-02 4069 0.289E-01 0.252E-01
RMM: 3 -0.107509531821E+04 -0.47241E-03 -0.15309E-02 3879 0.104E-01 0.159E-01
RMM: 4 -0.107509578783E+04 -0.46962E-03 -0.68821E-03 3515 0.527E-02 0.969E-02
RMM: 5 -0.107509565521E+04 0.13263E-03 -0.27516E-03 3039 0.266E-02 0.554E-02
RMM: 6 -0.107509584291E+04 -0.18771E-03 -0.21124E-03 2600 0.168E-02 0.264E-02
RMM: 7 -0.107509600274E+04 -0.15982E-03 -0.18025E-03 2037 0.117E-02 0.143E-02
RMM: 8 -0.107509615455E+04 -0.15182E-03 -0.16558E-03 1924 0.103E-02 0.797E-03
RMM: 9 -0.107509631052E+04 -0.15596E-03 -0.16088E-03 1893 0.119E-02 0.570E-03
RMM: 10 -0.107509646823E+04 -0.15771E-03 -0.16577E-03 2184 0.156E-02 0.274E-03
RMM: 11 -0.107509661499E+04 -0.14676E-03 -0.15108E-03 1793 0.101E-02 0.194E-03
RMM: 12 -0.107509675512E+04 -0.14013E-03 -0.14537E-03 1800 0.117E-02 0.196E-03
RMM: 13 -0.107509689046E+04 -0.13534E-03 -0.14177E-03 1548 0.132E-02 0.220E-03
RMM: 14 -0.107509702428E+04 -0.13382E-03 -0.14165E-03 1588 0.158E-02 0.287E-03
RMM: 15 -0.107509715347E+04 -0.12920E-03 -0.13611E-03 1500 0.147E-02 0.342E-03
RMM: 16 -0.107509727871E+04 -0.12523E-03 -0.13228E-03 1510 0.151E-02 0.405E-03
RMM: 17 -0.107509739976E+04 -0.12105E-03 -0.12802E-03 1503 0.148E-02 0.430E-03
RMM: 18 -0.107509751783E+04 -0.11807E-03 -0.12568E-03 1541 0.155E-02 0.453E-03
RMM: 19 -0.107509763190E+04 -0.11407E-03 -0.12162E-03 1714 0.156E-02 0.479E-03
RMM: 20 -0.107509774462E+04 -0.11272E-03 -0.12067E-03 1817 0.161E-02 0.560E-03
RMM: 21 -0.107509785309E+04 -0.10847E-03 -0.11608E-03 1514 0.144E-02 0.574E-03
RMM: 22 -0.107509795698E+04 -0.10389E-03 -0.11071E-03 1456 0.135E-02 0.575E-03
RMM: 23 -0.107509805808E+04 -0.10110E-03 -0.10804E-03 1469 0.139E-02 0.608E-03
RMM: 24 -0.107509815730E+04 -0.99214E-04 -0.10672E-03 1519 0.143E-02 0.626E-03
RMM: 25 -0.107509825288E+04 -0.95579E-04 -0.10223E-03 1436 0.135E-02 0.654E-03
RMM: 26 -0.107509834465E+04 -0.91775E-04 -0.99245E-04 1451 0.146E-02
345 T= 666. E= -.10762759E+04 F= -.10750983E+04 E0= -.10750479E+04 EK= 0.13348E+02 SP= -.15E+02 SK= 0.24E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107538299749E+04 -0.28474E+00 -0.11343E+00 3400 0.105E+00 0.324E-01
RMM: 2 -0.107538810820E+04 -0.51107E-02 -0.74830E-02 4100 0.286E-01 0.259E-01
RMM: 3 -0.107538845674E+04 -0.34854E-03 -0.14802E-02 3865 0.101E-01 0.163E-01
RMM: 4 -0.107538895498E+04 -0.49825E-03 -0.67202E-03 3480 0.528E-02 0.937E-02
RMM: 5 -0.107538882992E+04 0.12507E-03 -0.28913E-03 3066 0.274E-02 0.577E-02
RMM: 6 -0.107538894175E+04 -0.11183E-03 -0.19460E-03 2589 0.174E-02 0.367E-02
RMM: 7 -0.107538910623E+04 -0.16447E-03 -0.17738E-03 2211 0.132E-02 0.145E-02
RMM: 8 -0.107538924310E+04 -0.13687E-03 -0.14935E-03 1913 0.992E-03 0.915E-03
RMM: 9 -0.107538938491E+04 -0.14182E-03 -0.14847E-03 1887 0.118E-02 0.737E-03
RMM: 10 -0.107538952735E+04 -0.14244E-03 -0.15050E-03 2122 0.159E-02 0.451E-03
RMM: 11 -0.107538966282E+04 -0.13547E-03 -0.13999E-03 1797 0.103E-02 0.208E-03
RMM: 12 -0.107538978800E+04 -0.12518E-03 -0.13095E-03 1807 0.124E-02 0.160E-03
RMM: 13 -0.107538991276E+04 -0.12476E-03 -0.13151E-03 1620 0.143E-02 0.155E-03
RMM: 14 -0.107539003342E+04 -0.12065E-03 -0.13016E-03 1688 0.172E-02 0.156E-03
RMM: 15 -0.107539015200E+04 -0.11858E-03 -0.12560E-03 1526 0.148E-02 0.170E-03
RMM: 16 -0.107539026332E+04 -0.11132E-03 -0.11831E-03 1508 0.151E-02 0.247E-03
RMM: 17 -0.107539037414E+04 -0.11082E-03 -0.11818E-03 1566 0.159E-02 0.225E-03
RMM: 18 -0.107539048073E+04 -0.10659E-03 -0.11424E-03 1638 0.162E-02 0.187E-03
RMM: 19 -0.107539058522E+04 -0.10448E-03 -0.11166E-03 1570 0.151E-02 0.176E-03
RMM: 20 -0.107539068431E+04 -0.99094E-04 -0.10636E-03 1509 0.151E-02 0.197E-03
RMM: 21 -0.107539078334E+04 -0.99033E-04 -0.10678E-03 1512 0.156E-02 0.231E-03
RMM: 22 -0.107539087728E+04 -0.93940E-04 -0.10111E-03 1476 0.147E-02 0.273E-03
RMM: 23 -0.107539097023E+04 -0.92949E-04 -0.10019E-03 1488 0.149E-02 0.319E-03
RMM: 24 -0.107539105932E+04 -0.89084E-04 -0.96396E-04 1504 0.149E-02
346 T= 674. E= -.10763043E+04 F= -.10753911E+04 E0= -.10753407E+04 EK= 0.13497E+02 SP= -.14E+02 SK= 0.19E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107557348869E+04 -0.18252E+00 -0.11999E+00 3396 0.110E+00 0.328E-01
RMM: 2 -0.107557893521E+04 -0.54465E-02 -0.77231E-02 4104 0.298E-01 0.258E-01
RMM: 3 -0.107557934730E+04 -0.41210E-03 -0.15061E-02 3944 0.104E-01 0.155E-01
RMM: 4 -0.107557989760E+04 -0.55030E-03 -0.61271E-03 3521 0.518E-02 0.956E-02
RMM: 5 -0.107557969779E+04 0.19981E-03 -0.26069E-03 3086 0.266E-02 0.546E-02
RMM: 6 -0.107557982991E+04 -0.13211E-03 -0.18053E-03 2486 0.168E-02 0.265E-02
RMM: 7 -0.107557997569E+04 -0.14578E-03 -0.15678E-03 1967 0.119E-02 0.963E-03
RMM: 8 -0.107558011563E+04 -0.13993E-03 -0.14548E-03 1920 0.107E-02 0.692E-03
RMM: 9 -0.107558025662E+04 -0.14099E-03 -0.14468E-03 1897 0.121E-02 0.397E-03
RMM: 10 -0.107558039992E+04 -0.14330E-03 -0.15211E-03 2179 0.163E-02 0.265E-03
RMM: 11 -0.107558053554E+04 -0.13562E-03 -0.13966E-03 1750 0.102E-02 0.196E-03
RMM: 12 -0.107558066815E+04 -0.13261E-03 -0.13827E-03 1795 0.127E-02 0.211E-03
RMM: 13 -0.107558080006E+04 -0.13191E-03 -0.13920E-03 1583 0.146E-02 0.266E-03
RMM: 14 -0.107558093275E+04 -0.13268E-03 -0.14115E-03 1621 0.162E-02 0.361E-03
RMM: 15 -0.107558106243E+04 -0.12968E-03 -0.13665E-03 1485 0.145E-02 0.418E-03
RMM: 16 -0.107558119122E+04 -0.12879E-03 -0.13621E-03 1525 0.155E-02 0.521E-03
RMM: 17 -0.107558131898E+04 -0.12775E-03 -0.13641E-03 1520 0.163E-02 0.615E-03
RMM: 18 -0.107558144653E+04 -0.12755E-03 -0.13862E-03 1520 0.169E-02 0.665E-03
RMM: 19 -0.107558157699E+04 -0.13046E-03 -0.14288E-03 1559 0.165E-02 0.793E-03
RMM: 20 -0.107558170765E+04 -0.13066E-03 -0.14889E-03 1481 0.155E-02 0.870E-03
RMM: 21 -0.107558184245E+04 -0.13480E-03 -0.16479E-03 1458 0.157E-02 0.906E-03
RMM: 22 -0.107558193448E+04 -0.92028E-04 -0.14499E-03 1503 0.172E-02 0.979E-03
RMM: 23 -0.107558205447E+04 -0.11999E-03 -0.12612E-03 1457 0.154E-02 0.110E-02
RMM: 24 -0.107558217254E+04 -0.11807E-03 -0.12624E-03 1510 0.159E-02 0.114E-02
RMM: 25 -0.107558228993E+04 -0.11738E-03 -0.12433E-03 1488 0.155E-02 0.122E-02
RMM: 26 -0.107558240426E+04 -0.11433E-03 -0.12149E-03 1431 0.154E-02 0.128E-02
RMM: 27 -0.107558252030E+04 -0.11604E-03 -0.12339E-03 1504 0.165E-02 0.137E-02
RMM: 28 -0.107558263227E+04 -0.11197E-03 -0.11896E-03 1428 0.155E-02 0.143E-02
RMM: 29 -0.107558274556E+04 -0.11330E-03 -0.12104E-03 1513 0.168E-02 0.150E-02
RMM: 30 -0.107558285692E+04 -0.11136E-03 -0.11856E-03 1470 0.158E-02 0.157E-02
RMM: 31 -0.107558296680E+04 -0.10988E-03 -0.11736E-03 1450 0.158E-02 0.164E-02
RMM: 32 -0.107558307505E+04 -0.10825E-03 -0.11619E-03 1467 0.160E-02 0.170E-02
RMM: 33 -0.107558318249E+04 -0.10744E-03 -0.11496E-03 1455 0.159E-02 0.176E-02
RMM: 34 -0.107558328935E+04 -0.10686E-03 -0.11413E-03 1453 0.157E-02 0.182E-02
RMM: 35 -0.107558339533E+04 -0.10598E-03 -0.11328E-03 1463 0.154E-02 0.188E-02
RMM: 36 -0.107558349899E+04 -0.10366E-03 -0.11039E-03 1392 0.147E-02 0.194E-02
RMM: 37 -0.107558360224E+04 -0.10324E-03 -0.10982E-03 1402 0.148E-02 0.200E-02
RMM: 38 -0.107558370236E+04 -0.10013E-03 -0.10650E-03 1365 0.148E-02 0.206E-02
RMM: 39 -0.107558380307E+04 -0.10070E-03 -0.10846E-03 1426 0.162E-02 0.212E-02
RMM: 40 -0.107558390337E+04 -0.10030E-03 -0.10750E-03 1443 0.157E-02 0.217E-02
RMM: 41 -0.107558400163E+04 -0.98262E-04 -0.10506E-03 1413 0.149E-02 0.223E-02
RMM: 42 -0.107558409985E+04 -0.98219E-04 -0.10515E-03 1407 0.150E-02 0.229E-02
RMM: 43 -0.107558419542E+04 -0.95575E-04 -0.10188E-03 1347 0.142E-02 0.234E-02
RMM: 44 -0.107558429033E+04 -0.94904E-04 -0.10144E-03 1370 0.148E-02 0.240E-02
RMM: 45 -0.107558438502E+04 -0.94691E-04 -0.10181E-03 1429 0.152E-02 0.246E-02
RMM: 46 -0.107558447745E+04 -0.92431E-04 -0.99102E-04 1362 0.145E-02
347 T= 677. E= -.10763184E+04 F= -.10755845E+04 E0= -.10755338E+04 EK= 0.13573E+02 SP= -.14E+02 SK= 0.15E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107548049969E+04 0.10389E+00 -0.13127E+00 3373 0.117E+00 0.357E-01
RMM: 2 -0.107548663122E+04 -0.61315E-02 -0.87852E-02 4170 0.325E-01 0.270E-01
RMM: 3 -0.107548763858E+04 -0.10074E-02 -0.18607E-02 4142 0.114E-01 0.192E-01
RMM: 4 -0.107548787423E+04 -0.23565E-03 -0.68851E-03 3631 0.555E-02 0.111E-01
RMM: 5 -0.107548778478E+04 0.89456E-04 -0.31901E-03 3161 0.304E-02 0.516E-02
RMM: 6 -0.107548789425E+04 -0.10947E-03 -0.19422E-03 2496 0.169E-02 0.328E-02
RMM: 7 -0.107548806360E+04 -0.16935E-03 -0.18745E-03 2236 0.138E-02 0.121E-02
RMM: 8 -0.107548821888E+04 -0.15528E-03 -0.16306E-03 1947 0.106E-02 0.760E-03
RMM: 9 -0.107548837474E+04 -0.15586E-03 -0.16034E-03 1785 0.105E-02 0.525E-03
RMM: 10 -0.107548853159E+04 -0.15685E-03 -0.16490E-03 2112 0.158E-02 0.303E-03
RMM: 11 -0.107548868514E+04 -0.15354E-03 -0.15778E-03 1869 0.112E-02 0.209E-03
RMM: 12 -0.107548883047E+04 -0.14534E-03 -0.15020E-03 1669 0.118E-02 0.175E-03
RMM: 13 -0.107548897470E+04 -0.14422E-03 -0.15102E-03 1536 0.147E-02 0.207E-03
RMM: 14 -0.107548912068E+04 -0.14599E-03 -0.15487E-03 1675 0.176E-02 0.295E-03
RMM: 15 -0.107548926369E+04 -0.14301E-03 -0.14958E-03 1483 0.142E-02 0.335E-03
RMM: 16 -0.107548940187E+04 -0.13818E-03 -0.14548E-03 1499 0.147E-02 0.399E-03
RMM: 17 -0.107548953826E+04 -0.13639E-03 -0.14338E-03 1492 0.152E-02 0.455E-03
RMM: 18 -0.107548967263E+04 -0.13437E-03 -0.14175E-03 1472 0.157E-02 0.512E-03
RMM: 19 -0.107548980613E+04 -0.13350E-03 -0.14109E-03 1522 0.154E-02 0.564E-03
RMM: 20 -0.107548993498E+04 -0.12885E-03 -0.13565E-03 1426 0.147E-02 0.614E-03
RMM: 21 -0.107549006301E+04 -0.12803E-03 -0.13512E-03 1481 0.156E-02 0.670E-03
RMM: 22 -0.107549018944E+04 -0.12642E-03 -0.13376E-03 1475 0.155E-02 0.732E-03
RMM: 23 -0.107549031314E+04 -0.12370E-03 -0.13035E-03 1456 0.146E-02 0.776E-03
RMM: 24 -0.107549043283E+04 -0.11969E-03 -0.12621E-03 1411 0.146E-02 0.842E-03
RMM: 25 -0.107549055247E+04 -0.11964E-03 -0.12786E-03 1501 0.166E-02 0.879E-03
RMM: 26 -0.107549066948E+04 -0.11702E-03 -0.12490E-03 1479 0.160E-02 0.921E-03
RMM: 27 -0.107549078433E+04 -0.11485E-03 -0.12265E-03 1460 0.158E-02 0.960E-03
RMM: 28 -0.107549089747E+04 -0.11314E-03 -0.12055E-03 1484 0.162E-02 0.102E-02
RMM: 29 -0.107549100932E+04 -0.11185E-03 -0.11958E-03 1481 0.162E-02 0.106E-02
RMM: 30 -0.107549111862E+04 -0.10930E-03 -0.11693E-03 1432 0.158E-02 0.111E-02
RMM: 31 -0.107549122559E+04 -0.10697E-03 -0.11433E-03 1435 0.158E-02 0.117E-02
RMM: 32 -0.107549133199E+04 -0.10639E-03 -0.11442E-03 1511 0.164E-02 0.120E-02
RMM: 33 -0.107549143613E+04 -0.10414E-03 -0.11136E-03 1458 0.155E-02 0.126E-02
RMM: 34 -0.107549153793E+04 -0.10181E-03 -0.10854E-03 1413 0.150E-02 0.132E-02
RMM: 35 -0.107549163830E+04 -0.10037E-03 -0.10772E-03 1431 0.155E-02 0.136E-02
RMM: 36 -0.107549173705E+04 -0.98741E-04 -0.10594E-03 1423 0.152E-02 0.141E-02
RMM: 37 -0.107549183335E+04 -0.96308E-04 -0.10352E-03 1401 0.152E-02 0.146E-02
RMM: 38 -0.107549192805E+04 -0.94694E-04 -0.10260E-03 1411 0.156E-02 0.150E-02
RMM: 39 -0.107549202131E+04 -0.93262E-04 -0.10036E-03 1402 0.155E-02 0.155E-02
RMM: 40 -0.107549211378E+04 -0.92467E-04 -0.10022E-03 1433 0.157E-02 0.160E-02
RMM: 41 -0.107549220360E+04 -0.89826E-04 -0.96722E-04 1390 0.148E-02
348 T= 669. E= -.10763100E+04 F= -.10754922E+04 E0= -.10754406E+04 EK= 0.13399E+02 SP= -.14E+02 SK= 0.11E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107526010550E+04 0.23201E+00 -0.13527E+00 3370 0.117E+00 0.384E-01
RMM: 2 -0.107526619426E+04 -0.60888E-02 -0.92977E-02 4180 0.326E-01 0.288E-01
RMM: 3 -0.107526710697E+04 -0.91271E-03 -0.20158E-02 4166 0.117E-01 0.204E-01
RMM: 4 -0.107526729234E+04 -0.18537E-03 -0.75270E-03 3621 0.581E-02 0.113E-01
RMM: 5 -0.107526715814E+04 0.13420E-03 -0.32647E-03 3204 0.321E-02 0.586E-02
RMM: 6 -0.107526721083E+04 -0.52688E-04 -0.18316E-03 2657 0.182E-02 0.376E-02
RMM: 7 -0.107526736913E+04 -0.15830E-03 -0.17514E-03 2482 0.148E-02 0.176E-02
RMM: 8 -0.107526749226E+04 -0.12314E-03 -0.13844E-03 1955 0.103E-02 0.983E-03
RMM: 9 -0.107526762101E+04 -0.12874E-03 -0.13560E-03 1833 0.104E-02 0.629E-03
RMM: 10 -0.107526775223E+04 -0.13123E-03 -0.13645E-03 2007 0.135E-02 0.543E-03
RMM: 11 -0.107526787626E+04 -0.12403E-03 -0.12765E-03 1842 0.979E-03 0.340E-03
RMM: 12 -0.107526799121E+04 -0.11495E-03 -0.12025E-03 1673 0.111E-02 0.186E-03
RMM: 13 -0.107526810394E+04 -0.11273E-03 -0.11937E-03 1584 0.136E-02 0.168E-03
RMM: 14 -0.107526821516E+04 -0.11122E-03 -0.11948E-03 1613 0.155E-02 0.212E-03
RMM: 15 -0.107526832105E+04 -0.10589E-03 -0.11238E-03 1488 0.139E-02 0.278E-03
RMM: 16 -0.107526842597E+04 -0.10492E-03 -0.11284E-03 1608 0.162E-02 0.315E-03
RMM: 17 -0.107526852575E+04 -0.99783E-04 -0.10588E-03 1446 0.147E-02 0.376E-03
RMM: 18 -0.107526862393E+04 -0.98184E-04 -0.10585E-03 1500 0.164E-02 0.411E-03
RMM: 19 -0.107526871939E+04 -0.95459E-04 -0.10285E-03 1491 0.155E-02 0.466E-03
RMM: 20 -0.107526881059E+04 -0.91194E-04 -0.97831E-04 1437 0.146E-02
349 T= 655. E= -.10762879E+04 F= -.10752688E+04 E0= -.10752172E+04 EK= 0.13125E+02 SP= -.14E+02 SK= 0.62E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107522658494E+04 0.42134E-01 -0.13166E+00 3393 0.111E+00 0.389E-01
RMM: 2 -0.107523220521E+04 -0.56203E-02 -0.86372E-02 4118 0.298E-01 0.302E-01
RMM: 3 -0.107523253901E+04 -0.33380E-03 -0.18320E-02 4034 0.109E-01 0.155E-01
RMM: 4 -0.107523315803E+04 -0.61903E-03 -0.73386E-03 3579 0.552E-02 0.995E-02
RMM: 5 -0.107523285907E+04 0.29896E-03 -0.20952E-03 2974 0.269E-02 0.632E-02
RMM: 6 -0.107523297569E+04 -0.11662E-03 -0.18749E-03 2789 0.201E-02 0.260E-02
RMM: 7 -0.107523308503E+04 -0.10934E-03 -0.12740E-03 2095 0.127E-02 0.155E-02
RMM: 8 -0.107523319072E+04 -0.10569E-03 -0.12008E-03 1967 0.107E-02 0.101E-02
RMM: 9 -0.107523330475E+04 -0.11403E-03 -0.11844E-03 1965 0.105E-02 0.851E-03
RMM: 10 -0.107523341822E+04 -0.11347E-03 -0.11761E-03 1876 0.983E-03 0.256E-03
RMM: 11 -0.107523352726E+04 -0.10904E-03 -0.11240E-03 1772 0.927E-03 0.227E-03
RMM: 12 -0.107523363563E+04 -0.10837E-03 -0.11308E-03 1789 0.111E-02 0.254E-03
RMM: 13 -0.107523374120E+04 -0.10557E-03 -0.11042E-03 1544 0.120E-02 0.342E-03
RMM: 14 -0.107523385020E+04 -0.10900E-03 -0.11613E-03 1603 0.149E-02 0.327E-03
RMM: 15 -0.107523395610E+04 -0.10590E-03 -0.11193E-03 1508 0.140E-02 0.301E-03
RMM: 16 -0.107523406198E+04 -0.10588E-03 -0.11291E-03 1599 0.154E-02 0.299E-03
RMM: 17 -0.107523416681E+04 -0.10483E-03 -0.11199E-03 1504 0.154E-02 0.319E-03
RMM: 18 -0.107523427319E+04 -0.10638E-03 -0.11440E-03 1552 0.165E-02 0.348E-03
RMM: 19 -0.107523437984E+04 -0.10665E-03 -0.11502E-03 1502 0.158E-02 0.439E-03
RMM: 20 -0.107523448238E+04 -0.10254E-03 -0.11291E-03 1465 0.153E-02 0.502E-03
RMM: 21 -0.107523458634E+04 -0.10396E-03 -0.11018E-03 1440 0.148E-02 0.577E-03
RMM: 22 -0.107523469026E+04 -0.10392E-03 -0.11037E-03 1436 0.150E-02 0.644E-03
RMM: 23 -0.107523479388E+04 -0.10362E-03 -0.11009E-03 1448 0.151E-02 0.722E-03
RMM: 24 -0.107523489641E+04 -0.10253E-03 -0.10917E-03 1431 0.151E-02 0.803E-03
RMM: 25 -0.107523499934E+04 -0.10293E-03 -0.10994E-03 1492 0.155E-02 0.885E-03
RMM: 26 -0.107523510105E+04 -0.10171E-03 -0.10825E-03 1460 0.151E-02 0.958E-03
RMM: 27 -0.107523520274E+04 -0.10170E-03 -0.10881E-03 1439 0.155E-02 0.104E-02
RMM: 28 -0.107523530358E+04 -0.10084E-03 -0.10755E-03 1454 0.154E-02 0.111E-02
RMM: 29 -0.107523540372E+04 -0.10014E-03 -0.10698E-03 1454 0.159E-02 0.119E-02
RMM: 30 -0.107523550493E+04 -0.10121E-03 -0.10862E-03 1490 0.164E-02 0.126E-02
RMM: 31 -0.107523560447E+04 -0.99541E-04 -0.10598E-03 1416 0.150E-02 0.133E-02
RMM: 32 -0.107523570380E+04 -0.99325E-04 -0.10651E-03 1443 0.157E-02 0.141E-02
RMM: 33 -0.107523580302E+04 -0.99220E-04 -0.10649E-03 1481 0.159E-02 0.148E-02
RMM: 34 -0.107523590065E+04 -0.97631E-04 -0.10468E-03 1419 0.149E-02 0.156E-02
RMM: 35 -0.107523599872E+04 -0.98072E-04 -0.10450E-03 1447 0.151E-02 0.163E-02
RMM: 36 -0.107523609456E+04 -0.95841E-04 -0.10269E-03 1403 0.152E-02 0.170E-02
RMM: 37 -0.107523619190E+04 -0.97336E-04 -0.10518E-03 1475 0.167E-02 0.177E-02
RMM: 38 -0.107523628732E+04 -0.95421E-04 -0.10213E-03 1393 0.154E-02 0.184E-02
RMM: 39 -0.107523638267E+04 -0.95348E-04 -0.10262E-03 1452 0.159E-02 0.191E-02
RMM: 40 -0.107523647830E+04 -0.95630E-04 -0.10276E-03 1444 0.158E-02 0.198E-02
RMM: 41 -0.107523657358E+04 -0.95277E-04 -0.10181E-03 1425 0.147E-02 0.205E-02
RMM: 42 -0.107523666625E+04 -0.92678E-04 -0.98419E-04 1343 0.139E-02
350 T= 651. E= -.10762778E+04 F= -.10752367E+04 E0= -.10751862E+04 EK= 0.13053E+02 SP= -.14E+02 SK= 0.24E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107548882406E+04 -0.25225E+00 -0.11489E+00 3387 0.104E+00 0.370E-01
RMM: 2 -0.107549349472E+04 -0.46707E-02 -0.74558E-02 4092 0.271E-01 0.285E-01
RMM: 3 -0.107549405201E+04 -0.55729E-03 -0.16566E-02 3962 0.985E-02 0.185E-01
RMM: 4 -0.107549438799E+04 -0.33598E-03 -0.64775E-03 3389 0.516E-02 0.894E-02
RMM: 5 -0.107549428127E+04 0.10673E-03 -0.25494E-03 3105 0.284E-02 0.578E-02
RMM: 6 -0.107549431195E+04 -0.30687E-04 -0.14996E-03 2583 0.167E-02 0.356E-02
RMM: 7 -0.107549445087E+04 -0.13891E-03 -0.14184E-03 2458 0.138E-02 0.162E-02
RMM: 8 -0.107549455018E+04 -0.99317E-04 -0.11753E-03 1943 0.978E-03 0.945E-03
RMM: 9 -0.107549465968E+04 -0.10950E-03 -0.11528E-03 1816 0.108E-02 0.647E-03
RMM: 10 -0.107549477872E+04 -0.11904E-03 -0.12386E-03 2085 0.144E-02 0.567E-03
RMM: 11 -0.107549488726E+04 -0.10855E-03 -0.11171E-03 1742 0.906E-03 0.306E-03
RMM: 12 -0.107549499402E+04 -0.10676E-03 -0.11182E-03 1738 0.125E-02 0.182E-03
RMM: 13 -0.107549510013E+04 -0.10611E-03 -0.11344E-03 1623 0.153E-02 0.186E-03
RMM: 14 -0.107549520999E+04 -0.10986E-03 -0.11781E-03 1629 0.164E-02 0.236E-03
RMM: 15 -0.107549531636E+04 -0.10637E-03 -0.11223E-03 1497 0.135E-02 0.297E-03
RMM: 16 -0.107549542144E+04 -0.10508E-03 -0.11178E-03 1498 0.141E-02 0.346E-03
RMM: 17 -0.107549552546E+04 -0.10402E-03 -0.11076E-03 1521 0.152E-02 0.391E-03
RMM: 18 -0.107549563037E+04 -0.10490E-03 -0.11176E-03 1557 0.161E-02 0.437E-03
RMM: 19 -0.107549573630E+04 -0.10593E-03 -0.11322E-03 1598 0.158E-02 0.481E-03
RMM: 20 -0.107549583954E+04 -0.10324E-03 -0.10863E-03 1677 0.145E-02 0.568E-03
RMM: 21 -0.107549594218E+04 -0.10264E-03 -0.11009E-03 1661 0.161E-02 0.622E-03
RMM: 22 -0.107549604632E+04 -0.10415E-03 -0.11235E-03 1586 0.162E-02 0.641E-03
RMM: 23 -0.107549614749E+04 -0.10117E-03 -0.10801E-03 1485 0.139E-02 0.666E-03
RMM: 24 -0.107549624732E+04 -0.99826E-04 -0.10611E-03 1479 0.141E-02 0.698E-03
RMM: 25 -0.107549634682E+04 -0.99500E-04 -0.10658E-03 1490 0.154E-02 0.733E-03
RMM: 26 -0.107549644712E+04 -0.10030E-03 -0.10819E-03 1492 0.158E-02 0.777E-03
RMM: 27 -0.107549654585E+04 -0.98730E-04 -0.10560E-03 1450 0.148E-02 0.817E-03
RMM: 28 -0.107549664362E+04 -0.97779E-04 -0.10475E-03 1466 0.154E-02 0.856E-03
RMM: 29 -0.107549674298E+04 -0.99356E-04 -0.10724E-03 1519 0.157E-02 0.899E-03
RMM: 30 -0.107549683839E+04 -0.95412E-04 -0.10182E-03 1397 0.141E-02 0.939E-03
RMM: 31 -0.107549693414E+04 -0.95743E-04 -0.10296E-03 1468 0.157E-02 0.978E-03
RMM: 32 -0.107549702982E+04 -0.95680E-04 -0.10276E-03 1457 0.157E-02 0.102E-02
RMM: 33 -0.107549712418E+04 -0.94366E-04 -0.10158E-03 1413 0.152E-02 0.107E-02
RMM: 34 -0.107549721810E+04 -0.93921E-04 -0.10082E-03 1443 0.155E-02 0.111E-02
RMM: 35 -0.107549731128E+04 -0.93180E-04 -0.10039E-03 1453 0.159E-02 0.115E-02
RMM: 36 -0.107549740457E+04 -0.93291E-04 -0.10077E-03 1460 0.158E-02 0.119E-02
RMM: 37 -0.107549749631E+04 -0.91736E-04 -0.98455E-04 1398 0.152E-02
351 T= 662. E= -.10763007E+04 F= -.10754975E+04 E0= -.10754471E+04 EK= 0.13265E+02 SP= -.14E+02 SK= 0.47E-03
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107570903857E+04 -0.21163E+00 -0.94672E-01 3381 0.986E-01 0.290E-01
RMM: 2 -0.107571386293E+04 -0.48244E-02 -0.64668E-02 4138 0.261E-01 0.223E-01
RMM: 3 -0.107571481254E+04 -0.94961E-03 -0.14820E-02 3998 0.929E-02 0.173E-01
RMM: 4 -0.107571495687E+04 -0.14433E-03 -0.47416E-03 3418 0.439E-02 0.924E-02
RMM: 5 -0.107571507326E+04 -0.11639E-03 -0.30673E-03 3062 0.286E-02 0.487E-02
RMM: 6 -0.107571512436E+04 -0.51106E-04 -0.16346E-03 2224 0.156E-02 0.295E-02
RMM: 7 -0.107571526620E+04 -0.14184E-03 -0.16497E-03 2164 0.132E-02 0.158E-02
RMM: 8 -0.107571539586E+04 -0.12966E-03 -0.14154E-03 2030 0.115E-02 0.767E-03
RMM: 9 -0.107571552678E+04 -0.13093E-03 -0.13797E-03 1824 0.108E-02 0.473E-03
RMM: 10 -0.107571565365E+04 -0.12687E-03 -0.13376E-03 1946 0.133E-02 0.311E-03
RMM: 11 -0.107571578053E+04 -0.12688E-03 -0.13180E-03 1937 0.120E-02 0.276E-03
RMM: 12 -0.107571589584E+04 -0.11531E-03 -0.12096E-03 1732 0.121E-02 0.140E-03
RMM: 13 -0.107571601188E+04 -0.11604E-03 -0.12310E-03 1552 0.144E-02 0.140E-03
RMM: 14 -0.107571612155E+04 -0.10967E-03 -0.11754E-03 1532 0.161E-02 0.202E-03
RMM: 15 -0.107571623392E+04 -0.11237E-03 -0.12060E-03 1581 0.166E-02 0.241E-03
RMM: 16 -0.107571633859E+04 -0.10468E-03 -0.11094E-03 1469 0.142E-02 0.294E-03
RMM: 17 -0.107571644232E+04 -0.10373E-03 -0.11016E-03 1462 0.150E-02 0.356E-03
RMM: 18 -0.107571654057E+04 -0.98246E-04 -0.10501E-03 1454 0.158E-02 0.398E-03
RMM: 19 -0.107571664021E+04 -0.99641E-04 -0.10749E-03 1494 0.166E-02 0.440E-03
RMM: 20 -0.107571673582E+04 -0.95605E-04 -0.10320E-03 1490 0.155E-02 0.491E-03
RMM: 21 -0.107571682923E+04 -0.93416E-04 -0.10025E-03 1418 0.146E-02 0.543E-03
RMM: 22 -0.107571691869E+04 -0.89462E-04 -0.98069E-04 1463 0.160E-02
352 T= 672. E= -.10763203E+04 F= -.10757169E+04 E0= -.10756659E+04 EK= 0.13457E+02 SP= -.14E+02 SK= 0.57E-07
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107559802070E+04 0.11881E+00 -0.10735E+00 3382 0.107E+00 0.311E-01
RMM: 2 -0.107560337675E+04 -0.53561E-02 -0.70817E-02 4121 0.286E-01 0.232E-01
RMM: 3 -0.107560438030E+04 -0.10036E-02 -0.15652E-02 4077 0.100E-01 0.158E-01
RMM: 4 -0.107560465802E+04 -0.27772E-03 -0.49802E-03 3528 0.468E-02 0.925E-02
RMM: 5 -0.107560455821E+04 0.99815E-04 -0.24372E-03 3026 0.272E-02 0.385E-02
RMM: 6 -0.107560467164E+04 -0.11343E-03 -0.15267E-03 2147 0.149E-02 0.218E-02
RMM: 7 -0.107560480819E+04 -0.13655E-03 -0.14777E-03 2086 0.125E-02 0.118E-02
RMM: 8 -0.107560492797E+04 -0.11978E-03 -0.12988E-03 1888 0.102E-02 0.580E-03
RMM: 9 -0.107560504878E+04 -0.12081E-03 -0.12489E-03 1797 0.108E-02 0.380E-03
RMM: 10 -0.107560517296E+04 -0.12418E-03 -0.13186E-03 2061 0.150E-02 0.233E-03
RMM: 11 -0.107560528900E+04 -0.11604E-03 -0.12031E-03 1855 0.114E-02 0.167E-03
RMM: 12 -0.107560540093E+04 -0.11192E-03 -0.11738E-03 1771 0.131E-02 0.134E-03
RMM: 13 -0.107560551187E+04 -0.11095E-03 -0.11836E-03 1619 0.152E-02 0.101E-03
RMM: 14 -0.107560562073E+04 -0.10886E-03 -0.11554E-03 1539 0.149E-02 0.975E-04
RMM: 15 -0.107560572720E+04 -0.10648E-03 -0.11347E-03 1508 0.148E-02 0.107E-03
RMM: 16 -0.107560583030E+04 -0.10310E-03 -0.10986E-03 1469 0.141E-02 0.135E-03
RMM: 17 -0.107560593057E+04 -0.10027E-03 -0.10672E-03 1443 0.143E-02 0.196E-03
RMM: 18 -0.107560602936E+04 -0.98787E-04 -0.10574E-03 1460 0.149E-02 0.212E-03
RMM: 19 -0.107560612785E+04 -0.98490E-04 -0.10612E-03 1531 0.150E-02 0.248E-03
RMM: 20 -0.107560622100E+04 -0.93153E-04 -0.99304E-04 1380 0.131E-02
353 T= 667. E= -.10763063E+04 F= -.10756062E+04 E0= -.10755557E+04 EK= 0.13368E+02 SP= -.14E+02 SK= 0.39E-03
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107532203123E+04 0.28410E+00 -0.11781E+00 3386 0.112E+00 0.313E-01
RMM: 2 -0.107532784885E+04 -0.58176E-02 -0.77206E-02 4118 0.309E-01 0.228E-01
RMM: 3 -0.107532899215E+04 -0.11433E-02 -0.15711E-02 4023 0.109E-01 0.155E-01
RMM: 4 -0.107532924577E+04 -0.25362E-03 -0.47331E-03 3642 0.493E-02 0.106E-01
RMM: 5 -0.107532901148E+04 0.23428E-03 -0.17917E-03 2995 0.261E-02 0.340E-02
RMM: 6 -0.107532911489E+04 -0.10341E-03 -0.12121E-03 2297 0.155E-02 0.154E-02
RMM: 7 -0.107532920566E+04 -0.90770E-04 -0.10057E-03 1955 0.108E-02 0.104E-02
RMM: 8 -0.107532929597E+04 -0.90306E-04 -0.97527E-04 1936 0.108E-02
354 T= 656. E= -.10762810E+04 F= -.10753293E+04 E0= -.10752810E+04 EK= 0.13140E+02 SP= -.14E+02 SK= 0.20E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107519535328E+04 0.13385E+00 -0.10493E+00 3383 0.106E+00 0.273E-01
RMM: 2 -0.107520070089E+04 -0.53476E-02 -0.66280E-02 4084 0.287E-01 0.204E-01
RMM: 3 -0.107520158789E+04 -0.88700E-03 -0.13295E-02 3945 0.106E-01 0.131E-01
RMM: 4 -0.107520191923E+04 -0.33134E-03 -0.44255E-03 3563 0.490E-02 0.708E-02
RMM: 5 -0.107520185658E+04 0.62648E-04 -0.18981E-03 2911 0.250E-02 0.335E-02
RMM: 6 -0.107520194803E+04 -0.91452E-04 -0.12344E-03 2162 0.156E-02 0.190E-02
RMM: 7 -0.107520205504E+04 -0.10701E-03 -0.11554E-03 2103 0.142E-02 0.110E-02
RMM: 8 -0.107520214828E+04 -0.93239E-04 -0.99425E-04 1875 0.102E-02
355 T= 652. E= -.10762761E+04 F= -.10752021E+04 E0= -.10751566E+04 EK= 0.13062E+02 SP= -.14E+02 SK= 0.54E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107529935866E+04 -0.97304E-01 -0.10065E+00 3356 0.101E+00 0.304E-01
RMM: 2 -0.107530381344E+04 -0.44548E-02 -0.62008E-02 4093 0.269E-01 0.223E-01
RMM: 3 -0.107530434687E+04 -0.53343E-03 -0.13233E-02 3790 0.101E-01 0.125E-01
RMM: 4 -0.107530475237E+04 -0.40549E-03 -0.51421E-03 3609 0.488E-02 0.872E-02
RMM: 5 -0.107530462571E+04 0.12665E-03 -0.20176E-03 2841 0.238E-02 0.497E-02
RMM: 6 -0.107530477800E+04 -0.15228E-03 -0.17289E-03 2687 0.174E-02 0.215E-02
RMM: 7 -0.107530488749E+04 -0.10950E-03 -0.13184E-03 1973 0.120E-02 0.121E-02
RMM: 8 -0.107530500583E+04 -0.11834E-03 -0.12870E-03 1925 0.123E-02 0.731E-03
RMM: 9 -0.107530512629E+04 -0.12046E-03 -0.12548E-03 1940 0.131E-02 0.554E-03
RMM: 10 -0.107530524411E+04 -0.11783E-03 -0.12086E-03 1934 0.111E-02 0.262E-03
RMM: 11 -0.107530535419E+04 -0.11008E-03 -0.11415E-03 1842 0.106E-02 0.188E-03
RMM: 12 -0.107530545920E+04 -0.10501E-03 -0.10886E-03 1669 0.104E-02 0.202E-03
RMM: 13 -0.107530555842E+04 -0.99214E-04 -0.10610E-03 1601 0.132E-02 0.261E-03
RMM: 14 -0.107530565963E+04 -0.10121E-03 -0.10890E-03 1619 0.151E-02 0.287E-03
RMM: 15 -0.107530575332E+04 -0.93693E-04 -0.99878E-04 1512 0.141E-02
356 T= 660. E= -.10762849E+04 F= -.10753058E+04 E0= -.10752619E+04 EK= 0.13226E+02 SP= -.14E+02 SK= 0.10E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107551871229E+04 -0.21305E+00 -0.10616E+00 3379 0.102E+00 0.318E-01
RMM: 2 -0.107552326104E+04 -0.45488E-02 -0.66423E-02 4080 0.273E-01 0.244E-01
RMM: 3 -0.107552346620E+04 -0.20516E-03 -0.13742E-02 3822 0.103E-01 0.117E-01
RMM: 4 -0.107552387811E+04 -0.41191E-03 -0.45525E-03 3624 0.475E-02 0.763E-02
RMM: 5 -0.107552382255E+04 0.55560E-04 -0.16015E-03 2713 0.224E-02 0.576E-02
RMM: 6 -0.107552392866E+04 -0.10610E-03 -0.14042E-03 2758 0.184E-02 0.189E-02
RMM: 7 -0.107552400316E+04 -0.74506E-04 -0.97735E-04 1929 0.126E-02
357 T= 675. E= -.10762993E+04 F= -.10755240E+04 E0= -.10754806E+04 EK= 0.13520E+02 SP= -.14E+02 SK= 0.15E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107566577957E+04 -0.14185E+00 -0.11720E+00 3420 0.108E+00 0.333E-01
RMM: 2 -0.107567134877E+04 -0.55692E-02 -0.73191E-02 4082 0.283E-01 0.256E-01
RMM: 3 -0.107567201880E+04 -0.67003E-03 -0.16433E-02 3880 0.107E-01 0.132E-01
RMM: 4 -0.107567260370E+04 -0.58491E-03 -0.61579E-03 3637 0.507E-02 0.804E-02
RMM: 5 -0.107567255194E+04 0.51765E-04 -0.27102E-03 2838 0.239E-02 0.536E-02
RMM: 6 -0.107567274445E+04 -0.19251E-03 -0.23702E-03 2705 0.179E-02 0.169E-02
RMM: 7 -0.107567291580E+04 -0.17135E-03 -0.18457E-03 1953 0.122E-02 0.110E-02
RMM: 8 -0.107567308873E+04 -0.17293E-03 -0.18139E-03 2018 0.130E-02 0.773E-03
RMM: 9 -0.107567325668E+04 -0.16795E-03 -0.17188E-03 1886 0.122E-02 0.617E-03
RMM: 10 -0.107567342473E+04 -0.16805E-03 -0.17172E-03 2026 0.122E-02 0.251E-03
RMM: 11 -0.107567357741E+04 -0.15268E-03 -0.15613E-03 1801 0.101E-02 0.213E-03
RMM: 12 -0.107567372871E+04 -0.15129E-03 -0.15655E-03 1871 0.124E-02 0.245E-03
RMM: 13 -0.107567387164E+04 -0.14293E-03 -0.14921E-03 1688 0.137E-02 0.390E-03
RMM: 14 -0.107567401499E+04 -0.14335E-03 -0.15040E-03 1667 0.154E-02 0.383E-03
RMM: 15 -0.107567414985E+04 -0.13487E-03 -0.14185E-03 1648 0.153E-02 0.351E-03
RMM: 16 -0.107567428338E+04 -0.13352E-03 -0.14080E-03 1667 0.159E-02 0.322E-03
RMM: 17 -0.107567441153E+04 -0.12815E-03 -0.13509E-03 1593 0.156E-02 0.353E-03
RMM: 18 -0.107567453772E+04 -0.12619E-03 -0.13288E-03 1524 0.152E-02 0.419E-03
RMM: 19 -0.107567465947E+04 -0.12176E-03 -0.12837E-03 1532 0.152E-02 0.494E-03
RMM: 20 -0.107567478001E+04 -0.12054E-03 -0.12703E-03 1499 0.149E-02 0.566E-03
RMM: 21 -0.107567489698E+04 -0.11698E-03 -0.12371E-03 1505 0.149E-02 0.643E-03
RMM: 22 -0.107567501030E+04 -0.11332E-03 -0.11975E-03 1442 0.137E-02 0.714E-03
RMM: 23 -0.107567512069E+04 -0.11039E-03 -0.11709E-03 1492 0.148E-02 0.793E-03
RMM: 24 -0.107567523023E+04 -0.10954E-03 -0.11679E-03 1527 0.153E-02 0.862E-03
RMM: 25 -0.107567533576E+04 -0.10553E-03 -0.11260E-03 1489 0.150E-02 0.939E-03
RMM: 26 -0.107567544048E+04 -0.10473E-03 -0.11151E-03 1506 0.152E-02 0.101E-02
RMM: 27 -0.107567554157E+04 -0.10109E-03 -0.10794E-03 1480 0.155E-02 0.108E-02
RMM: 28 -0.107567564345E+04 -0.10188E-03 -0.10941E-03 1518 0.163E-02 0.114E-02
RMM: 29 -0.107567574148E+04 -0.98032E-04 -0.10466E-03 1459 0.152E-02 0.121E-02
RMM: 30 -0.107567583845E+04 -0.96966E-04 -0.10363E-03 1469 0.152E-02 0.127E-02
RMM: 31 -0.107567593326E+04 -0.94811E-04 -0.10179E-03 1449 0.155E-02 0.133E-02
RMM: 32 -0.107567602774E+04 -0.94479E-04 -0.10177E-03 1471 0.157E-02 0.139E-02
RMM: 33 -0.107567611890E+04 -0.91161E-04 -0.97783E-04 1420 0.147E-02
358 T= 687. E= -.10763154E+04 F= -.10756761E+04 E0= -.10756292E+04 EK= 0.13762E+02 SP= -.14E+02 SK= 0.18E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107561335937E+04 0.62668E-01 -0.12911E+00 3409 0.114E+00 0.341E-01
RMM: 2 -0.107561952102E+04 -0.61617E-02 -0.83364E-02 4136 0.307E-01 0.257E-01
RMM: 3 -0.107562040775E+04 -0.88673E-03 -0.18027E-02 4047 0.114E-01 0.164E-01
RMM: 4 -0.107562088777E+04 -0.48002E-03 -0.68355E-03 3533 0.551E-02 0.914E-02
RMM: 5 -0.107562083367E+04 0.54101E-04 -0.31660E-03 3199 0.298E-02 0.508E-02
RMM: 6 -0.107562096838E+04 -0.13471E-03 -0.21318E-03 2511 0.171E-02 0.325E-02
RMM: 7 -0.107562114419E+04 -0.17581E-03 -0.19170E-03 2257 0.142E-02 0.125E-02
RMM: 8 -0.107562130512E+04 -0.16093E-03 -0.16887E-03 1919 0.106E-02 0.769E-03
RMM: 9 -0.107562145898E+04 -0.15386E-03 -0.15923E-03 1856 0.119E-02 0.589E-03
RMM: 10 -0.107562161547E+04 -0.15649E-03 -0.16586E-03 2221 0.172E-02 0.396E-03
RMM: 11 -0.107562176135E+04 -0.14588E-03 -0.15031E-03 1827 0.108E-02 0.224E-03
RMM: 12 -0.107562189970E+04 -0.13835E-03 -0.14405E-03 1905 0.128E-02 0.189E-03
RMM: 13 -0.107562203292E+04 -0.13322E-03 -0.14022E-03 1653 0.141E-02 0.259E-03
RMM: 14 -0.107562216472E+04 -0.13180E-03 -0.14037E-03 1645 0.165E-02 0.368E-03
RMM: 15 -0.107562229217E+04 -0.12745E-03 -0.13481E-03 1595 0.153E-02 0.431E-03
RMM: 16 -0.107562241479E+04 -0.12262E-03 -0.12903E-03 1545 0.146E-02 0.516E-03
RMM: 17 -0.107562253409E+04 -0.11930E-03 -0.12555E-03 1509 0.148E-02 0.589E-03
RMM: 18 -0.107562264912E+04 -0.11503E-03 -0.12231E-03 1521 0.158E-02 0.661E-03
RMM: 19 -0.107562276272E+04 -0.11360E-03 -0.12083E-03 1541 0.158E-02 0.731E-03
RMM: 20 -0.107562287215E+04 -0.10943E-03 -0.11652E-03 1500 0.153E-02 0.802E-03
RMM: 21 -0.107562297957E+04 -0.10742E-03 -0.11407E-03 1493 0.149E-02 0.869E-03
RMM: 22 -0.107562308400E+04 -0.10443E-03 -0.11110E-03 1481 0.150E-02 0.934E-03
RMM: 23 -0.107562318569E+04 -0.10168E-03 -0.10856E-03 1453 0.148E-02 0.100E-02
RMM: 24 -0.107562328496E+04 -0.99272E-04 -0.10601E-03 1448 0.147E-02 0.106E-02
RMM: 25 -0.107562338195E+04 -0.96994E-04 -0.10398E-03 1458 0.151E-02 0.112E-02
RMM: 26 -0.107562347797E+04 -0.96021E-04 -0.10335E-03 1486 0.152E-02 0.118E-02
RMM: 27 -0.107562356995E+04 -0.91977E-04 -0.98420E-04 1401 0.140E-02
359 T= 690. E= -.10763155E+04 F= -.10756236E+04 E0= -.10755737E+04 EK= 0.13824E+02 SP= -.15E+02 SK= 0.21E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107545856299E+04 0.16491E+00 -0.15429E+00 3392 0.125E+00 0.408E-01
RMM: 2 -0.107546527902E+04 -0.67160E-02 -0.10637E-01 4175 0.349E-01 0.308E-01
RMM: 3 -0.107546632758E+04 -0.10486E-02 -0.22355E-02 4163 0.129E-01 0.240E-01
RMM: 4 -0.107546617953E+04 0.14805E-03 -0.80543E-03 3688 0.629E-02 0.131E-01
RMM: 5 -0.107546619752E+04 -0.17995E-04 -0.36623E-03 3256 0.351E-02 0.621E-02
RMM: 6 -0.107546626079E+04 -0.63268E-04 -0.20080E-03 2769 0.189E-02 0.419E-02
RMM: 7 -0.107546641045E+04 -0.14966E-03 -0.17490E-03 2440 0.147E-02 0.192E-02
RMM: 8 -0.107546654849E+04 -0.13804E-03 -0.15110E-03 2003 0.113E-02 0.980E-03
RMM: 9 -0.107546667995E+04 -0.13146E-03 -0.13780E-03 1850 0.102E-02 0.657E-03
RMM: 10 -0.107546682031E+04 -0.14036E-03 -0.14517E-03 2039 0.134E-02 0.548E-03
RMM: 11 -0.107546694906E+04 -0.12875E-03 -0.13285E-03 1889 0.102E-02 0.309E-03
RMM: 12 -0.107546707254E+04 -0.12348E-03 -0.12788E-03 1661 0.100E-02 0.178E-03
RMM: 13 -0.107546719009E+04 -0.11755E-03 -0.12330E-03 1585 0.130E-02 0.196E-03
RMM: 14 -0.107546730913E+04 -0.11903E-03 -0.12700E-03 1616 0.152E-02 0.297E-03
RMM: 15 -0.107546742265E+04 -0.11352E-03 -0.11987E-03 1576 0.143E-02 0.299E-03
RMM: 16 -0.107546753435E+04 -0.11170E-03 -0.11849E-03 1605 0.150E-02 0.272E-03
RMM: 17 -0.107546764178E+04 -0.10743E-03 -0.11360E-03 1567 0.148E-02 0.228E-03
RMM: 18 -0.107546774852E+04 -0.10674E-03 -0.11394E-03 1571 0.157E-02 0.225E-03
RMM: 19 -0.107546785082E+04 -0.10230E-03 -0.10909E-03 1470 0.142E-02 0.252E-03
RMM: 20 -0.107546795148E+04 -0.10066E-03 -0.10743E-03 1478 0.146E-02 0.301E-03
RMM: 21 -0.107546804826E+04 -0.96782E-04 -0.10358E-03 1462 0.149E-02 0.362E-03
RMM: 22 -0.107546814534E+04 -0.97079E-04 -0.10424E-03 1490 0.154E-02 0.414E-03
RMM: 23 -0.107546823881E+04 -0.93473E-04 -0.10042E-03 1486 0.150E-02 0.471E-03
RMM: 24 -0.107546833040E+04 -0.91584E-04 -0.98632E-04 1476 0.148E-02
360 T= 689. E= -.10762947E+04 F= -.10754683E+04 E0= -.10754188E+04 EK= 0.13810E+02 SP= -.15E+02 SK= 0.23E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107548984986E+04 -0.21611E-01 -0.14521E+00 3377 0.121E+00 0.401E-01
RMM: 2 -0.107549606336E+04 -0.62135E-02 -0.93578E-02 4133 0.335E-01 0.305E-01
RMM: 3 -0.107549667181E+04 -0.60845E-03 -0.18785E-02 4113 0.121E-01 0.182E-01
RMM: 4 -0.107549706991E+04 -0.39810E-03 -0.73476E-03 3727 0.611E-02 0.114E-01
RMM: 5 -0.107549666488E+04 0.40504E-03 -0.18707E-03 3085 0.293E-02 0.611E-02
RMM: 6 -0.107549675740E+04 -0.92527E-04 -0.14459E-03 2802 0.193E-02 0.337E-02
RMM: 7 -0.107549682173E+04 -0.64329E-04 -0.10061E-03 2317 0.136E-02 0.158E-02
RMM: 8 -0.107549689215E+04 -0.70423E-04 -0.88159E-04 1947 0.107E-02
361 T= 697. E= -.10762987E+04 F= -.10754969E+04 E0= -.10754483E+04 EK= 0.13963E+02 SP= -.15E+02 SK= 0.25E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107568374207E+04 -0.18692E+00 -0.13461E+00 3379 0.118E+00 0.382E-01
RMM: 2 -0.107568969735E+04 -0.59553E-02 -0.84273E-02 4135 0.317E-01 0.288E-01
RMM: 3 -0.107569026937E+04 -0.57202E-03 -0.19069E-02 4048 0.119E-01 0.133E-01
RMM: 4 -0.107569072715E+04 -0.45778E-03 -0.54792E-03 3738 0.534E-02 0.772E-02
RMM: 5 -0.107569078771E+04 -0.60560E-04 -0.23404E-03 2784 0.243E-02 0.602E-02
RMM: 6 -0.107569089164E+04 -0.10393E-03 -0.18448E-03 2721 0.191E-02 0.152E-02
RMM: 7 -0.107569103175E+04 -0.14012E-03 -0.15186E-03 1909 0.123E-02 0.100E-02
RMM: 8 -0.107569116048E+04 -0.12873E-03 -0.13395E-03 1927 0.119E-02 0.876E-03
RMM: 9 -0.107569129092E+04 -0.13043E-03 -0.13346E-03 1849 0.118E-02 0.557E-03
RMM: 10 -0.107569141096E+04 -0.12004E-03 -0.12512E-03 2020 0.128E-02 0.177E-03
RMM: 11 -0.107569152718E+04 -0.11622E-03 -0.12034E-03 1870 0.113E-02 0.173E-03
RMM: 12 -0.107569163609E+04 -0.10891E-03 -0.11447E-03 1999 0.134E-02 0.176E-03
RMM: 13 -0.107569174130E+04 -0.10522E-03 -0.11066E-03 1662 0.122E-02 0.232E-03
RMM: 14 -0.107569184074E+04 -0.99436E-04 -0.10550E-03 1581 0.138E-02 0.263E-03
RMM: 15 -0.107569193864E+04 -0.97895E-04 -0.10403E-03 1515 0.144E-02 0.319E-03
RMM: 16 -0.107569203177E+04 -0.93130E-04 -0.10046E-03 1549 0.155E-02 0.370E-03
RMM: 17 -0.107569212261E+04 -0.90845E-04 -0.97211E-04 1456 0.148E-02
362 T= 712. E= -.10763196E+04 F= -.10756921E+04 E0= -.10756443E+04 EK= 0.14271E+02 SP= -.15E+02 SK= 0.25E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107576308495E+04 -0.71053E-01 -0.12254E+00 3395 0.114E+00 0.347E-01
RMM: 2 -0.107576919395E+04 -0.61090E-02 -0.79221E-02 4120 0.307E-01 0.257E-01
RMM: 3 -0.107577010326E+04 -0.90930E-03 -0.17291E-02 4038 0.113E-01 0.143E-01
RMM: 4 -0.107577054617E+04 -0.44291E-03 -0.53397E-03 3705 0.521E-02 0.798E-02
RMM: 5 -0.107577042532E+04 0.12084E-03 -0.19433E-03 2870 0.246E-02 0.465E-02
RMM: 6 -0.107577052415E+04 -0.98822E-04 -0.14231E-03 2451 0.164E-02 0.200E-02
RMM: 7 -0.107577062650E+04 -0.10235E-03 -0.11545E-03 2040 0.126E-02 0.116E-02
RMM: 8 -0.107577072310E+04 -0.96601E-04 -0.10723E-03 1893 0.110E-02 0.583E-03
RMM: 9 -0.107577081799E+04 -0.94890E-04 -0.99878E-04 1851 0.127E-02
363 T= 722. E= -.10763315E+04 F= -.10757708E+04 E0= -.10757234E+04 EK= 0.14469E+02 SP= -.15E+02 SK= 0.22E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107556002171E+04 0.21070E+00 -0.11554E+00 3406 0.110E+00 0.333E-01
RMM: 2 -0.107556592379E+04 -0.59021E-02 -0.77195E-02 4118 0.302E-01 0.241E-01
RMM: 3 -0.107556697319E+04 -0.10494E-02 -0.17117E-02 4101 0.110E-01 0.139E-01
RMM: 4 -0.107556737163E+04 -0.39844E-03 -0.52479E-03 3673 0.508E-02 0.784E-02
RMM: 5 -0.107556730233E+04 0.69299E-04 -0.20592E-03 2901 0.246E-02 0.403E-02
RMM: 6 -0.107556741646E+04 -0.11413E-03 -0.15678E-03 2293 0.161E-02 0.190E-02
RMM: 7 -0.107556753185E+04 -0.11539E-03 -0.12751E-03 2068 0.136E-02 0.107E-02
RMM: 8 -0.107556764863E+04 -0.11677E-03 -0.12505E-03 1898 0.113E-02 0.592E-03
RMM: 9 -0.107556775521E+04 -0.10658E-03 -0.11169E-03 1880 0.128E-02 0.355E-03
RMM: 10 -0.107556787204E+04 -0.11683E-03 -0.12571E-03 2166 0.165E-02 0.260E-03
RMM: 11 -0.107556797177E+04 -0.99738E-04 -0.10422E-03 1798 0.111E-02 0.214E-03
RMM: 12 -0.107556807355E+04 -0.10178E-03 -0.10766E-03 1909 0.131E-02 0.141E-03
RMM: 13 -0.107556816594E+04 -0.92390E-04 -0.99231E-04 1713 0.142E-02
364 T= 719. E= -.10763166E+04 F= -.10755682E+04 E0= -.10755212E+04 EK= 0.14403E+02 SP= -.15E+02 SK= 0.19E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107526319337E+04 0.30488E+00 -0.11411E+00 3397 0.107E+00 0.329E-01
RMM: 2 -0.107526901733E+04 -0.58240E-02 -0.76391E-02 4107 0.291E-01 0.247E-01
RMM: 3 -0.107527012231E+04 -0.11050E-02 -0.18339E-02 4019 0.108E-01 0.139E-01
RMM: 4 -0.107527042541E+04 -0.30310E-03 -0.45731E-03 3598 0.472E-02 0.679E-02
RMM: 5 -0.107527046896E+04 -0.43550E-04 -0.21171E-03 2854 0.238E-02 0.409E-02
RMM: 6 -0.107527055853E+04 -0.89571E-04 -0.15139E-03 2062 0.152E-02 0.159E-02
RMM: 7 -0.107527068567E+04 -0.12714E-03 -0.13766E-03 2194 0.159E-02 0.983E-03
RMM: 8 -0.107527081010E+04 -0.12443E-03 -0.13253E-03 1928 0.117E-02 0.511E-03
RMM: 9 -0.107527092654E+04 -0.11643E-03 -0.12082E-03 1869 0.120E-02 0.336E-03
RMM: 10 -0.107527104730E+04 -0.12076E-03 -0.12916E-03 2104 0.156E-02 0.204E-03
RMM: 11 -0.107527115752E+04 -0.11022E-03 -0.11605E-03 1878 0.122E-02 0.157E-03
RMM: 12 -0.107527126447E+04 -0.10695E-03 -0.11409E-03 1869 0.132E-02 0.142E-03
RMM: 13 -0.107527136881E+04 -0.10434E-03 -0.11202E-03 1785 0.152E-02 0.183E-03
RMM: 14 -0.107527147194E+04 -0.10313E-03 -0.11068E-03 1591 0.146E-02 0.297E-03
RMM: 15 -0.107527156880E+04 -0.96856E-04 -0.10471E-03 1505 0.150E-02 0.274E-03
RMM: 16 -0.107527166657E+04 -0.97774E-04 -0.10846E-03 1680 0.176E-02 0.283E-03
RMM: 17 -0.107527176146E+04 -0.94894E-04 -0.10196E-03 1599 0.149E-02 0.259E-03
RMM: 18 -0.107527185329E+04 -0.91823E-04 -0.98272E-04 1473 0.142E-02
365 T= 711. E= -.10762970E+04 F= -.10752719E+04 E0= -.10752254E+04 EK= 0.14240E+02 SP= -.15E+02 SK= 0.17E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107511584111E+04 0.15592E+00 -0.97698E-01 3388 0.101E+00 0.275E-01
RMM: 2 -0.107512104491E+04 -0.52038E-02 -0.66090E-02 4101 0.273E-01 0.217E-01
RMM: 3 -0.107512211501E+04 -0.10701E-02 -0.15122E-02 3960 0.975E-02 0.157E-01
RMM: 4 -0.107512243892E+04 -0.32391E-03 -0.47544E-03 3489 0.454E-02 0.874E-02
RMM: 5 -0.107512240090E+04 0.38015E-04 -0.25488E-03 2965 0.255E-02 0.358E-02
RMM: 6 -0.107512252742E+04 -0.12651E-03 -0.17097E-03 2159 0.153E-02 0.222E-02
RMM: 7 -0.107512267606E+04 -0.14864E-03 -0.16369E-03 2119 0.139E-02 0.139E-02
RMM: 8 -0.107512281669E+04 -0.14063E-03 -0.14820E-03 1877 0.105E-02 0.509E-03
RMM: 9 -0.107512295712E+04 -0.14043E-03 -0.14420E-03 1835 0.108E-02 0.340E-03
RMM: 10 -0.107512309281E+04 -0.13569E-03 -0.14168E-03 1991 0.131E-02 0.185E-03
RMM: 11 -0.107512322231E+04 -0.12949E-03 -0.13511E-03 1894 0.124E-02 0.117E-03
RMM: 12 -0.107512334694E+04 -0.12463E-03 -0.13150E-03 1915 0.146E-02 0.117E-03
RMM: 13 -0.107512347037E+04 -0.12343E-03 -0.13066E-03 1635 0.147E-02 0.151E-03
RMM: 14 -0.107512358583E+04 -0.11546E-03 -0.12177E-03 1476 0.144E-02 0.255E-03
RMM: 15 -0.107512370322E+04 -0.11739E-03 -0.12573E-03 1614 0.173E-02 0.278E-03
RMM: 16 -0.107512381512E+04 -0.11190E-03 -0.11908E-03 1460 0.149E-02 0.343E-03
RMM: 17 -0.107512392471E+04 -0.10958E-03 -0.11751E-03 1504 0.153E-02 0.414E-03
RMM: 18 -0.107512403059E+04 -0.10588E-03 -0.11420E-03 1449 0.153E-02 0.468E-03
RMM: 19 -0.107512413897E+04 -0.10838E-03 -0.12043E-03 1612 0.170E-02 0.521E-03
RMM: 20 -0.107512424348E+04 -0.10451E-03 -0.11852E-03 1444 0.143E-02 0.588E-03
RMM: 21 -0.107512435013E+04 -0.10665E-03 -0.12687E-03 1446 0.146E-02 0.653E-03
RMM: 22 -0.107512442606E+04 -0.75930E-04 -0.11028E-03 1424 0.154E-02 0.718E-03
RMM: 23 -0.107512452048E+04 -0.94420E-04 -0.10243E-03 1520 0.162E-02 0.784E-03
RMM: 24 -0.107512460982E+04 -0.89346E-04 -0.96265E-04 1429 0.149E-02
366 T= 709. E= -.10763015E+04 F= -.10751246E+04 E0= -.10750784E+04 EK= 0.14196E+02 SP= -.15E+02 SK= 0.16E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107508067882E+04 0.43842E-01 -0.95134E-01 3420 0.101E+00 0.274E-01
RMM: 2 -0.107508541781E+04 -0.47390E-02 -0.63579E-02 4083 0.274E-01 0.209E-01
RMM: 3 -0.107508603668E+04 -0.61887E-03 -0.12691E-02 3895 0.972E-02 0.130E-01
RMM: 4 -0.107508638133E+04 -0.34465E-03 -0.45267E-03 3457 0.456E-02 0.689E-02
RMM: 5 -0.107508641007E+04 -0.28739E-04 -0.21303E-03 2891 0.235E-02 0.464E-02
RMM: 6 -0.107508649764E+04 -0.87566E-04 -0.13735E-03 2164 0.153E-02 0.218E-02
RMM: 7 -0.107508662571E+04 -0.12808E-03 -0.13538E-03 2064 0.140E-02 0.758E-03
RMM: 8 -0.107508673873E+04 -0.11302E-03 -0.11689E-03 1855 0.102E-02 0.545E-03
RMM: 9 -0.107508685030E+04 -0.11157E-03 -0.11631E-03 1830 0.115E-02 0.423E-03
RMM: 10 -0.107508695625E+04 -0.10595E-03 -0.11281E-03 2130 0.151E-02 0.198E-03
RMM: 11 -0.107508706156E+04 -0.10530E-03 -0.11124E-03 1890 0.129E-02 0.144E-03
RMM: 12 -0.107508715803E+04 -0.96471E-04 -0.10149E-03 1806 0.123E-02 0.164E-03
RMM: 13 -0.107508725335E+04 -0.95325E-04 -0.10197E-03 1605 0.137E-02 0.256E-03
RMM: 14 -0.107508734400E+04 -0.90643E-04 -0.97730E-04 1560 0.151E-02
367 T= 711. E= -.10763110E+04 F= -.10750873E+04 E0= -.10750412E+04 EK= 0.14255E+02 SP= -.15E+02 SK= 0.15E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107505785959E+04 0.29394E-01 -0.11057E+00 3386 0.107E+00 0.309E-01
RMM: 2 -0.107506325034E+04 -0.53908E-02 -0.76126E-02 4138 0.302E-01 0.237E-01
RMM: 3 -0.107506399826E+04 -0.74792E-03 -0.15912E-02 4096 0.108E-01 0.170E-01
RMM: 4 -0.107506427875E+04 -0.28050E-03 -0.64042E-03 3616 0.515E-02 0.102E-01
RMM: 5 -0.107506426970E+04 0.90571E-05 -0.30385E-03 3079 0.270E-02 0.510E-02
RMM: 6 -0.107506444150E+04 -0.17180E-03 -0.22165E-03 2336 0.167E-02 0.324E-02
RMM: 7 -0.107506462139E+04 -0.17989E-03 -0.19845E-03 2074 0.132E-02 0.149E-02
RMM: 8 -0.107506479470E+04 -0.17331E-03 -0.18360E-03 2001 0.117E-02 0.704E-03
RMM: 9 -0.107506496466E+04 -0.16996E-03 -0.17557E-03 1848 0.125E-02 0.502E-03
RMM: 10 -0.107506513479E+04 -0.17012E-03 -0.17852E-03 2162 0.167E-02 0.235E-03
RMM: 11 -0.107506529692E+04 -0.16213E-03 -0.16685E-03 1917 0.123E-02 0.176E-03
RMM: 12 -0.107506545225E+04 -0.15533E-03 -0.16129E-03 1859 0.132E-02 0.181E-03
RMM: 13 -0.107506560321E+04 -0.15096E-03 -0.15758E-03 1624 0.143E-02 0.270E-03
RMM: 14 -0.107506574921E+04 -0.14600E-03 -0.15394E-03 1559 0.155E-02 0.366E-03
RMM: 15 -0.107506589144E+04 -0.14223E-03 -0.14942E-03 1482 0.150E-02 0.452E-03
RMM: 16 -0.107506602846E+04 -0.13702E-03 -0.14471E-03 1549 0.161E-02 0.523E-03
RMM: 17 -0.107506616162E+04 -0.13315E-03 -0.14019E-03 1499 0.160E-02 0.608E-03
RMM: 18 -0.107506629177E+04 -0.13016E-03 -0.13746E-03 1514 0.166E-02 0.688E-03
RMM: 19 -0.107506641896E+04 -0.12719E-03 -0.13470E-03 1510 0.161E-02 0.769E-03
RMM: 20 -0.107506654197E+04 -0.12301E-03 -0.12904E-03 1453 0.145E-02 0.852E-03
RMM: 21 -0.107506665951E+04 -0.11754E-03 -0.12409E-03 1462 0.146E-02 0.930E-03
RMM: 22 -0.107506677408E+04 -0.11457E-03 -0.12135E-03 1419 0.152E-02 0.101E-02
RMM: 23 -0.107506688573E+04 -0.11166E-03 -0.11947E-03 1496 0.160E-02 0.108E-02
RMM: 24 -0.107506699296E+04 -0.10723E-03 -0.11412E-03 1445 0.153E-02 0.116E-02
RMM: 25 -0.107506709812E+04 -0.10516E-03 -0.11264E-03 1471 0.158E-02 0.123E-02
RMM: 26 -0.107506719927E+04 -0.10115E-03 -0.10794E-03 1445 0.149E-02 0.130E-02
RMM: 27 -0.107506729637E+04 -0.97104E-04 -0.10370E-03 1415 0.151E-02 0.137E-02
RMM: 28 -0.107506739186E+04 -0.95488E-04 -0.10295E-03 1464 0.161E-02 0.144E-02
RMM: 29 -0.107506748376E+04 -0.91899E-04 -0.98890E-04 1438 0.154E-02
368 T= 716. E= -.10763035E+04 F= -.10750675E+04 E0= -.10750212E+04 EK= 0.14345E+02 SP= -.16E+02 SK= 0.14E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107515575258E+04 -0.88361E-01 -0.12491E+00 3403 0.113E+00 0.362E-01
RMM: 2 -0.107516147501E+04 -0.57224E-02 -0.82647E-02 4117 0.310E-01 0.273E-01
RMM: 3 -0.107516209146E+04 -0.61646E-03 -0.17280E-02 4022 0.112E-01 0.169E-01
RMM: 4 -0.107516246286E+04 -0.37140E-03 -0.68587E-03 3615 0.559E-02 0.102E-01
RMM: 5 -0.107516228767E+04 0.17519E-03 -0.26692E-03 3102 0.282E-02 0.557E-02
RMM: 6 -0.107516242298E+04 -0.13530E-03 -0.18303E-03 2541 0.173E-02 0.336E-02
RMM: 7 -0.107516256369E+04 -0.14071E-03 -0.16699E-03 2152 0.134E-02 0.138E-02
RMM: 8 -0.107516269240E+04 -0.12871E-03 -0.14191E-03 1931 0.103E-02 0.733E-03
RMM: 9 -0.107516282795E+04 -0.13555E-03 -0.14032E-03 1887 0.120E-02 0.564E-03
RMM: 10 -0.107516296350E+04 -0.13555E-03 -0.14396E-03 2199 0.167E-02 0.282E-03
RMM: 11 -0.107516309171E+04 -0.12820E-03 -0.13207E-03 1833 0.102E-02 0.208E-03
RMM: 12 -0.107516321196E+04 -0.12025E-03 -0.12596E-03 1842 0.123E-02 0.209E-03
RMM: 13 -0.107516332849E+04 -0.11652E-03 -0.12212E-03 1477 0.131E-02 0.264E-03
RMM: 14 -0.107516344355E+04 -0.11506E-03 -0.12495E-03 1741 0.181E-02 0.292E-03
RMM: 15 -0.107516355678E+04 -0.11323E-03 -0.12056E-03 1575 0.152E-02 0.339E-03
RMM: 16 -0.107516366223E+04 -0.10546E-03 -0.11165E-03 1535 0.146E-02 0.388E-03
RMM: 17 -0.107516376770E+04 -0.10546E-03 -0.11218E-03 1586 0.162E-02 0.464E-03
RMM: 18 -0.107516386986E+04 -0.10217E-03 -0.10969E-03 1721 0.171E-02 0.538E-03
RMM: 19 -0.107516396931E+04 -0.99450E-04 -0.10647E-03 1550 0.152E-02 0.589E-03
RMM: 20 -0.107516406218E+04 -0.92870E-04 -0.99286E-04 1440 0.145E-02
369 T= 725. E= -.10763091E+04 F= -.10751641E+04 E0= -.10751172E+04 EK= 0.14532E+02 SP= -.16E+02 SK= 0.11E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107529842698E+04 -0.13446E+00 -0.10410E+00 3388 0.105E+00 0.304E-01
RMM: 2 -0.107530400796E+04 -0.55810E-02 -0.74911E-02 4122 0.294E-01 0.235E-01
RMM: 3 -0.107530490969E+04 -0.90173E-03 -0.16225E-02 4074 0.104E-01 0.174E-01
RMM: 4 -0.107530524024E+04 -0.33055E-03 -0.65479E-03 3508 0.506E-02 0.106E-01
RMM: 5 -0.107530525840E+04 -0.18164E-04 -0.37110E-03 3148 0.301E-02 0.471E-02
RMM: 6 -0.107530545326E+04 -0.19485E-03 -0.25701E-03 2372 0.162E-02 0.320E-02
RMM: 7 -0.107530566949E+04 -0.21623E-03 -0.23653E-03 2088 0.124E-02 0.169E-02
RMM: 8 -0.107530588025E+04 -0.21077E-03 -0.22052E-03 1972 0.112E-02 0.648E-03
RMM: 9 -0.107530608561E+04 -0.20536E-03 -0.20970E-03 1784 0.106E-02 0.441E-03
RMM: 10 -0.107530628941E+04 -0.20380E-03 -0.21044E-03 2017 0.145E-02 0.271E-03
RMM: 11 -0.107530648491E+04 -0.19550E-03 -0.19943E-03 1895 0.120E-02 0.168E-03
RMM: 12 -0.107530667382E+04 -0.18891E-03 -0.19463E-03 1833 0.134E-02 0.155E-03
RMM: 13 -0.107530685583E+04 -0.18201E-03 -0.18756E-03 1537 0.126E-02 0.197E-03
RMM: 14 -0.107530703114E+04 -0.17531E-03 -0.18075E-03 1434 0.134E-02 0.343E-03
RMM: 15 -0.107530720162E+04 -0.17049E-03 -0.17832E-03 1554 0.158E-02 0.369E-03
RMM: 16 -0.107530736756E+04 -0.16593E-03 -0.17307E-03 1542 0.155E-02 0.411E-03
RMM: 17 -0.107530752705E+04 -0.15949E-03 -0.16671E-03 1566 0.158E-02 0.435E-03
RMM: 18 -0.107530768186E+04 -0.15481E-03 -0.16151E-03 1485 0.157E-02 0.503E-03
RMM: 19 -0.107530783151E+04 -0.14966E-03 -0.15685E-03 1511 0.161E-02 0.589E-03
RMM: 20 -0.107530797659E+04 -0.14507E-03 -0.15232E-03 1484 0.157E-02 0.635E-03
RMM: 21 -0.107530811688E+04 -0.14029E-03 -0.14713E-03 1501 0.155E-02 0.706E-03
RMM: 22 -0.107530825272E+04 -0.13584E-03 -0.14301E-03 1465 0.151E-02 0.772E-03
RMM: 23 -0.107530838326E+04 -0.13055E-03 -0.13766E-03 1461 0.149E-02 0.829E-03
RMM: 24 -0.107530850846E+04 -0.12520E-03 -0.13215E-03 1417 0.152E-02 0.900E-03
RMM: 25 -0.107530863172E+04 -0.12326E-03 -0.13149E-03 1551 0.167E-02 0.958E-03
RMM: 26 -0.107530875043E+04 -0.11871E-03 -0.12573E-03 1452 0.150E-02 0.102E-02
RMM: 27 -0.107530886406E+04 -0.11363E-03 -0.12059E-03 1454 0.149E-02 0.108E-02
RMM: 28 -0.107530897371E+04 -0.10965E-03 -0.11656E-03 1424 0.152E-02 0.115E-02
RMM: 29 -0.107530907981E+04 -0.10610E-03 -0.11371E-03 1461 0.160E-02 0.121E-02
RMM: 30 -0.107530918321E+04 -0.10340E-03 -0.11066E-03 1482 0.157E-02 0.127E-02
RMM: 31 -0.107530928240E+04 -0.99186E-04 -0.10613E-03 1442 0.153E-02 0.132E-02
RMM: 32 -0.107530937891E+04 -0.96516E-04 -0.10456E-03 1468 0.158E-02 0.138E-02
RMM: 33 -0.107530947248E+04 -0.93562E-04 -0.10141E-03 1443 0.152E-02 0.143E-02
RMM: 34 -0.107530955968E+04 -0.87198E-04 -0.95085E-04 1377 0.146E-02
370 T= 736. E= -.10763344E+04 F= -.10753096E+04 E0= -.10752613E+04 EK= 0.14739E+02 SP= -.16E+02 SK= 0.81E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107520783534E+04 0.10164E+00 -0.12560E+00 3374 0.116E+00 0.332E-01
RMM: 2 -0.107521480079E+04 -0.69654E-02 -0.91118E-02 4153 0.328E-01 0.256E-01
RMM: 3 -0.107521604541E+04 -0.12446E-02 -0.19284E-02 4139 0.114E-01 0.208E-01
RMM: 4 -0.107521604042E+04 0.49949E-05 -0.68840E-03 3622 0.531E-02 0.130E-01
RMM: 5 -0.107521609076E+04 -0.50341E-04 -0.35970E-03 3075 0.308E-02 0.404E-02
RMM: 6 -0.107521631126E+04 -0.22051E-03 -0.25072E-03 2394 0.166E-02 0.244E-02
RMM: 7 -0.107521651853E+04 -0.20727E-03 -0.21779E-03 2032 0.115E-02 0.127E-02
RMM: 8 -0.107521672207E+04 -0.20353E-03 -0.21095E-03 1946 0.102E-02 0.629E-03
RMM: 9 -0.107521691357E+04 -0.19151E-03 -0.19513E-03 1796 0.103E-02 0.419E-03
RMM: 10 -0.107521710755E+04 -0.19397E-03 -0.19990E-03 1928 0.130E-02 0.211E-03
RMM: 11 -0.107521728400E+04 -0.17646E-03 -0.18219E-03 1870 0.120E-02 0.155E-03
RMM: 12 -0.107521746005E+04 -0.17605E-03 -0.18289E-03 1760 0.137E-02 0.173E-03
RMM: 13 -0.107521762363E+04 -0.16358E-03 -0.17006E-03 1526 0.136E-02 0.275E-03
RMM: 14 -0.107521778591E+04 -0.16228E-03 -0.16947E-03 1507 0.151E-02 0.333E-03
RMM: 15 -0.107521794026E+04 -0.15435E-03 -0.16135E-03 1485 0.151E-02 0.388E-03
RMM: 16 -0.107521809147E+04 -0.15121E-03 -0.15839E-03 1513 0.145E-02 0.463E-03
RMM: 17 -0.107521823229E+04 -0.14082E-03 -0.14705E-03 1388 0.137E-02 0.547E-03
RMM: 18 -0.107521837076E+04 -0.13847E-03 -0.14551E-03 1450 0.153E-02 0.621E-03
RMM: 19 -0.107521850309E+04 -0.13233E-03 -0.14015E-03 1499 0.158E-02 0.686E-03
RMM: 20 -0.107521863070E+04 -0.12761E-03 -0.13449E-03 1410 0.144E-02 0.755E-03
RMM: 21 -0.107521875307E+04 -0.12237E-03 -0.12974E-03 1493 0.151E-02 0.820E-03
RMM: 22 -0.107521887046E+04 -0.11739E-03 -0.12457E-03 1428 0.149E-02 0.895E-03
RMM: 23 -0.107521898318E+04 -0.11273E-03 -0.12046E-03 1475 0.161E-02 0.962E-03
RMM: 24 -0.107521909277E+04 -0.10959E-03 -0.11696E-03 1464 0.154E-02 0.103E-02
RMM: 25 -0.107521919661E+04 -0.10384E-03 -0.11094E-03 1419 0.150E-02 0.109E-02
RMM: 26 -0.107521929781E+04 -0.10120E-03 -0.10871E-03 1470 0.156E-02 0.115E-02
RMM: 27 -0.107521939399E+04 -0.96179E-04 -0.10326E-03 1446 0.149E-02 0.121E-02
RMM: 28 -0.107521948734E+04 -0.93343E-04 -0.10079E-03 1436 0.152E-02 0.127E-02
RMM: 29 -0.107521957560E+04 -0.88264E-04 -0.95285E-04 1432 0.151E-02
371 T= 735. E= -.10763251E+04 F= -.10752196E+04 E0= -.10751712E+04 EK= 0.14728E+02 SP= -.16E+02 SK= 0.50E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107502463703E+04 0.19485E+00 -0.16520E+00 3412 0.130E+00 0.429E-01
RMM: 2 -0.107503233989E+04 -0.77029E-02 -0.11647E-01 4174 0.371E-01 0.327E-01
RMM: 3 -0.107503353269E+04 -0.11928E-02 -0.24108E-02 4252 0.131E-01 0.245E-01
RMM: 4 -0.107503330962E+04 0.22307E-03 -0.79707E-03 3709 0.626E-02 0.133E-01
RMM: 5 -0.107503322167E+04 0.87949E-04 -0.28480E-03 3212 0.322E-02 0.614E-02
RMM: 6 -0.107503333036E+04 -0.10869E-03 -0.18023E-03 2807 0.187E-02 0.408E-02
RMM: 7 -0.107503341709E+04 -0.86730E-04 -0.14546E-03 2129 0.133E-02 0.169E-02
RMM: 8 -0.107503353727E+04 -0.12018E-03 -0.12821E-03 1977 0.115E-02 0.760E-03
RMM: 9 -0.107503365584E+04 -0.11857E-03 -0.12084E-03 1792 0.105E-02 0.435E-03
RMM: 10 -0.107503377200E+04 -0.11616E-03 -0.12178E-03 2067 0.149E-02 0.201E-03
RMM: 11 -0.107503388376E+04 -0.11177E-03 -0.11780E-03 1961 0.125E-02 0.198E-03
RMM: 12 -0.107503398361E+04 -0.99841E-04 -0.10422E-03 1642 0.104E-02 0.222E-03
RMM: 13 -0.107503408130E+04 -0.97691E-04 -0.10441E-03 1570 0.139E-02 0.297E-03
RMM: 14 -0.107503417805E+04 -0.96753E-04 -0.10515E-03 1610 0.161E-02 0.351E-03
RMM: 15 -0.107503427100E+04 -0.92953E-04 -0.99269E-04 1521 0.140E-02
372 T= 730. E= -.10762995E+04 F= -.10750343E+04 E0= -.10749872E+04 EK= 0.14621E+02 SP= -.16E+02 SK= 0.28E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107509915586E+04 -0.64978E-01 -0.13430E+00 3390 0.116E+00 0.383E-01
RMM: 2 -0.107510512813E+04 -0.59723E-02 -0.91530E-02 4155 0.325E-01 0.291E-01
RMM: 3 -0.107510595711E+04 -0.82899E-03 -0.19752E-02 4140 0.119E-01 0.196E-01
RMM: 4 -0.107510610235E+04 -0.14524E-03 -0.72047E-03 3683 0.595E-02 0.106E-01
RMM: 5 -0.107510599025E+04 0.11210E-03 -0.23556E-03 3131 0.288E-02 0.568E-02
RMM: 6 -0.107510610706E+04 -0.11681E-03 -0.16923E-03 2681 0.178E-02 0.268E-02
RMM: 7 -0.107510623766E+04 -0.13060E-03 -0.13906E-03 2056 0.123E-02 0.125E-02
RMM: 8 -0.107510635755E+04 -0.11989E-03 -0.12831E-03 2000 0.107E-02 0.916E-03
RMM: 9 -0.107510647768E+04 -0.12013E-03 -0.12433E-03 1884 0.112E-02 0.574E-03
RMM: 10 -0.107510660050E+04 -0.12282E-03 -0.12833E-03 2105 0.142E-02 0.245E-03
RMM: 11 -0.107510671626E+04 -0.11576E-03 -0.11975E-03 1839 0.107E-02 0.180E-03
RMM: 12 -0.107510682792E+04 -0.11167E-03 -0.11626E-03 1774 0.110E-02 0.179E-03
RMM: 13 -0.107510693540E+04 -0.10748E-03 -0.11224E-03 1525 0.122E-02 0.205E-03
RMM: 14 -0.107510704494E+04 -0.10954E-03 -0.11769E-03 1665 0.165E-02 0.277E-03
RMM: 15 -0.107510715141E+04 -0.10648E-03 -0.11325E-03 1494 0.142E-02 0.319E-03
RMM: 16 -0.107510725276E+04 -0.10134E-03 -0.10902E-03 1485 0.151E-02 0.367E-03
RMM: 17 -0.107510735384E+04 -0.10109E-03 -0.10811E-03 1518 0.163E-02 0.415E-03
RMM: 18 -0.107510745607E+04 -0.10223E-03 -0.10960E-03 1542 0.171E-02 0.490E-03
RMM: 19 -0.107510755313E+04 -0.97054E-04 -0.10325E-03 1427 0.147E-02 0.548E-03
RMM: 20 -0.107510764941E+04 -0.96287E-04 -0.10340E-03 1485 0.162E-02 0.610E-03
RMM: 21 -0.107510774379E+04 -0.94374E-04 -0.10177E-03 1501 0.163E-02 0.640E-03
RMM: 22 -0.107510783780E+04 -0.94012E-04 -0.10240E-03 1565 0.167E-02 0.660E-03
RMM: 23 -0.107510792887E+04 -0.91068E-04 -0.99198E-04 1665 0.154E-02
373 T= 735. E= -.10763007E+04 F= -.10751079E+04 E0= -.10750619E+04 EK= 0.14733E+02 SP= -.16E+02 SK= 0.13E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107539755372E+04 -0.28972E+00 -0.12998E+00 3370 0.111E+00 0.422E-01
RMM: 2 -0.107540296401E+04 -0.54103E-02 -0.85569E-02 4080 0.296E-01 0.313E-01
RMM: 3 -0.107540330111E+04 -0.33710E-03 -0.19179E-02 3888 0.111E-01 0.144E-01
RMM: 4 -0.107540399146E+04 -0.69035E-03 -0.67613E-03 3593 0.525E-02 0.103E-01
RMM: 5 -0.107540377253E+04 0.21893E-03 -0.22654E-03 2876 0.250E-02 0.690E-02
RMM: 6 -0.107540391453E+04 -0.14200E-03 -0.20669E-03 2763 0.191E-02 0.195E-02
RMM: 7 -0.107540404966E+04 -0.13514E-03 -0.15084E-03 2024 0.126E-02 0.117E-02
RMM: 8 -0.107540419816E+04 -0.14850E-03 -0.15609E-03 2018 0.123E-02 0.798E-03
RMM: 9 -0.107540434088E+04 -0.14272E-03 -0.14380E-03 1784 0.946E-03 0.627E-03
RMM: 10 -0.107540448913E+04 -0.14825E-03 -0.15037E-03 1909 0.106E-02 0.219E-03
RMM: 11 -0.107540462786E+04 -0.13873E-03 -0.14209E-03 1828 0.990E-03 0.185E-03
RMM: 12 -0.107540476668E+04 -0.13882E-03 -0.14232E-03 1673 0.999E-03 0.192E-03
RMM: 13 -0.107540489971E+04 -0.13303E-03 -0.13863E-03 1532 0.130E-02 0.270E-03
RMM: 14 -0.107540504009E+04 -0.14038E-03 -0.14846E-03 1660 0.164E-02 0.302E-03
RMM: 15 -0.107540517308E+04 -0.13299E-03 -0.13795E-03 1453 0.134E-02 0.359E-03
RMM: 16 -0.107540530755E+04 -0.13447E-03 -0.14041E-03 1523 0.151E-02 0.411E-03
RMM: 17 -0.107540543842E+04 -0.13087E-03 -0.13758E-03 1485 0.160E-02 0.459E-03
RMM: 18 -0.107540557149E+04 -0.13307E-03 -0.14000E-03 1607 0.167E-02 0.485E-03
RMM: 19 -0.107540570157E+04 -0.13008E-03 -0.13692E-03 1515 0.153E-02 0.522E-03
RMM: 20 -0.107540583019E+04 -0.12862E-03 -0.13449E-03 1459 0.147E-02 0.585E-03
RMM: 21 -0.107540595751E+04 -0.12732E-03 -0.13390E-03 1487 0.152E-02 0.656E-03
RMM: 22 -0.107540608315E+04 -0.12564E-03 -0.13192E-03 1439 0.146E-02 0.727E-03
RMM: 23 -0.107540620638E+04 -0.12323E-03 -0.12957E-03 1440 0.150E-02 0.806E-03
RMM: 24 -0.107540632924E+04 -0.12287E-03 -0.12991E-03 1469 0.158E-02 0.877E-03
RMM: 25 -0.107540645158E+04 -0.12233E-03 -0.13048E-03 1538 0.166E-02 0.947E-03
RMM: 26 -0.107540657110E+04 -0.11952E-03 -0.12604E-03 1409 0.149E-02 0.102E-02
RMM: 27 -0.107540668920E+04 -0.11810E-03 -0.12558E-03 1470 0.160E-02 0.109E-02
RMM: 28 -0.107540680709E+04 -0.11789E-03 -0.12500E-03 1485 0.160E-02 0.116E-02
RMM: 29 -0.107540692223E+04 -0.11514E-03 -0.12225E-03 1442 0.156E-02 0.123E-02
RMM: 30 -0.107540703601E+04 -0.11378E-03 -0.12093E-03 1439 0.158E-02 0.130E-02
RMM: 31 -0.107540714931E+04 -0.11330E-03 -0.12101E-03 1474 0.164E-02 0.137E-02
RMM: 32 -0.107540726016E+04 -0.11085E-03 -0.11775E-03 1415 0.155E-02 0.144E-02
RMM: 33 -0.107540737011E+04 -0.10995E-03 -0.11759E-03 1459 0.161E-02 0.150E-02
RMM: 34 -0.107540747886E+04 -0.10874E-03 -0.11621E-03 1473 0.158E-02 0.157E-02
RMM: 35 -0.107540758393E+04 -0.10507E-03 -0.11201E-03 1412 0.149E-02 0.164E-02
RMM: 36 -0.107540768951E+04 -0.10558E-03 -0.11280E-03 1446 0.158E-02 0.170E-02
RMM: 37 -0.107540779274E+04 -0.10324E-03 -0.11018E-03 1397 0.155E-02 0.177E-02
RMM: 38 -0.107540789523E+04 -0.10249E-03 -0.11015E-03 1447 0.160E-02 0.183E-02
RMM: 39 -0.107540799554E+04 -0.10031E-03 -0.10770E-03 1451 0.155E-02 0.189E-02
RMM: 40 -0.107540809480E+04 -0.99264E-04 -0.10640E-03 1423 0.154E-02 0.196E-02
RMM: 41 -0.107540819179E+04 -0.96981E-04 -0.10377E-03 1396 0.152E-02 0.202E-02
RMM: 42 -0.107540828880E+04 -0.97017E-04 -0.10443E-03 1439 0.156E-02 0.208E-02
RMM: 43 -0.107540838354E+04 -0.94733E-04 -0.10121E-03 1373 0.144E-02 0.214E-02
RMM: 44 -0.107540847593E+04 -0.92398E-04 -0.99131E-04 1384 0.146E-02
374 T= 750. E= -.10763236E+04 F= -.10754085E+04 E0= -.10753610E+04 EK= 0.15034E+02 SP= -.16E+02 SK= 0.15E-03
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107558700207E+04 -0.17862E+00 -0.11545E+00 3353 0.108E+00 0.347E-01
RMM: 2 -0.107559292737E+04 -0.59253E-02 -0.82368E-02 4144 0.290E-01 0.268E-01
RMM: 3 -0.107559405661E+04 -0.11292E-02 -0.19086E-02 4119 0.106E-01 0.222E-01
RMM: 4 -0.107559377048E+04 0.28613E-03 -0.50693E-03 3497 0.479E-02 0.124E-01
RMM: 5 -0.107559392707E+04 -0.15658E-03 -0.34727E-03 3136 0.321E-02 0.486E-02
RMM: 6 -0.107559402414E+04 -0.97071E-04 -0.17510E-03 2604 0.183E-02 0.341E-02
RMM: 7 -0.107559413502E+04 -0.11088E-03 -0.15188E-03 2070 0.124E-02 0.205E-02
RMM: 8 -0.107559426062E+04 -0.12560E-03 -0.14729E-03 2220 0.131E-02 0.729E-03
RMM: 9 -0.107559439183E+04 -0.13122E-03 -0.13525E-03 1803 0.942E-03 0.512E-03
RMM: 10 -0.107559451341E+04 -0.12158E-03 -0.12570E-03 1780 0.102E-02 0.315E-03
RMM: 11 -0.107559463562E+04 -0.12221E-03 -0.12730E-03 1906 0.126E-02 0.256E-03
RMM: 12 -0.107559475148E+04 -0.11586E-03 -0.12270E-03 1776 0.129E-02 0.148E-03
RMM: 13 -0.107559486387E+04 -0.11239E-03 -0.11831E-03 1539 0.124E-02 0.160E-03
RMM: 14 -0.107559497313E+04 -0.10926E-03 -0.11657E-03 1492 0.150E-02 0.219E-03
RMM: 15 -0.107559508202E+04 -0.10889E-03 -0.11693E-03 1503 0.158E-02 0.258E-03
RMM: 16 -0.107559518774E+04 -0.10571E-03 -0.11357E-03 1553 0.156E-02 0.306E-03
RMM: 17 -0.107559529136E+04 -0.10362E-03 -0.11083E-03 1451 0.147E-02 0.348E-03
RMM: 18 -0.107559539263E+04 -0.10127E-03 -0.11042E-03 1441 0.157E-02 0.392E-03
RMM: 19 -0.107559548807E+04 -0.95438E-04 -0.10803E-03 1492 0.159E-02 0.438E-03
RMM: 20 -0.107559558276E+04 -0.94694E-04 -0.10102E-03 1416 0.147E-02 0.485E-03
RMM: 21 -0.107559567682E+04 -0.94063E-04 -0.10152E-03 1480 0.156E-02 0.532E-03
RMM: 22 -0.107559576873E+04 -0.91909E-04 -0.99320E-04 1479 0.150E-02
375 T= 759. E= -.10763371E+04 F= -.10755958E+04 E0= -.10755480E+04 EK= 0.15206E+02 SP= -.16E+02 SK= 0.34E-03
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107547071489E+04 0.12496E+00 -0.11876E+00 3335 0.112E+00 0.336E-01
RMM: 2 -0.107547734718E+04 -0.66323E-02 -0.86738E-02 4162 0.308E-01 0.259E-01
RMM: 3 -0.107547862612E+04 -0.12789E-02 -0.20033E-02 4207 0.109E-01 0.223E-01
RMM: 4 -0.107547834308E+04 0.28305E-03 -0.44083E-03 3558 0.475E-02 0.134E-01
RMM: 5 -0.107547844842E+04 -0.10534E-03 -0.34653E-03 3070 0.335E-02 0.442E-02
RMM: 6 -0.107547850819E+04 -0.59770E-04 -0.15002E-03 2622 0.184E-02 0.300E-02
RMM: 7 -0.107547861047E+04 -0.10228E-03 -0.13031E-03 2028 0.119E-02 0.184E-02
RMM: 8 -0.107547871479E+04 -0.10432E-03 -0.12121E-03 2104 0.117E-02 0.784E-03
RMM: 9 -0.107547882465E+04 -0.10985E-03 -0.11365E-03 1792 0.941E-03 0.522E-03
RMM: 10 -0.107547892828E+04 -0.10364E-03 -0.10752E-03 1820 0.110E-02 0.287E-03
RMM: 11 -0.107547903565E+04 -0.10737E-03 -0.11073E-03 1940 0.126E-02 0.237E-03
RMM: 12 -0.107547913642E+04 -0.10076E-03 -0.10662E-03 1813 0.128E-02 0.143E-03
RMM: 13 -0.107547923504E+04 -0.98628E-04 -0.10388E-03 1566 0.124E-02 0.168E-03
RMM: 14 -0.107547932996E+04 -0.94917E-04 -0.10169E-03 1522 0.147E-02 0.227E-03
RMM: 15 -0.107547942651E+04 -0.96547E-04 -0.10328E-03 1504 0.156E-02 0.307E-03
RMM: 16 -0.107547952024E+04 -0.93732E-04 -0.10114E-03 1560 0.160E-02 0.372E-03
RMM: 17 -0.107547961359E+04 -0.93352E-04 -0.99711E-04 1469 0.153E-02
376 T= 752. E= -.10763206E+04 F= -.10754796E+04 E0= -.10754337E+04 EK= 0.15075E+02 SP= -.16E+02 SK= 0.25E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107526425574E+04 0.21526E+00 -0.12816E+00 3365 0.116E+00 0.346E-01
RMM: 2 -0.107527088480E+04 -0.66291E-02 -0.87803E-02 4103 0.322E-01 0.258E-01
RMM: 3 -0.107527193134E+04 -0.10465E-02 -0.18354E-02 4109 0.114E-01 0.165E-01
RMM: 4 -0.107527201451E+04 -0.83174E-04 -0.41455E-03 3496 0.517E-02 0.561E-02
RMM: 5 -0.107527215672E+04 -0.14220E-03 -0.19923E-03 3191 0.274E-02 0.433E-02
RMM: 6 -0.107527215923E+04 -0.25129E-05 -0.10189E-03 2096 0.158E-02 0.229E-02
RMM: 7 -0.107527224662E+04 -0.87391E-04 -0.10189E-03 2176 0.152E-02 0.933E-03
RMM: 8 -0.107527232435E+04 -0.77732E-04 -0.81798E-04 1914 0.107E-02
377 T= 740. E= -.10763031E+04 F= -.10752723E+04 E0= -.10752285E+04 EK= 0.14828E+02 SP= -.16E+02 SK= 0.57E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107520014504E+04 0.72102E-01 -0.11045E+00 3375 0.110E+00 0.286E-01
RMM: 2 -0.107520604222E+04 -0.58972E-02 -0.71866E-02 4092 0.298E-01 0.215E-01
RMM: 3 -0.107520700746E+04 -0.96524E-03 -0.14256E-02 4044 0.108E-01 0.149E-01
RMM: 4 -0.107520732148E+04 -0.31402E-03 -0.47216E-03 3558 0.519E-02 0.707E-02
RMM: 5 -0.107520734260E+04 -0.21118E-04 -0.23082E-03 3065 0.274E-02 0.391E-02
RMM: 6 -0.107520741930E+04 -0.76702E-04 -0.12880E-03 2142 0.164E-02 0.232E-02
RMM: 7 -0.107520754645E+04 -0.12715E-03 -0.13708E-03 2290 0.164E-02 0.931E-03
RMM: 8 -0.107520765125E+04 -0.10480E-03 -0.10978E-03 1836 0.998E-03 0.665E-03
RMM: 9 -0.107520775555E+04 -0.10430E-03 -0.10754E-03 1727 0.103E-02 0.504E-03
RMM: 10 -0.107520786081E+04 -0.10527E-03 -0.11057E-03 2164 0.160E-02 0.390E-03
RMM: 11 -0.107520796340E+04 -0.10259E-03 -0.10832E-03 1888 0.129E-02 0.250E-03
RMM: 12 -0.107520805998E+04 -0.96576E-04 -0.10253E-03 2001 0.130E-02 0.191E-03
RMM: 13 -0.107520815457E+04 -0.94595E-04 -0.10053E-03 1713 0.129E-02 0.245E-03
RMM: 14 -0.107520824728E+04 -0.92708E-04 -0.10035E-03 1647 0.158E-02 0.304E-03
RMM: 15 -0.107520834181E+04 -0.94533E-04 -0.10321E-03 1597 0.169E-02 0.358E-03
RMM: 16 -0.107520843392E+04 -0.92108E-04 -0.10102E-03 1577 0.159E-02 0.412E-03
RMM: 17 -0.107520852415E+04 -0.90234E-04 -0.99235E-04 1511 0.149E-02
378 T= 733. E= -.10763077E+04 F= -.10752085E+04 E0= -.10751660E+04 EK= 0.14684E+02 SP= -.16E+02 SK= 0.91E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107521188938E+04 -0.34555E-02 -0.10407E+00 3362 0.106E+00 0.273E-01
RMM: 2 -0.107521738842E+04 -0.54990E-02 -0.68598E-02 4064 0.288E-01 0.208E-01
RMM: 3 -0.107521815076E+04 -0.76235E-03 -0.12947E-02 3970 0.102E-01 0.152E-01
RMM: 4 -0.107521842660E+04 -0.27584E-03 -0.45275E-03 3482 0.482E-02 0.815E-02
RMM: 5 -0.107521835653E+04 0.70064E-04 -0.20633E-03 3047 0.274E-02 0.412E-02
RMM: 6 -0.107521839812E+04 -0.41585E-04 -0.10208E-03 2220 0.159E-02 0.257E-02
RMM: 7 -0.107521849284E+04 -0.94723E-04 -0.10443E-03 2258 0.150E-02 0.127E-02
RMM: 8 -0.107521856649E+04 -0.73652E-04 -0.82267E-04 1864 0.996E-03
379 T= 729. E= -.10763101E+04 F= -.10752186E+04 E0= -.10751771E+04 EK= 0.14602E+02 SP= -.16E+02 SK= 0.12E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107522409682E+04 -0.56040E-02 -0.12086E+00 3343 0.113E+00 0.323E-01
RMM: 2 -0.107522968201E+04 -0.55852E-02 -0.75592E-02 4097 0.303E-01 0.250E-01
RMM: 3 -0.107523004858E+04 -0.36657E-03 -0.14380E-02 3984 0.108E-01 0.145E-01
RMM: 4 -0.107523019662E+04 -0.14804E-03 -0.41923E-03 3437 0.503E-02 0.548E-02
RMM: 5 -0.107523031976E+04 -0.12314E-03 -0.15601E-03 2964 0.250E-02 0.468E-02
RMM: 6 -0.107523032103E+04 -0.12747E-05 -0.80092E-04 2200 0.161E-02
380 T= 725. E= -.10763038E+04 F= -.10752303E+04 E0= -.10751905E+04 EK= 0.14517E+02 SP= -.16E+02 SK= 0.16E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107526597333E+04 -0.35654E-01 -0.11888E+00 3444 0.111E+00 0.333E-01
RMM: 2 -0.107527120492E+04 -0.52316E-02 -0.70815E-02 4046 0.281E-01 0.250E-01
RMM: 3 -0.107527158095E+04 -0.37603E-03 -0.15153E-02 3883 0.106E-01 0.127E-01
RMM: 4 -0.107527193490E+04 -0.35395E-03 -0.44183E-03 3582 0.489E-02 0.725E-02
RMM: 5 -0.107527189759E+04 0.37309E-04 -0.14568E-03 2736 0.231E-02 0.533E-02
RMM: 6 -0.107527195578E+04 -0.58187E-04 -0.10897E-03 2611 0.178E-02 0.171E-02
RMM: 7 -0.107527201685E+04 -0.61074E-04 -0.75762E-04 1962 0.120E-02
381 T= 720. E= -.10763170E+04 F= -.10752720E+04 E0= -.10752340E+04 EK= 0.14432E+02 SP= -.15E+02 SK= 0.19E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107515285260E+04 0.11910E+00 -0.10686E+00 3511 0.106E+00 0.302E-01
RMM: 2 -0.107515832801E+04 -0.54754E-02 -0.66182E-02 3937 0.270E-01 0.220E-01
RMM: 3 -0.107515908235E+04 -0.75434E-03 -0.13727E-02 3786 0.100E-01 0.121E-01
RMM: 4 -0.107515932969E+04 -0.24734E-03 -0.37212E-03 3494 0.452E-02 0.511E-02
RMM: 5 -0.107515940908E+04 -0.79393E-04 -0.14580E-03 2797 0.218E-02 0.400E-02
RMM: 6 -0.107515943707E+04 -0.27992E-04 -0.82370E-04 2118 0.145E-02
382 T= 708. E= -.10763278E+04 F= -.10751594E+04 E0= -.10751224E+04 EK= 0.14188E+02 SP= -.15E+02 SK= 0.21E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107479436664E+04 0.36504E+00 -0.13920E+00 3383 0.122E+00 0.361E-01
RMM: 2 -0.107480133584E+04 -0.69692E-02 -0.90577E-02 4058 0.334E-01 0.266E-01
RMM: 3 -0.107480228194E+04 -0.94610E-03 -0.18718E-02 4104 0.124E-01 0.153E-01
RMM: 4 -0.107480272730E+04 -0.44536E-03 -0.56056E-03 3700 0.573E-02 0.922E-02
RMM: 5 -0.107480248981E+04 0.23749E-03 -0.16798E-03 3055 0.270E-02 0.482E-02
RMM: 6 -0.107480255804E+04 -0.68226E-04 -0.10866E-03 2632 0.177E-02 0.209E-02
RMM: 7 -0.107480261555E+04 -0.57512E-04 -0.78041E-04 1985 0.120E-02
383 T= 686. E= -.10762935E+04 F= -.10748026E+04 E0= -.10747656E+04 EK= 0.13745E+02 SP= -.15E+02 SK= 0.20E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107467028618E+04 0.13227E+00 -0.17442E+00 3402 0.133E+00 0.455E-01
RMM: 2 -0.107467727946E+04 -0.69933E-02 -0.10647E-01 4056 0.360E-01 0.327E-01
RMM: 3 -0.107467770629E+04 -0.42683E-03 -0.22706E-02 3983 0.139E-01 0.152E-01
RMM: 4 -0.107467830957E+04 -0.60328E-03 -0.71103E-03 3929 0.658E-02 0.110E-01
RMM: 5 -0.107467795838E+04 0.35119E-03 -0.15931E-03 2988 0.279E-02 0.705E-02
RMM: 6 -0.107467805597E+04 -0.97593E-04 -0.16145E-03 2858 0.229E-02 0.262E-02
RMM: 7 -0.107467809585E+04 -0.39884E-04 -0.81598E-04 2107 0.144E-02
384 T= 675. E= -.10762738E+04 F= -.10746781E+04 E0= -.10746402E+04 EK= 0.13531E+02 SP= -.15E+02 SK= 0.16E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107504310838E+04 -0.36505E+00 -0.13182E+00 3376 0.116E+00 0.382E-01
RMM: 2 -0.107504840064E+04 -0.52923E-02 -0.78532E-02 3995 0.304E-01 0.281E-01
RMM: 3 -0.107504881219E+04 -0.41154E-03 -0.17557E-02 3918 0.118E-01 0.127E-01
RMM: 4 -0.107504930496E+04 -0.49278E-03 -0.53736E-03 3743 0.547E-02 0.887E-02
RMM: 5 -0.107504914225E+04 0.16271E-03 -0.16390E-03 2788 0.246E-02 0.581E-02
RMM: 6 -0.107504925139E+04 -0.10914E-03 -0.15494E-03 2720 0.196E-02 0.182E-02
RMM: 7 -0.107504933276E+04 -0.81375E-04 -0.10128E-03 1975 0.129E-02 0.127E-02
RMM: 8 -0.107504942128E+04 -0.88517E-04 -0.98992E-04 1976 0.122E-02
385 T= 687. E= -.10763147E+04 F= -.10750494E+04 E0= -.10750096E+04 EK= 0.13765E+02 SP= -.15E+02 SK= 0.13E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107539903835E+04 -0.34971E+00 -0.11659E+00 3390 0.108E+00 0.364E-01
RMM: 2 -0.107540446887E+04 -0.54305E-02 -0.71998E-02 4049 0.279E-01 0.269E-01
RMM: 3 -0.107540502787E+04 -0.55900E-03 -0.16270E-02 3862 0.105E-01 0.119E-01
RMM: 4 -0.107540548105E+04 -0.45318E-03 -0.51170E-03 3539 0.475E-02 0.748E-02
RMM: 5 -0.107540547849E+04 0.25591E-05 -0.19988E-03 2693 0.222E-02 0.551E-02
RMM: 6 -0.107540558995E+04 -0.11146E-03 -0.16995E-03 2566 0.175E-02 0.141E-02
RMM: 7 -0.107540571262E+04 -0.12267E-03 -0.13453E-03 1972 0.120E-02 0.985E-03
RMM: 8 -0.107540583256E+04 -0.11994E-03 -0.12673E-03 1901 0.115E-02 0.796E-03
RMM: 9 -0.107540595408E+04 -0.12152E-03 -0.12632E-03 1870 0.125E-02 0.542E-03
RMM: 10 -0.107540607016E+04 -0.11608E-03 -0.12187E-03 1965 0.125E-02 0.164E-03
RMM: 11 -0.107540618426E+04 -0.11410E-03 -0.11939E-03 1902 0.126E-02 0.142E-03
RMM: 12 -0.107540629478E+04 -0.11053E-03 -0.11582E-03 1816 0.126E-02 0.136E-03
RMM: 13 -0.107540640139E+04 -0.10661E-03 -0.11326E-03 1606 0.138E-02 0.167E-03
RMM: 14 -0.107540650833E+04 -0.10694E-03 -0.11566E-03 1609 0.160E-02 0.217E-03
RMM: 15 -0.107540661069E+04 -0.10236E-03 -0.10831E-03 1462 0.143E-02 0.246E-03
RMM: 16 -0.107540671286E+04 -0.10218E-03 -0.11062E-03 1595 0.169E-02 0.297E-03
RMM: 17 -0.107540681337E+04 -0.10050E-03 -0.10840E-03 1540 0.163E-02 0.339E-03
RMM: 18 -0.107540691071E+04 -0.97340E-04 -0.10459E-03 1485 0.157E-02 0.385E-03
RMM: 19 -0.107540700759E+04 -0.96884E-04 -0.10408E-03 1497 0.166E-02 0.432E-03
RMM: 20 -0.107540710333E+04 -0.95744E-04 -0.10322E-03 1519 0.167E-02 0.469E-03
RMM: 21 -0.107540719936E+04 -0.96021E-04 -0.10356E-03 1541 0.164E-02 0.509E-03
RMM: 22 -0.107540729075E+04 -0.91397E-04 -0.97442E-04 1407 0.140E-02
386 T= 699. E= -.10763519E+04 F= -.10754073E+04 E0= -.10753652E+04 EK= 0.13996E+02 SP= -.15E+02 SK= 0.12E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107530821891E+04 0.98980E-01 -0.12278E+00 3369 0.112E+00 0.341E-01
RMM: 2 -0.107531450579E+04 -0.62869E-02 -0.81546E-02 4088 0.303E-01 0.250E-01
RMM: 3 -0.107531566218E+04 -0.11564E-02 -0.18931E-02 4117 0.113E-01 0.153E-01
RMM: 4 -0.107531602687E+04 -0.36469E-03 -0.52038E-03 3575 0.509E-02 0.892E-02
RMM: 5 -0.107531591150E+04 0.11537E-03 -0.23161E-03 2984 0.269E-02 0.439E-02
RMM: 6 -0.107531599516E+04 -0.83659E-04 -0.13769E-03 2209 0.159E-02 0.203E-02
RMM: 7 -0.107531611240E+04 -0.11724E-03 -0.13092E-03 2071 0.144E-02 0.919E-03
RMM: 8 -0.107531621975E+04 -0.10735E-03 -0.11338E-03 1898 0.108E-02 0.531E-03
RMM: 9 -0.107531632441E+04 -0.10466E-03 -0.10868E-03 1769 0.112E-02 0.357E-03
RMM: 10 -0.107531643010E+04 -0.10569E-03 -0.11512E-03 2147 0.167E-02 0.239E-03
RMM: 11 -0.107531652944E+04 -0.99332E-04 -0.10455E-03 1825 0.116E-02 0.174E-03
RMM: 12 -0.107531662194E+04 -0.92502E-04 -0.98817E-04 1928 0.137E-02
387 T= 690. E= -.10763361E+04 F= -.10753166E+04 E0= -.10752733E+04 EK= 0.13833E+02 SP= -.15E+02 SK= 0.11E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107506224899E+04 0.25428E+00 -0.13440E+00 3375 0.116E+00 0.358E-01
RMM: 2 -0.107506892176E+04 -0.66728E-02 -0.90517E-02 4125 0.324E-01 0.264E-01
RMM: 3 -0.107507024222E+04 -0.13205E-02 -0.21543E-02 4178 0.117E-01 0.162E-01
RMM: 4 -0.107507058229E+04 -0.34006E-03 -0.56165E-03 3620 0.525E-02 0.857E-02
RMM: 5 -0.107507051995E+04 0.62334E-04 -0.27730E-03 3032 0.278E-02 0.432E-02
RMM: 6 -0.107507062239E+04 -0.10244E-03 -0.16982E-03 2255 0.162E-02 0.220E-02
RMM: 7 -0.107507077060E+04 -0.14820E-03 -0.16402E-03 2106 0.144E-02 0.127E-02
RMM: 8 -0.107507089917E+04 -0.12857E-03 -0.13945E-03 1894 0.113E-02 0.553E-03
RMM: 9 -0.107507103115E+04 -0.13199E-03 -0.13676E-03 1856 0.121E-02 0.364E-03
RMM: 10 -0.107507115736E+04 -0.12620E-03 -0.13589E-03 2146 0.168E-02 0.199E-03
RMM: 11 -0.107507127888E+04 -0.12153E-03 -0.12695E-03 1855 0.125E-02 0.167E-03
RMM: 12 -0.107507139036E+04 -0.11148E-03 -0.11866E-03 1960 0.138E-02 0.177E-03
RMM: 13 -0.107507150008E+04 -0.10972E-03 -0.11557E-03 1600 0.128E-02 0.238E-03
RMM: 14 -0.107507160138E+04 -0.10129E-03 -0.10858E-03 1574 0.153E-02 0.296E-03
RMM: 15 -0.107507170347E+04 -0.10209E-03 -0.11023E-03 1564 0.161E-02 0.355E-03
RMM: 16 -0.107507180052E+04 -0.97050E-04 -0.10522E-03 1592 0.162E-02 0.416E-03
RMM: 17 -0.107507189372E+04 -0.93200E-04 -0.99334E-04 1430 0.138E-02
388 T= 676. E= -.10762998E+04 F= -.10750719E+04 E0= -.10750279E+04 EK= 0.13544E+02 SP= -.15E+02 SK= 0.84E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107516784512E+04 -0.96045E-01 -0.10457E+00 3415 0.103E+00 0.318E-01
RMM: 2 -0.107517330403E+04 -0.54589E-02 -0.72682E-02 4093 0.285E-01 0.244E-01
RMM: 3 -0.107517444587E+04 -0.11418E-02 -0.16584E-02 4115 0.105E-01 0.187E-01
RMM: 4 -0.107517445685E+04 -0.10981E-04 -0.50772E-03 3521 0.472E-02 0.107E-01
RMM: 5 -0.107517447896E+04 -0.22104E-04 -0.26596E-03 3054 0.284E-02 0.396E-02
RMM: 6 -0.107517461695E+04 -0.13799E-03 -0.17441E-03 2317 0.160E-02 0.272E-02
RMM: 7 -0.107517473274E+04 -0.11579E-03 -0.14636E-03 1988 0.116E-02 0.133E-02
RMM: 8 -0.107517486913E+04 -0.13639E-03 -0.14382E-03 1980 0.118E-02 0.522E-03
RMM: 9 -0.107517499870E+04 -0.12958E-03 -0.13440E-03 1794 0.107E-02 0.379E-03
RMM: 10 -0.107517512578E+04 -0.12708E-03 -0.13176E-03 1874 0.118E-02 0.219E-03
RMM: 11 -0.107517524723E+04 -0.12145E-03 -0.12731E-03 1962 0.131E-02 0.148E-03
RMM: 12 -0.107517536640E+04 -0.11917E-03 -0.12529E-03 1827 0.133E-02 0.142E-03
RMM: 13 -0.107517548103E+04 -0.11463E-03 -0.12122E-03 1585 0.138E-02 0.211E-03
RMM: 14 -0.107517559290E+04 -0.11187E-03 -0.11883E-03 1514 0.150E-02 0.271E-03
RMM: 15 -0.107517570357E+04 -0.11066E-03 -0.11868E-03 1532 0.163E-02 0.341E-03
RMM: 16 -0.107517581101E+04 -0.10744E-03 -0.11413E-03 1504 0.153E-02 0.393E-03
RMM: 17 -0.107517591583E+04 -0.10482E-03 -0.11213E-03 1537 0.162E-02 0.455E-03
RMM: 18 -0.107517601871E+04 -0.10289E-03 -0.10997E-03 1484 0.160E-02 0.514E-03
RMM: 19 -0.107517611945E+04 -0.10074E-03 -0.10772E-03 1466 0.158E-02 0.573E-03
RMM: 20 -0.107517621692E+04 -0.97471E-04 -0.10482E-03 1433 0.157E-02 0.630E-03
RMM: 21 -0.107517631377E+04 -0.96844E-04 -0.10466E-03 1535 0.164E-02 0.683E-03
RMM: 22 -0.107517640827E+04 -0.94505E-04 -0.10165E-03 1466 0.153E-02 0.737E-03
RMM: 23 -0.107517650013E+04 -0.91859E-04 -0.99228E-04 1436 0.156E-02
389 T= 677. E= -.10763088E+04 F= -.10751765E+04 E0= -.10751326E+04 EK= 0.13573E+02 SP= -.15E+02 SK= 0.58E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107550023938E+04 -0.32383E+00 -0.81430E-01 3449 0.909E-01 0.239E-01
RMM: 2 -0.107550477633E+04 -0.45369E-02 -0.56262E-02 4045 0.243E-01 0.185E-01
RMM: 3 -0.107550564490E+04 -0.86857E-03 -0.12506E-02 3823 0.882E-02 0.140E-01
RMM: 4 -0.107550592388E+04 -0.27899E-03 -0.46134E-03 3348 0.411E-02 0.792E-02
RMM: 5 -0.107550601256E+04 -0.88679E-04 -0.28151E-03 2901 0.258E-02 0.330E-02
RMM: 6 -0.107550617352E+04 -0.16096E-03 -0.19317E-03 2113 0.147E-02 0.217E-02
RMM: 7 -0.107550634963E+04 -0.17611E-03 -0.18677E-03 2195 0.138E-02 0.104E-02
RMM: 8 -0.107550651338E+04 -0.16376E-03 -0.17023E-03 1891 0.997E-03 0.659E-03
RMM: 9 -0.107550666941E+04 -0.15603E-03 -0.16088E-03 1749 0.980E-03 0.406E-03
RMM: 10 -0.107550682591E+04 -0.15650E-03 -0.16218E-03 1972 0.132E-02 0.305E-03
RMM: 11 -0.107550697735E+04 -0.15144E-03 -0.15681E-03 1973 0.127E-02 0.192E-03
RMM: 12 -0.107550712252E+04 -0.14517E-03 -0.15009E-03 1792 0.120E-02 0.161E-03
RMM: 13 -0.107550726266E+04 -0.14014E-03 -0.14668E-03 1573 0.138E-02 0.225E-03
RMM: 14 -0.107550740043E+04 -0.13776E-03 -0.14434E-03 1502 0.147E-02 0.322E-03
RMM: 15 -0.107550753406E+04 -0.13363E-03 -0.14086E-03 1496 0.152E-02 0.396E-03
RMM: 16 -0.107550766624E+04 -0.13218E-03 -0.13909E-03 1517 0.152E-02 0.472E-03
RMM: 17 -0.107550779344E+04 -0.12720E-03 -0.13357E-03 1456 0.147E-02 0.560E-03
RMM: 18 -0.107550791784E+04 -0.12441E-03 -0.13158E-03 1481 0.156E-02 0.621E-03
RMM: 19 -0.107550803940E+04 -0.12155E-03 -0.12821E-03 1451 0.152E-02 0.704E-03
RMM: 20 -0.107550815813E+04 -0.11873E-03 -0.12522E-03 1442 0.148E-02 0.769E-03
RMM: 21 -0.107550827306E+04 -0.11493E-03 -0.12176E-03 1439 0.153E-02 0.843E-03
RMM: 22 -0.107550838615E+04 -0.11309E-03 -0.12041E-03 1433 0.154E-02 0.908E-03
RMM: 23 -0.107550849691E+04 -0.11076E-03 -0.11801E-03 1469 0.156E-02 0.979E-03
RMM: 24 -0.107550860481E+04 -0.10790E-03 -0.11460E-03 1423 0.147E-02 0.104E-02
RMM: 25 -0.107550870947E+04 -0.10466E-03 -0.11139E-03 1423 0.148E-02 0.110E-02
RMM: 26 -0.107550881231E+04 -0.10284E-03 -0.10979E-03 1458 0.152E-02 0.117E-02
RMM: 27 -0.107550891267E+04 -0.10036E-03 -0.10688E-03 1423 0.149E-02 0.123E-02
RMM: 28 -0.107550901144E+04 -0.98766E-04 -0.10595E-03 1456 0.154E-02 0.129E-02
RMM: 29 -0.107550910647E+04 -0.95028E-04 -0.10163E-03 1388 0.149E-02 0.134E-02
RMM: 30 -0.107550920124E+04 -0.94770E-04 -0.10201E-03 1421 0.157E-02 0.140E-02
RMM: 31 -0.107550929194E+04 -0.90706E-04 -0.97819E-04 1415 0.153E-02
390 T= 690. E= -.10763387E+04 F= -.10755093E+04 E0= -.10754659E+04 EK= 0.13820E+02 SP= -.15E+02 SK= 0.41E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107564867436E+04 -0.13947E+00 -0.10803E+00 3406 0.101E+00 0.311E-01
RMM: 2 -0.107565392620E+04 -0.52518E-02 -0.70950E-02 4083 0.272E-01 0.242E-01
RMM: 3 -0.107565474229E+04 -0.81609E-03 -0.15633E-02 3963 0.983E-02 0.186E-01
RMM: 4 -0.107565465063E+04 0.91664E-04 -0.51289E-03 3427 0.465E-02 0.104E-01
RMM: 5 -0.107565467968E+04 -0.29052E-04 -0.24768E-03 2971 0.268E-02 0.462E-02
RMM: 6 -0.107565480882E+04 -0.12915E-03 -0.15672E-03 2295 0.157E-02 0.323E-02
RMM: 7 -0.107565490618E+04 -0.97359E-04 -0.13398E-03 2042 0.125E-02 0.122E-02
RMM: 8 -0.107565503013E+04 -0.12395E-03 -0.13031E-03 2071 0.133E-02 0.463E-03
RMM: 9 -0.107565515047E+04 -0.12034E-03 -0.12532E-03 1878 0.117E-02 0.301E-03
RMM: 10 -0.107565526718E+04 -0.11671E-03 -0.12271E-03 1969 0.128E-02 0.182E-03
RMM: 11 -0.107565537946E+04 -0.11227E-03 -0.11779E-03 1932 0.125E-02 0.124E-03
RMM: 12 -0.107565548756E+04 -0.10811E-03 -0.11410E-03 1782 0.135E-02 0.135E-03
RMM: 13 -0.107565559446E+04 -0.10689E-03 -0.11514E-03 1632 0.155E-02 0.199E-03
RMM: 14 -0.107565569959E+04 -0.10513E-03 -0.11262E-03 1578 0.158E-02 0.262E-03
RMM: 15 -0.107565580257E+04 -0.10298E-03 -0.11036E-03 1525 0.155E-02 0.320E-03
RMM: 16 -0.107565590276E+04 -0.10020E-03 -0.10725E-03 1500 0.155E-02 0.383E-03
RMM: 17 -0.107565600186E+04 -0.99091E-04 -0.10623E-03 1540 0.159E-02 0.442E-03
RMM: 18 -0.107565609868E+04 -0.96825E-04 -0.10388E-03 1494 0.156E-02 0.502E-03
RMM: 19 -0.107565619405E+04 -0.95368E-04 -0.10245E-03 1479 0.156E-02 0.562E-03
RMM: 20 -0.107565628759E+04 -0.93546E-04 -0.10036E-03 1468 0.153E-02 0.623E-03
RMM: 21 -0.107565637858E+04 -0.90984E-04 -0.97850E-04 1466 0.148E-02
391 T= 695. E= -.10763387E+04 F= -.10756564E+04 E0= -.10756132E+04 EK= 0.13918E+02 SP= -.15E+02 SK= 0.34E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107558423377E+04 0.72054E-01 -0.13259E+00 3425 0.114E+00 0.349E-01
RMM: 2 -0.107559023212E+04 -0.59984E-02 -0.86190E-02 4070 0.310E-01 0.271E-01
RMM: 3 -0.107559086002E+04 -0.62790E-03 -0.17896E-02 4015 0.112E-01 0.169E-01
RMM: 4 -0.107559139854E+04 -0.53851E-03 -0.69297E-03 3479 0.545E-02 0.106E-01
RMM: 5 -0.107559114093E+04 0.25761E-03 -0.28600E-03 3105 0.290E-02 0.561E-02
RMM: 6 -0.107559127682E+04 -0.13589E-03 -0.19412E-03 2494 0.169E-02 0.253E-02
RMM: 7 -0.107559144029E+04 -0.16347E-03 -0.17094E-03 2040 0.127E-02 0.838E-03
RMM: 8 -0.107559159469E+04 -0.15440E-03 -0.15812E-03 1877 0.991E-03 0.629E-03
RMM: 9 -0.107559174319E+04 -0.14849E-03 -0.15066E-03 1792 0.100E-02 0.296E-03
RMM: 10 -0.107559189360E+04 -0.15041E-03 -0.15842E-03 2130 0.151E-02 0.197E-03
RMM: 11 -0.107559203563E+04 -0.14203E-03 -0.14668E-03 1792 0.113E-02 0.209E-03
RMM: 12 -0.107559217744E+04 -0.14181E-03 -0.14810E-03 1891 0.142E-02 0.305E-03
RMM: 13 -0.107559231423E+04 -0.13679E-03 -0.14401E-03 1634 0.150E-02 0.319E-03
RMM: 14 -0.107559245158E+04 -0.13736E-03 -0.14509E-03 1617 0.159E-02 0.354E-03
RMM: 15 -0.107559258325E+04 -0.13166E-03 -0.13833E-03 1527 0.152E-02 0.374E-03
RMM: 16 -0.107559271444E+04 -0.13119E-03 -0.13867E-03 1581 0.158E-02 0.395E-03
RMM: 17 -0.107559284276E+04 -0.12832E-03 -0.13575E-03 1560 0.154E-02 0.430E-03
RMM: 18 -0.107559296675E+04 -0.12399E-03 -0.12997E-03 1412 0.138E-02 0.496E-03
RMM: 19 -0.107559308890E+04 -0.12215E-03 -0.12984E-03 1547 0.158E-02 0.567E-03
RMM: 20 -0.107559320888E+04 -0.11998E-03 -0.12712E-03 1511 0.152E-02 0.621E-03
RMM: 21 -0.107559332609E+04 -0.11721E-03 -0.12446E-03 1481 0.153E-02 0.697E-03
RMM: 22 -0.107559344124E+04 -0.11515E-03 -0.12225E-03 1460 0.151E-02 0.771E-03
RMM: 23 -0.107559355453E+04 -0.11329E-03 -0.12056E-03 1490 0.159E-02 0.841E-03
RMM: 24 -0.107559366626E+04 -0.11173E-03 -0.11925E-03 1497 0.157E-02 0.912E-03
RMM: 25 -0.107559377531E+04 -0.10905E-03 -0.11625E-03 1474 0.151E-02 0.981E-03
RMM: 26 -0.107559388279E+04 -0.10747E-03 -0.11409E-03 1443 0.149E-02 0.105E-02
RMM: 27 -0.107559398737E+04 -0.10458E-03 -0.11185E-03 1489 0.155E-02 0.112E-02
RMM: 28 -0.107559409185E+04 -0.10448E-03 -0.11150E-03 1450 0.155E-02 0.119E-02
RMM: 29 -0.107559419225E+04 -0.10039E-03 -0.10704E-03 1417 0.150E-02 0.125E-02
RMM: 30 -0.107559429290E+04 -0.10066E-03 -0.10854E-03 1489 0.165E-02 0.132E-02
RMM: 31 -0.107559439065E+04 -0.97745E-04 -0.10466E-03 1436 0.155E-02 0.139E-02
RMM: 32 -0.107559448812E+04 -0.97471E-04 -0.10476E-03 1444 0.155E-02 0.145E-02
RMM: 33 -0.107559458227E+04 -0.94148E-04 -0.10090E-03 1398 0.151E-02 0.151E-02
RMM: 34 -0.107559467526E+04 -0.92995E-04 -0.10042E-03 1440 0.159E-02 0.158E-02
RMM: 35 -0.107559476736E+04 -0.92098E-04 -0.99454E-04 1438 0.160E-02
392 T= 690. E= -.10763268E+04 F= -.10755948E+04 E0= -.10755509E+04 EK= 0.13822E+02 SP= -.15E+02 SK= 0.27E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107547601134E+04 0.11866E+00 -0.12651E+00 3397 0.114E+00 0.332E-01
RMM: 2 -0.107548243483E+04 -0.64235E-02 -0.85510E-02 4075 0.315E-01 0.248E-01
RMM: 3 -0.107548322118E+04 -0.78635E-03 -0.16657E-02 3933 0.113E-01 0.153E-01
RMM: 4 -0.107548357654E+04 -0.35536E-03 -0.54745E-03 3478 0.533E-02 0.750E-02
RMM: 5 -0.107548364532E+04 -0.68783E-04 -0.26265E-03 3105 0.276E-02 0.511E-02
RMM: 6 -0.107548372405E+04 -0.78724E-04 -0.14547E-03 2160 0.159E-02 0.262E-02
RMM: 7 -0.107548386613E+04 -0.14208E-03 -0.15388E-03 2144 0.150E-02 0.814E-03
RMM: 8 -0.107548398985E+04 -0.12372E-03 -0.12739E-03 1907 0.103E-02 0.598E-03
RMM: 9 -0.107548411567E+04 -0.12582E-03 -0.12977E-03 1845 0.117E-02 0.448E-03
RMM: 10 -0.107548423708E+04 -0.12141E-03 -0.13167E-03 2278 0.182E-02 0.236E-03
RMM: 11 -0.107548435722E+04 -0.12014E-03 -0.12547E-03 1861 0.122E-02 0.175E-03
RMM: 12 -0.107548446819E+04 -0.11097E-03 -0.11658E-03 1940 0.140E-02 0.196E-03
RMM: 13 -0.107548458269E+04 -0.11451E-03 -0.12273E-03 1679 0.158E-02 0.259E-03
RMM: 14 -0.107548469127E+04 -0.10858E-03 -0.11644E-03 1593 0.161E-02 0.307E-03
RMM: 15 -0.107548480013E+04 -0.10886E-03 -0.11773E-03 1579 0.162E-02 0.364E-03
RMM: 16 -0.107548490470E+04 -0.10456E-03 -0.11132E-03 1582 0.153E-02 0.420E-03
RMM: 17 -0.107548501001E+04 -0.10531E-03 -0.11210E-03 1546 0.149E-02 0.483E-03
RMM: 18 -0.107548511073E+04 -0.10073E-03 -0.10794E-03 1511 0.155E-02 0.533E-03
RMM: 19 -0.107548521288E+04 -0.10214E-03 -0.11022E-03 1559 0.163E-02 0.593E-03
RMM: 20 -0.107548531012E+04 -0.97240E-04 -0.10469E-03 1465 0.154E-02 0.647E-03
RMM: 21 -0.107548540758E+04 -0.97463E-04 -0.10471E-03 1499 0.154E-02 0.697E-03
RMM: 22 -0.107548550301E+04 -0.95428E-04 -0.10235E-03 1477 0.154E-02 0.759E-03
RMM: 23 -0.107548559891E+04 -0.95905E-04 -0.10394E-03 1489 0.159E-02 0.812E-03
RMM: 24 -0.107548569010E+04 -0.91188E-04 -0.98617E-04 1455 0.151E-02
393 T= 682. E= -.10763331E+04 F= -.10754857E+04 E0= -.10754412E+04 EK= 0.13668E+02 SP= -.15E+02 SK= 0.17E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107530157289E+04 0.18403E+00 -0.13416E+00 3399 0.117E+00 0.367E-01
RMM: 2 -0.107530802214E+04 -0.64493E-02 -0.92928E-02 4132 0.327E-01 0.268E-01
RMM: 3 -0.107530898405E+04 -0.96190E-03 -0.19744E-02 4119 0.118E-01 0.170E-01
RMM: 4 -0.107530947360E+04 -0.48955E-03 -0.72800E-03 3581 0.559E-02 0.906E-02
RMM: 5 -0.107530947570E+04 -0.20993E-05 -0.34724E-03 3100 0.282E-02 0.505E-02
RMM: 6 -0.107530964949E+04 -0.17379E-03 -0.23958E-03 2447 0.170E-02 0.275E-02
RMM: 7 -0.107530986345E+04 -0.21396E-03 -0.22728E-03 2104 0.131E-02 0.129E-02
RMM: 8 -0.107531004915E+04 -0.18570E-03 -0.19530E-03 1984 0.105E-02 0.714E-03
RMM: 9 -0.107531024115E+04 -0.19200E-03 -0.19762E-03 1929 0.128E-02 0.459E-03
RMM: 10 -0.107531042299E+04 -0.18184E-03 -0.19110E-03 2189 0.169E-02 0.241E-03
RMM: 11 -0.107531060248E+04 -0.17949E-03 -0.18386E-03 1850 0.112E-02 0.200E-03
RMM: 12 -0.107531076507E+04 -0.16259E-03 -0.16845E-03 1832 0.127E-02 0.190E-03
RMM: 13 -0.107531092917E+04 -0.16410E-03 -0.17070E-03 1651 0.141E-02 0.214E-03
RMM: 14 -0.107531108340E+04 -0.15423E-03 -0.16215E-03 1620 0.156E-02 0.295E-03
RMM: 15 -0.107531123755E+04 -0.15415E-03 -0.16097E-03 1477 0.143E-02 0.340E-03
RMM: 16 -0.107531138088E+04 -0.14333E-03 -0.15295E-03 1624 0.164E-02 0.401E-03
RMM: 17 -0.107531152396E+04 -0.14308E-03 -0.15000E-03 1507 0.151E-02 0.453E-03
RMM: 18 -0.107531165893E+04 -0.13497E-03 -0.14223E-03 1487 0.158E-02 0.496E-03
RMM: 19 -0.107531179431E+04 -0.13538E-03 -0.14370E-03 1610 0.170E-02 0.514E-03
RMM: 20 -0.107531192197E+04 -0.12766E-03 -0.13410E-03 1499 0.142E-02 0.523E-03
RMM: 21 -0.107531204816E+04 -0.12619E-03 -0.13377E-03 1522 0.152E-02 0.505E-03
RMM: 22 -0.107531216804E+04 -0.11988E-03 -0.12766E-03 1522 0.156E-02 0.506E-03
RMM: 23 -0.107531228975E+04 -0.12171E-03 -0.13015E-03 1534 0.160E-02 0.549E-03
RMM: 24 -0.107531240357E+04 -0.11382E-03 -0.12107E-03 1461 0.145E-02 0.609E-03
RMM: 25 -0.107531251695E+04 -0.11338E-03 -0.12094E-03 1484 0.152E-02 0.641E-03
RMM: 26 -0.107531262567E+04 -0.10872E-03 -0.11603E-03 1520 0.159E-02 0.693E-03
RMM: 27 -0.107531273433E+04 -0.10866E-03 -0.11643E-03 1469 0.152E-02 0.743E-03
RMM: 28 -0.107531283731E+04 -0.10298E-03 -0.11054E-03 1445 0.154E-02 0.790E-03
RMM: 29 -0.107531294137E+04 -0.10406E-03 -0.11214E-03 1478 0.163E-02 0.840E-03
RMM: 30 -0.107531303957E+04 -0.98200E-04 -0.10548E-03 1432 0.153E-02 0.888E-03
RMM: 31 -0.107531313886E+04 -0.99292E-04 -0.10722E-03 1509 0.164E-02 0.935E-03
RMM: 32 -0.107531323426E+04 -0.95399E-04 -0.10281E-03 1449 0.156E-02 0.983E-03
RMM: 33 -0.107531332664E+04 -0.92380E-04 -0.99214E-04 1453 0.155E-02
394 T= 672. E= -.10763269E+04 F= -.10753133E+04 E0= -.10752698E+04 EK= 0.13473E+02 SP= -.14E+02 SK= 0.70E-03
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107517097404E+04 0.14226E+00 -0.16431E+00 3401 0.128E+00 0.440E-01
RMM: 2 -0.107517790793E+04 -0.69339E-02 -0.10947E-01 4133 0.358E-01 0.327E-01
RMM: 3 -0.107517848265E+04 -0.57472E-03 -0.22191E-02 4138 0.129E-01 0.188E-01
RMM: 4 -0.107517897777E+04 -0.49512E-03 -0.82230E-03 3684 0.631E-02 0.115E-01
RMM: 5 -0.107517863491E+04 0.34286E-03 -0.23125E-03 3117 0.296E-02 0.643E-02
RMM: 6 -0.107517878546E+04 -0.15055E-03 -0.18741E-03 2837 0.205E-02 0.267E-02
RMM: 7 -0.107517887548E+04 -0.90017E-04 -0.13365E-03 2159 0.132E-02 0.162E-02
RMM: 8 -0.107517897958E+04 -0.10410E-03 -0.12076E-03 1946 0.107E-02 0.101E-02
RMM: 9 -0.107517909455E+04 -0.11497E-03 -0.11864E-03 1989 0.104E-02 0.675E-03
RMM: 10 -0.107517920347E+04 -0.10892E-03 -0.11317E-03 1837 0.991E-03 0.235E-03
RMM: 11 -0.107517931101E+04 -0.10755E-03 -0.11189E-03 1811 0.101E-02 0.211E-03
RMM: 12 -0.107517941378E+04 -0.10277E-03 -0.10688E-03 1762 0.103E-02 0.206E-03
RMM: 13 -0.107517951482E+04 -0.10104E-03 -0.10662E-03 1616 0.126E-02 0.214E-03
RMM: 14 -0.107517961363E+04 -0.98805E-04 -0.10471E-03 1482 0.136E-02 0.292E-03
RMM: 15 -0.107517971315E+04 -0.99518E-04 -0.10667E-03 1597 0.156E-02 0.280E-03
RMM: 16 -0.107517980869E+04 -0.95539E-04 -0.10175E-03 1499 0.141E-02 0.275E-03
RMM: 17 -0.107517990249E+04 -0.93810E-04 -0.10107E-03 1620 0.155E-02 0.222E-03
RMM: 18 -0.107517999543E+04 -0.92931E-04 -0.99447E-04 1492 0.151E-02
395 T= 666. E= -.10763122E+04 F= -.10751800E+04 E0= -.10751378E+04 EK= 0.13341E+02 SP= -.14E+02 SK= 0.40E-04
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107525772839E+04 -0.77826E-01 -0.15142E+00 3401 0.122E+00 0.400E-01
RMM: 2 -0.107526405137E+04 -0.63230E-02 -0.98691E-02 4118 0.339E-01 0.301E-01
RMM: 3 -0.107526459163E+04 -0.54026E-03 -0.20601E-02 4007 0.122E-01 0.168E-01
RMM: 4 -0.107526526291E+04 -0.67128E-03 -0.74183E-03 3674 0.588E-02 0.117E-01
RMM: 5 -0.107526490341E+04 0.35950E-03 -0.25539E-03 3092 0.286E-02 0.654E-02
RMM: 6 -0.107526505689E+04 -0.15349E-03 -0.19612E-03 2818 0.192E-02 0.179E-02
RMM: 7 -0.107526518610E+04 -0.12921E-03 -0.14705E-03 1967 0.123E-02 0.109E-02
RMM: 8 -0.107526532128E+04 -0.13518E-03 -0.13947E-03 1977 0.112E-02 0.954E-03
RMM: 9 -0.107526545007E+04 -0.12879E-03 -0.13177E-03 1825 0.952E-03 0.345E-03
RMM: 10 -0.107526557402E+04 -0.12395E-03 -0.12709E-03 1839 0.100E-02 0.273E-03
RMM: 11 -0.107526569207E+04 -0.11805E-03 -0.12211E-03 1851 0.106E-02 0.198E-03
RMM: 12 -0.107526580789E+04 -0.11582E-03 -0.12138E-03 1788 0.120E-02 0.163E-03
RMM: 13 -0.107526591748E+04 -0.10959E-03 -0.11495E-03 1532 0.117E-02 0.186E-03
RMM: 14 -0.107526602635E+04 -0.10887E-03 -0.11601E-03 1523 0.143E-02 0.296E-03
RMM: 15 -0.107526612901E+04 -0.10267E-03 -0.10898E-03 1431 0.139E-02 0.292E-03
RMM: 16 -0.107526623238E+04 -0.10337E-03 -0.11119E-03 1573 0.164E-02 0.319E-03
RMM: 17 -0.107526633205E+04 -0.99668E-04 -0.10620E-03 1457 0.148E-02 0.359E-03
RMM: 18 -0.107526643073E+04 -0.98681E-04 -0.10546E-03 1529 0.154E-02 0.434E-03
RMM: 19 -0.107526652490E+04 -0.94167E-04 -0.10085E-03 1396 0.145E-02 0.485E-03
RMM: 20 -0.107526661841E+04 -0.93516E-04 -0.10103E-03 1488 0.158E-02 0.536E-03
RMM: 21 -0.107526670891E+04 -0.90491E-04 -0.97984E-04 1455 0.153E-02
396 T= 670. E= -.10763195E+04 F= -.10752667E+04 E0= -.10752255E+04 EK= 0.13424E+02 SP= -.14E+02 SK= 0.21E-03
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107544619549E+04 -0.17958E+00 -0.13931E+00 3341 0.116E+00 0.409E-01
RMM: 2 -0.107545226180E+04 -0.60663E-02 -0.91491E-02 4099 0.312E-01 0.312E-01
RMM: 3 -0.107545271587E+04 -0.45408E-03 -0.19331E-02 3893 0.113E-01 0.158E-01
RMM: 4 -0.107545328007E+04 -0.56420E-03 -0.65848E-03 3580 0.543E-02 0.878E-02
RMM: 5 -0.107545320574E+04 0.74334E-04 -0.23909E-03 2936 0.259E-02 0.627E-02
RMM: 6 -0.107545332748E+04 -0.12174E-03 -0.18851E-03 2715 0.187E-02 0.185E-02
RMM: 7 -0.107545345341E+04 -0.12593E-03 -0.14420E-03 1959 0.123E-02 0.126E-02
RMM: 8 -0.107545357316E+04 -0.11975E-03 -0.13179E-03 2019 0.123E-02 0.848E-03
RMM: 9 -0.107545369794E+04 -0.12478E-03 -0.12921E-03 1891 0.108E-02 0.554E-03
RMM: 10 -0.107545381388E+04 -0.11594E-03 -0.12148E-03 1941 0.115E-02 0.180E-03
RMM: 11 -0.107545392585E+04 -0.11197E-03 -0.11614E-03 1844 0.104E-02 0.174E-03
RMM: 12 -0.107545403019E+04 -0.10435E-03 -0.10926E-03 1825 0.119E-02 0.197E-03
RMM: 13 -0.107545413154E+04 -0.10134E-03 -0.10784E-03 1584 0.135E-02 0.276E-03
RMM: 14 -0.107545423145E+04 -0.99913E-04 -0.10830E-03 1665 0.158E-02 0.280E-03
RMM: 15 -0.107545432430E+04 -0.92846E-04 -0.98940E-04 1472 0.137E-02
397 T= 679. E= -.10763404E+04 F= -.10754543E+04 E0= -.10754142E+04 EK= 0.13610E+02 SP= -.14E+02 SK= 0.98E-03
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107540979316E+04 0.44438E-01 -0.11193E+00 3356 0.109E+00 0.322E-01
RMM: 2 -0.107541591020E+04 -0.61170E-02 -0.78415E-02 4093 0.299E-01 0.247E-01
RMM: 3 -0.107541699135E+04 -0.10812E-02 -0.17142E-02 3997 0.106E-01 0.171E-01
RMM: 4 -0.107541724068E+04 -0.24933E-03 -0.51671E-03 3439 0.504E-02 0.802E-02
RMM: 5 -0.107541716962E+04 0.71066E-04 -0.24021E-03 3174 0.282E-02 0.433E-02
RMM: 6 -0.107541722601E+04 -0.56393E-04 -0.12586E-03 2166 0.150E-02 0.266E-02
RMM: 7 -0.107541734262E+04 -0.11661E-03 -0.13896E-03 2355 0.147E-02 0.133E-02
RMM: 8 -0.107541743883E+04 -0.96207E-04 -0.10819E-03 1889 0.974E-03 0.875E-03
RMM: 9 -0.107541753732E+04 -0.98491E-04 -0.10505E-03 1719 0.934E-03 0.498E-03
RMM: 10 -0.107541764150E+04 -0.10417E-03 -0.11064E-03 2231 0.144E-02 0.790E-03
RMM: 11 -0.107541773554E+04 -0.94045E-04 -0.10056E-03 1735 0.950E-03 0.465E-03
RMM: 12 -0.107541782604E+04 -0.90495E-04 -0.96133E-04 1813 0.115E-02
398 T= 679. E= -.10763387E+04 F= -.10754178E+04 E0= -.10753791E+04 EK= 0.13606E+02 SP= -.15E+02 SK= 0.21E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107511891881E+04 0.29882E+00 -0.12273E+00 3352 0.115E+00 0.332E-01
RMM: 2 -0.107512546899E+04 -0.65502E-02 -0.84281E-02 4119 0.318E-01 0.246E-01
RMM: 3 -0.107512657658E+04 -0.11076E-02 -0.18277E-02 4042 0.110E-01 0.158E-01
RMM: 4 -0.107512662895E+04 -0.52371E-04 -0.43200E-03 3389 0.507E-02 0.516E-02
RMM: 5 -0.107512676174E+04 -0.13279E-03 -0.21644E-03 3172 0.270E-02 0.406E-02
RMM: 6 -0.107512679620E+04 -0.34466E-04 -0.11580E-03 2005 0.148E-02 0.238E-02
RMM: 7 -0.107512691003E+04 -0.11382E-03 -0.13915E-03 2424 0.166E-02 0.123E-02
RMM: 8 -0.107512700601E+04 -0.95985E-04 -0.10481E-03 1865 0.990E-03 0.888E-03
RMM: 9 -0.107512710585E+04 -0.99840E-04 -0.10645E-03 1764 0.100E-02 0.558E-03
RMM: 10 -0.107512721131E+04 -0.10546E-03 -0.11118E-03 2221 0.150E-02 0.863E-03
RMM: 11 -0.107512730635E+04 -0.95042E-04 -0.10147E-03 1730 0.879E-03 0.467E-03
RMM: 12 -0.107512740032E+04 -0.93967E-04 -0.10050E-03 1983 0.123E-02 0.215E-03
RMM: 13 -0.107512749752E+04 -0.97206E-04 -0.10194E-03 1624 0.115E-02 0.195E-03
RMM: 14 -0.107512758871E+04 -0.91185E-04 -0.95923E-04 1510 0.121E-02
399 T= 668. E= -.10763048E+04 F= -.10751276E+04 E0= -.10750896E+04 EK= 0.13392E+02 SP= -.15E+02 SK= 0.39E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107497323086E+04 0.15427E+00 -0.13559E+00 3343 0.119E+00 0.370E-01
RMM: 2 -0.107497976626E+04 -0.65354E-02 -0.89492E-02 4121 0.326E-01 0.269E-01
RMM: 3 -0.107498087583E+04 -0.11096E-02 -0.19884E-02 4014 0.118E-01 0.158E-01
RMM: 4 -0.107498099581E+04 -0.11998E-03 -0.45623E-03 3528 0.524E-02 0.496E-02
RMM: 5 -0.107498116183E+04 -0.16602E-03 -0.20555E-03 2889 0.250E-02 0.335E-02
RMM: 6 -0.107498126136E+04 -0.99530E-04 -0.13418E-03 2026 0.148E-02 0.222E-02
RMM: 7 -0.107498138632E+04 -0.12495E-03 -0.14141E-03 2277 0.159E-02 0.773E-03
RMM: 8 -0.107498150801E+04 -0.12170E-03 -0.12539E-03 1872 0.108E-02 0.656E-03
RMM: 9 -0.107498162848E+04 -0.12047E-03 -0.12429E-03 1844 0.113E-02 0.548E-03
RMM: 10 -0.107498174730E+04 -0.11882E-03 -0.12442E-03 2029 0.142E-02 0.299E-03
RMM: 11 -0.107498186725E+04 -0.11994E-03 -0.12778E-03 2024 0.148E-02 0.197E-03
RMM: 12 -0.107498198100E+04 -0.11376E-03 -0.11890E-03 1822 0.121E-02 0.194E-03
RMM: 13 -0.107498209501E+04 -0.11401E-03 -0.11977E-03 1686 0.136E-02 0.288E-03
RMM: 14 -0.107498220657E+04 -0.11156E-03 -0.11733E-03 1532 0.143E-02 0.273E-03
RMM: 15 -0.107498231908E+04 -0.11251E-03 -0.11968E-03 1636 0.160E-02 0.264E-03
RMM: 16 -0.107498242993E+04 -0.11085E-03 -0.11766E-03 1558 0.146E-02 0.270E-03
RMM: 17 -0.107498253671E+04 -0.10678E-03 -0.11237E-03 1408 0.135E-02 0.299E-03
RMM: 18 -0.107498264429E+04 -0.10758E-03 -0.11513E-03 1557 0.163E-02 0.349E-03
RMM: 19 -0.107498275040E+04 -0.10611E-03 -0.11271E-03 1469 0.154E-02 0.414E-03
RMM: 20 -0.107498285557E+04 -0.10517E-03 -0.11201E-03 1496 0.156E-02 0.462E-03
RMM: 21 -0.107498295993E+04 -0.10436E-03 -0.11089E-03 1474 0.151E-02 0.520E-03
RMM: 22 -0.107498306300E+04 -0.10306E-03 -0.11030E-03 1487 0.155E-02 0.581E-03
RMM: 23 -0.107498316436E+04 -0.10136E-03 -0.10797E-03 1439 0.150E-02 0.645E-03
RMM: 24 -0.107498326540E+04 -0.10104E-03 -0.10821E-03 1482 0.157E-02 0.703E-03
RMM: 25 -0.107498336675E+04 -0.10134E-03 -0.10831E-03 1489 0.159E-02 0.763E-03
RMM: 26 -0.107498346572E+04 -0.98975E-04 -0.10587E-03 1463 0.153E-02 0.824E-03
RMM: 27 -0.107498356563E+04 -0.99905E-04 -0.10689E-03 1472 0.157E-02 0.882E-03
RMM: 28 -0.107498366451E+04 -0.98886E-04 -0.10563E-03 1464 0.154E-02 0.941E-03
RMM: 29 -0.107498376380E+04 -0.99287E-04 -0.10647E-03 1463 0.157E-02 0.100E-02
RMM: 30 -0.107498386249E+04 -0.98687E-04 -0.10530E-03 1415 0.152E-02 0.106E-02
RMM: 31 -0.107498396163E+04 -0.99140E-04 -0.10601E-03 1450 0.158E-02 0.112E-02
RMM: 32 -0.107498406109E+04 -0.99466E-04 -0.10707E-03 1459 0.163E-02 0.118E-02
RMM: 33 -0.107498416284E+04 -0.10174E-03 -0.10908E-03 1477 0.163E-02 0.124E-02
RMM: 34 -0.107498426272E+04 -0.99879E-04 -0.10649E-03 1418 0.151E-02 0.130E-02
RMM: 35 -0.107498436283E+04 -0.10012E-03 -0.10692E-03 1422 0.157E-02 0.136E-02
RMM: 36 -0.107498446163E+04 -0.98797E-04 -0.10560E-03 1428 0.153E-02 0.142E-02
RMM: 37 -0.107498455745E+04 -0.95824E-04 -0.10234E-03 1391 0.148E-02 0.148E-02
RMM: 38 -0.107498465217E+04 -0.94716E-04 -0.10134E-03 1407 0.155E-02 0.154E-02
RMM: 39 -0.107498474711E+04 -0.94938E-04 -0.10209E-03 1445 0.159E-02 0.160E-02
RMM: 40 -0.107498483999E+04 -0.92882E-04 -0.99290E-04 1376 0.147E-02
400 T= 665. E= -.10762947E+04 F= -.10749848E+04 E0= -.10749443E+04 EK= 0.13317E+02 SP= -.15E+02 SK= 0.71E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107513409763E+04 -0.14935E+00 -0.96649E-01 3352 0.104E+00 0.269E-01
RMM: 2 -0.107513921749E+04 -0.51199E-02 -0.67221E-02 4093 0.283E-01 0.200E-01
RMM: 3 -0.107514020754E+04 -0.99005E-03 -0.13871E-02 3985 0.100E-01 0.148E-01
RMM: 4 -0.107514049209E+04 -0.28455E-03 -0.47471E-03 3484 0.466E-02 0.759E-02
RMM: 5 -0.107514060953E+04 -0.11744E-03 -0.26923E-03 3094 0.265E-02 0.409E-02
RMM: 6 -0.107514069747E+04 -0.87936E-04 -0.16393E-03 2131 0.153E-02 0.230E-02
RMM: 7 -0.107514085095E+04 -0.15348E-03 -0.16867E-03 2174 0.144E-02 0.833E-03
RMM: 8 -0.107514099461E+04 -0.14366E-03 -0.14611E-03 1865 0.974E-03 0.512E-03
RMM: 9 -0.107514113562E+04 -0.14101E-03 -0.14406E-03 1744 0.108E-02 0.387E-03
RMM: 10 -0.107514127807E+04 -0.14244E-03 -0.15058E-03 2122 0.165E-02 0.216E-03
RMM: 11 -0.107514141778E+04 -0.13971E-03 -0.14432E-03 1884 0.122E-02 0.146E-03
RMM: 12 -0.107514155338E+04 -0.13560E-03 -0.14090E-03 1880 0.135E-02 0.137E-03
RMM: 13 -0.107514168956E+04 -0.13617E-03 -0.14196E-03 1601 0.141E-02 0.152E-03
RMM: 14 -0.107514182287E+04 -0.13331E-03 -0.14032E-03 1560 0.155E-02 0.229E-03
RMM: 15 -0.107514195752E+04 -0.13465E-03 -0.14065E-03 1500 0.151E-02 0.287E-03
RMM: 16 -0.107514209114E+04 -0.13362E-03 -0.13975E-03 1510 0.148E-02 0.350E-03
RMM: 17 -0.107514222249E+04 -0.13134E-03 -0.13657E-03 1451 0.139E-02 0.417E-03
RMM: 18 -0.107514235360E+04 -0.13111E-03 -0.13726E-03 1491 0.156E-02 0.490E-03
RMM: 19 -0.107514248628E+04 -0.13268E-03 -0.13905E-03 1500 0.153E-02 0.556E-03
RMM: 20 -0.107514261555E+04 -0.12927E-03 -0.13539E-03 1443 0.146E-02 0.624E-03
RMM: 21 -0.107514274604E+04 -0.13049E-03 -0.13688E-03 1484 0.150E-02 0.686E-03
RMM: 22 -0.107514287525E+04 -0.12921E-03 -0.13526E-03 1431 0.147E-02 0.751E-03
RMM: 23 -0.107514300480E+04 -0.12955E-03 -0.13609E-03 1479 0.153E-02 0.821E-03
RMM: 24 -0.107514313202E+04 -0.12721E-03 -0.13327E-03 1428 0.147E-02 0.888E-03
RMM: 25 -0.107514326067E+04 -0.12865E-03 -0.13517E-03 1473 0.158E-02 0.957E-03
RMM: 26 -0.107514338773E+04 -0.12706E-03 -0.13367E-03 1456 0.154E-02 0.102E-02
RMM: 27 -0.107514351444E+04 -0.12671E-03 -0.13290E-03 1428 0.154E-02 0.109E-02
RMM: 28 -0.107514364097E+04 -0.12653E-03 -0.13319E-03 1451 0.159E-02 0.115E-02
RMM: 29 -0.107514376735E+04 -0.12638E-03 -0.13307E-03 1457 0.155E-02 0.122E-02
RMM: 30 -0.107514389216E+04 -0.12481E-03 -0.13131E-03 1434 0.151E-02 0.129E-02
RMM: 31 -0.107514401712E+04 -0.12496E-03 -0.13132E-03 1444 0.154E-02 0.135E-02
RMM: 32 -0.107514414182E+04 -0.12470E-03 -0.13116E-03 1463 0.153E-02 0.141E-02
RMM: 33 -0.107514426448E+04 -0.12267E-03 -0.12868E-03 1399 0.145E-02 0.148E-02
RMM: 34 -0.107514438668E+04 -0.12220E-03 -0.12872E-03 1421 0.154E-02 0.154E-02
RMM: 35 -0.107514450889E+04 -0.12221E-03 -0.12913E-03 1433 0.156E-02 0.160E-02
RMM: 36 -0.107514462980E+04 -0.12091E-03 -0.12725E-03 1427 0.150E-02 0.166E-02
RMM: 37 -0.107514474931E+04 -0.11951E-03 -0.12595E-03 1391 0.150E-02 0.172E-02
RMM: 38 -0.107514486825E+04 -0.11895E-03 -0.12533E-03 1399 0.152E-02 0.178E-02
RMM: 39 -0.107514498659E+04 -0.11833E-03 -0.12510E-03 1419 0.155E-02 0.183E-02
RMM: 40 -0.107514510215E+04 -0.11556E-03 -0.12182E-03 1363 0.150E-02 0.189E-02
RMM: 41 -0.107514521967E+04 -0.11752E-03 -0.12503E-03 1458 0.161E-02 0.194E-02
RMM: 42 -0.107514533431E+04 -0.11464E-03 -0.12103E-03 1370 0.146E-02 0.200E-02
RMM: 43 -0.107514544722E+04 -0.11291E-03 -0.11906E-03 1359 0.145E-02 0.206E-02
RMM: 44 -0.107514556038E+04 -0.11317E-03 -0.12003E-03 1403 0.154E-02 0.211E-02
RMM: 45 -0.107514567158E+04 -0.11119E-03 -0.11745E-03 1362 0.143E-02 0.216E-02
RMM: 46 -0.107514578133E+04 -0.10975E-03 -0.11576E-03 1365 0.143E-02 0.221E-02
RMM: 47 -0.107514589003E+04 -0.10870E-03 -0.11476E-03 1349 0.145E-02 0.227E-02
RMM: 48 -0.107514599728E+04 -0.10725E-03 -0.11392E-03 1382 0.148E-02 0.232E-02
RMM: 49 -0.107514610320E+04 -0.10592E-03 -0.11235E-03 1346 0.147E-02 0.237E-02
RMM: 50 -0.107514620842E+04 -0.10522E-03 -0.11187E-03 1394 0.149E-02 0.241E-02
RMM: 51 -0.107514631083E+04 -0.10241E-03 -0.10889E-03 1324 0.141E-02 0.246E-02
RMM: 52 -0.107514641207E+04 -0.10124E-03 -0.10793E-03 1347 0.143E-02 0.250E-02
RMM: 53 -0.107514651134E+04 -0.99269E-04 -0.10602E-03 1354 0.143E-02 0.253E-02
RMM: 54 -0.107514660967E+04 -0.98335E-04 -0.10636E-03 1420 0.150E-02 0.255E-02
RMM: 55 -0.107514670712E+04 -0.97442E-04 -0.10419E-03 1387 0.141E-02 0.258E-02
RMM: 56 -0.107514680217E+04 -0.95051E-04 -0.10181E-03 1376 0.140E-02 0.261E-02
RMM: 57 -0.107514690216E+04 -0.99997E-04 -0.10173E-03 1379 0.145E-02 0.276E-02
RMM: 58 -0.107514699489E+04 -0.92729E-04 -0.98423E-04 1357 0.141E-02
401 T= 675. E= -.10763281E+04 F= -.10751470E+04 E0= -.10750985E+04 EK= 0.13522E+02 SP= -.15E+02 SK= 0.11E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107532550322E+04 -0.17860E+00 -0.11003E+00 3380 0.104E+00 0.361E-01
RMM: 2 -0.107532968463E+04 -0.41814E-02 -0.78999E-02 4180 0.290E-01 0.255E-01
RMM: 3 -0.107533057091E+04 -0.88628E-03 -0.20014E-02 4047 0.107E-01 0.163E-01
RMM: 4 -0.107533115797E+04 -0.58706E-03 -0.91910E-03 3488 0.518E-02 0.801E-02
RMM: 5 -0.107533160826E+04 -0.45029E-03 -0.62270E-03 3166 0.283E-02 0.565E-02
RMM: 6 -0.107533199281E+04 -0.38455E-03 -0.48130E-03 2295 0.171E-02 0.296E-02
RMM: 7 -0.107533246766E+04 -0.47485E-03 -0.48380E-03 2269 0.159E-02 0.961E-03
RMM: 8 -0.107533289824E+04 -0.43058E-03 -0.43418E-03 1980 0.102E-02 0.674E-03
RMM: 9 -0.107533332686E+04 -0.42862E-03 -0.43132E-03 1964 0.116E-02 0.596E-03
RMM: 10 -0.107533373449E+04 -0.40763E-03 -0.41599E-03 2177 0.159E-02 0.473E-03
RMM: 11 -0.107533413327E+04 -0.39877E-03 -0.40284E-03 1968 0.118E-02 0.339E-03
RMM: 12 -0.107533450898E+04 -0.37572E-03 -0.38099E-03 1964 0.133E-02 0.275E-03
RMM: 13 -0.107533488018E+04 -0.37120E-03 -0.37719E-03 1885 0.143E-02 0.123E-03
RMM: 14 -0.107533523059E+04 -0.35040E-03 -0.35609E-03 1544 0.132E-02 0.162E-03
RMM: 15 -0.107533557149E+04 -0.34091E-03 -0.34703E-03 1538 0.135E-02 0.212E-03
RMM: 16 -0.107533589495E+04 -0.32346E-03 -0.32997E-03 1557 0.144E-02 0.356E-03
RMM: 17 -0.107533621217E+04 -0.31721E-03 -0.32382E-03 1567 0.148E-02 0.528E-03
RMM: 18 -0.107533651093E+04 -0.29876E-03 -0.30543E-03 1502 0.143E-02 0.643E-03
RMM: 19 -0.107533680261E+04 -0.29169E-03 -0.29908E-03 1517 0.154E-02 0.762E-03
RMM: 20 -0.107533707852E+04 -0.27590E-03 -0.28370E-03 1476 0.150E-02 0.871E-03
RMM: 21 -0.107533734466E+04 -0.26615E-03 -0.27490E-03 1477 0.153E-02 0.987E-03
RMM: 22 -0.107533759650E+04 -0.25183E-03 -0.26030E-03 1489 0.154E-02 0.110E-02
RMM: 23 -0.107533783948E+04 -0.24298E-03 -0.25074E-03 1482 0.159E-02 0.122E-02
RMM: 24 -0.107533807117E+04 -0.23170E-03 -0.24038E-03 1522 0.165E-02 0.132E-02
RMM: 25 -0.107533829408E+04 -0.22290E-03 -0.23073E-03 1511 0.157E-02 0.142E-02
RMM: 26 -0.107533850333E+04 -0.20926E-03 -0.21663E-03 1438 0.153E-02 0.153E-02
RMM: 27 -0.107533870714E+04 -0.20381E-03 -0.21252E-03 1516 0.170E-02 0.163E-02
RMM: 28 -0.107533889794E+04 -0.19080E-03 -0.19779E-03 1432 0.152E-02 0.173E-02
RMM: 29 -0.107533908313E+04 -0.18518E-03 -0.19356E-03 1500 0.166E-02 0.182E-02
RMM: 30 -0.107533925771E+04 -0.17458E-03 -0.18211E-03 1452 0.155E-02 0.191E-02
RMM: 31 -0.107533942529E+04 -0.16758E-03 -0.17522E-03 1458 0.154E-02 0.200E-02
RMM: 32 -0.107533958317E+04 -0.15788E-03 -0.16471E-03 1411 0.149E-02 0.209E-02
RMM: 33 -0.107533973535E+04 -0.15217E-03 -0.15950E-03 1454 0.157E-02 0.217E-02
RMM: 34 -0.107533987959E+04 -0.14425E-03 -0.15155E-03 1409 0.149E-02 0.225E-02
RMM: 35 -0.107534001610E+04 -0.13651E-03 -0.14335E-03 1370 0.146E-02 0.232E-02
RMM: 36 -0.107534014641E+04 -0.13031E-03 -0.13760E-03 1428 0.156E-02 0.240E-02
RMM: 37 -0.107534027206E+04 -0.12565E-03 -0.13329E-03 1448 0.157E-02 0.247E-02
RMM: 38 -0.107534038916E+04 -0.11710E-03 -0.12377E-03 1362 0.142E-02 0.254E-02
RMM: 39 -0.107534050200E+04 -0.11284E-03 -0.12023E-03 1438 0.155E-02 0.261E-02
RMM: 40 -0.107534060954E+04 -0.10754E-03 -0.11489E-03 1427 0.151E-02 0.268E-02
RMM: 41 -0.107534071122E+04 -0.10168E-03 -0.10824E-03 1353 0.142E-02 0.275E-02
RMM: 42 -0.107534080715E+04 -0.95929E-04 -0.10276E-03 1344 0.146E-02 0.281E-02
RMM: 43 -0.107534089990E+04 -0.92752E-04 -0.10008E-03 1410 0.153E-02 0.287E-02
RMM: 44 -0.107534098769E+04 -0.87786E-04 -0.94749E-04 1369 0.146E-02
402 T= 689. E= -.10763344E+04 F= -.10753410E+04 E0= -.10752918E+04 EK= 0.13800E+02 SP= -.15E+02 SK= 0.14E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107550065603E+04 -0.15976E+00 -0.13186E+00 3375 0.112E+00 0.392E-01
RMM: 2 -0.107550513429E+04 -0.44783E-02 -0.86799E-02 4177 0.310E-01 0.287E-01
RMM: 3 -0.107550567108E+04 -0.53679E-03 -0.19517E-02 4154 0.114E-01 0.192E-01
RMM: 4 -0.107550580503E+04 -0.13395E-03 -0.69044E-03 3567 0.557E-02 0.108E-01
RMM: 5 -0.107550574534E+04 0.59684E-04 -0.29864E-03 3245 0.310E-02 0.602E-02
RMM: 6 -0.107550586403E+04 -0.11869E-03 -0.18304E-03 2527 0.176E-02 0.356E-02
RMM: 7 -0.107550601396E+04 -0.14992E-03 -0.16556E-03 2156 0.137E-02 0.182E-02
RMM: 8 -0.107550613944E+04 -0.12549E-03 -0.14185E-03 2024 0.111E-02 0.833E-03
RMM: 9 -0.107550627347E+04 -0.13403E-03 -0.13845E-03 1994 0.131E-02 0.504E-03
RMM: 10 -0.107550641148E+04 -0.13801E-03 -0.14547E-03 2213 0.170E-02 0.251E-03
RMM: 11 -0.107550653923E+04 -0.12775E-03 -0.13178E-03 1867 0.105E-02 0.197E-03
RMM: 12 -0.107550665755E+04 -0.11833E-03 -0.12281E-03 1741 0.118E-02 0.152E-03
RMM: 13 -0.107550677658E+04 -0.11903E-03 -0.12690E-03 1641 0.157E-02 0.128E-03
RMM: 14 -0.107550689202E+04 -0.11544E-03 -0.12388E-03 1657 0.165E-02 0.128E-03
RMM: 15 -0.107550700505E+04 -0.11303E-03 -0.12032E-03 1620 0.158E-02 0.945E-04
RMM: 16 -0.107550711419E+04 -0.10914E-03 -0.11657E-03 1626 0.157E-02 0.104E-03
RMM: 17 -0.107550721949E+04 -0.10530E-03 -0.11156E-03 1520 0.144E-02 0.918E-04
RMM: 18 -0.107550732157E+04 -0.10208E-03 -0.10938E-03 1545 0.156E-02 0.105E-03
RMM: 19 -0.107550742225E+04 -0.10067E-03 -0.10824E-03 1516 0.157E-02 0.153E-03
RMM: 20 -0.107550751977E+04 -0.97521E-04 -0.10512E-03 1515 0.157E-02 0.203E-03
RMM: 21 -0.107550761504E+04 -0.95269E-04 -0.10238E-03 1472 0.149E-02 0.234E-03
RMM: 22 -0.107550770781E+04 -0.92770E-04 -0.99904E-04 1523 0.151E-02
403 T= 702. E= -.10763317E+04 F= -.10755077E+04 E0= -.10754595E+04 EK= 0.14069E+02 SP= -.15E+02 SK= 0.15E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107561791530E+04 -0.11030E+00 -0.11422E+00 3380 0.106E+00 0.321E-01
RMM: 2 -0.107562290186E+04 -0.49866E-02 -0.77685E-02 4155 0.293E-01 0.244E-01
RMM: 3 -0.107562365064E+04 -0.74878E-03 -0.17146E-02 4075 0.106E-01 0.172E-01
RMM: 4 -0.107562383402E+04 -0.18337E-03 -0.63257E-03 3301 0.523E-02 0.673E-02
RMM: 5 -0.107562411188E+04 -0.27787E-03 -0.35092E-03 3267 0.298E-02 0.593E-02
RMM: 6 -0.107562414901E+04 -0.37127E-04 -0.19612E-03 2308 0.168E-02 0.374E-02
RMM: 7 -0.107562436278E+04 -0.21377E-03 -0.23432E-03 2682 0.181E-02 0.201E-02
RMM: 8 -0.107562450863E+04 -0.14586E-03 -0.17279E-03 2016 0.109E-02 0.863E-03
RMM: 9 -0.107562468372E+04 -0.17508E-03 -0.18070E-03 1891 0.105E-02 0.963E-03
RMM: 10 -0.107562484576E+04 -0.16205E-03 -0.16569E-03 2042 0.126E-02 0.870E-03
RMM: 11 -0.107562500720E+04 -0.16144E-03 -0.16663E-03 1824 0.104E-02 0.329E-03
RMM: 12 -0.107562515858E+04 -0.15138E-03 -0.15685E-03 1968 0.124E-02 0.194E-03
RMM: 13 -0.107562531330E+04 -0.15471E-03 -0.15920E-03 1602 0.117E-02 0.221E-03
RMM: 14 -0.107562545740E+04 -0.14410E-03 -0.14955E-03 1547 0.136E-02 0.353E-03
RMM: 15 -0.107562560652E+04 -0.14912E-03 -0.15657E-03 1675 0.159E-02 0.306E-03
RMM: 16 -0.107562574496E+04 -0.13844E-03 -0.14558E-03 1556 0.152E-02 0.299E-03
RMM: 17 -0.107562588634E+04 -0.14138E-03 -0.14913E-03 1693 0.167E-02 0.224E-03
RMM: 18 -0.107562602097E+04 -0.13463E-03 -0.14242E-03 1599 0.164E-02 0.235E-03
RMM: 19 -0.107562615668E+04 -0.13572E-03 -0.14333E-03 1576 0.164E-02 0.266E-03
RMM: 20 -0.107562628641E+04 -0.12972E-03 -0.13704E-03 1514 0.157E-02 0.336E-03
RMM: 21 -0.107562641643E+04 -0.13002E-03 -0.13767E-03 1550 0.158E-02 0.380E-03
RMM: 22 -0.107562654126E+04 -0.12482E-03 -0.13159E-03 1494 0.146E-02 0.444E-03
RMM: 23 -0.107562666533E+04 -0.12407E-03 -0.13070E-03 1476 0.148E-02 0.505E-03
RMM: 24 -0.107562678446E+04 -0.11913E-03 -0.12624E-03 1506 0.155E-02 0.561E-03
RMM: 25 -0.107562690357E+04 -0.11911E-03 -0.12666E-03 1478 0.161E-02 0.624E-03
RMM: 26 -0.107562701955E+04 -0.11598E-03 -0.12328E-03 1490 0.158E-02 0.678E-03
RMM: 27 -0.107562713465E+04 -0.11510E-03 -0.12248E-03 1511 0.158E-02 0.736E-03
RMM: 28 -0.107562724604E+04 -0.11139E-03 -0.11854E-03 1453 0.153E-02 0.793E-03
RMM: 29 -0.107562735594E+04 -0.10991E-03 -0.11715E-03 1449 0.158E-02 0.848E-03
RMM: 30 -0.107562746355E+04 -0.10761E-03 -0.11535E-03 1475 0.163E-02 0.903E-03
RMM: 31 -0.107562756941E+04 -0.10586E-03 -0.11267E-03 1439 0.157E-02 0.954E-03
RMM: 32 -0.107562767341E+04 -0.10400E-03 -0.11171E-03 1461 0.163E-02 0.101E-02
RMM: 33 -0.107562777630E+04 -0.10289E-03 -0.11026E-03 1463 0.156E-02 0.106E-02
RMM: 34 -0.107562787544E+04 -0.99135E-04 -0.10566E-03 1393 0.148E-02 0.111E-02
RMM: 35 -0.107562797507E+04 -0.99630E-04 -0.10715E-03 1523 0.160E-02 0.115E-02
RMM: 36 -0.107562807154E+04 -0.96474E-04 -0.10241E-03 1358 0.141E-02 0.120E-02
RMM: 37 -0.107562816610E+04 -0.94558E-04 -0.10151E-03 1418 0.152E-02 0.125E-02
RMM: 38 -0.107562825940E+04 -0.93299E-04 -0.10076E-03 1417 0.156E-02 0.129E-02
RMM: 39 -0.107562835152E+04 -0.92118E-04 -0.10020E-03 1446 0.156E-02 0.134E-02
RMM: 40 -0.107562844115E+04 -0.89628E-04 -0.96410E-04 1360 0.143E-02
404 T= 713. E= -.10763451E+04 F= -.10756284E+04 E0= -.10755818E+04 EK= 0.14278E+02 SP= -.15E+02 SK= 0.14E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107550201751E+04 0.12633E+00 -0.12081E+00 3346 0.109E+00 0.358E-01
RMM: 2 -0.107550761487E+04 -0.55974E-02 -0.82737E-02 4086 0.298E-01 0.264E-01
RMM: 3 -0.107550838759E+04 -0.77272E-03 -0.17376E-02 3935 0.108E-01 0.170E-01
RMM: 4 -0.107550874396E+04 -0.35637E-03 -0.61219E-03 3478 0.528E-02 0.972E-02
RMM: 5 -0.107550863229E+04 0.11167E-03 -0.22243E-03 3105 0.276E-02 0.527E-02
RMM: 6 -0.107550872877E+04 -0.96478E-04 -0.14222E-03 2497 0.168E-02 0.263E-02
RMM: 7 -0.107550883582E+04 -0.10705E-03 -0.11679E-03 2028 0.122E-02 0.139E-02
RMM: 8 -0.107550893095E+04 -0.95134E-04 -0.10550E-03 1965 0.103E-02 0.762E-03
RMM: 9 -0.107550902662E+04 -0.95665E-04 -0.99851E-04 1930 0.123E-02
405 T= 712. E= -.10763433E+04 F= -.10755090E+04 E0= -.10754643E+04 EK= 0.14258E+02 SP= -.15E+02 SK= 0.13E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107518194812E+04 0.32698E+00 -0.14081E+00 3364 0.117E+00 0.372E-01
RMM: 2 -0.107518890519E+04 -0.69571E-02 -0.95313E-02 4077 0.322E-01 0.281E-01
RMM: 3 -0.107518999388E+04 -0.10887E-02 -0.21649E-02 4024 0.119E-01 0.166E-01
RMM: 4 -0.107519042536E+04 -0.43148E-03 -0.61936E-03 3558 0.550E-02 0.853E-02
RMM: 5 -0.107519036947E+04 0.55894E-04 -0.26852E-03 3122 0.282E-02 0.504E-02
RMM: 6 -0.107519050165E+04 -0.13219E-03 -0.18458E-03 2448 0.167E-02 0.229E-02
RMM: 7 -0.107519065050E+04 -0.14885E-03 -0.15581E-03 1995 0.120E-02 0.131E-02
RMM: 8 -0.107519078560E+04 -0.13510E-03 -0.14411E-03 1888 0.104E-02 0.679E-03
RMM: 9 -0.107519091568E+04 -0.13009E-03 -0.13449E-03 1930 0.135E-02 0.381E-03
RMM: 10 -0.107519105382E+04 -0.13814E-03 -0.14831E-03 2296 0.186E-02 0.220E-03
RMM: 11 -0.107519117385E+04 -0.12003E-03 -0.12444E-03 1832 0.107E-02 0.182E-03
RMM: 12 -0.107519129059E+04 -0.11674E-03 -0.12298E-03 1834 0.132E-02 0.205E-03
RMM: 13 -0.107519139826E+04 -0.10768E-03 -0.11505E-03 1586 0.152E-02 0.278E-03
RMM: 14 -0.107519151142E+04 -0.11316E-03 -0.12289E-03 1785 0.187E-02 0.336E-03
RMM: 15 -0.107519161534E+04 -0.10391E-03 -0.11055E-03 1522 0.141E-02 0.402E-03
RMM: 16 -0.107519171621E+04 -0.10087E-03 -0.10759E-03 1505 0.141E-02 0.470E-03
RMM: 17 -0.107519180935E+04 -0.93149E-04 -0.10142E-03 1507 0.151E-02 0.530E-03
RMM: 18 -0.107519190331E+04 -0.93955E-04 -0.10216E-03 1555 0.164E-02 0.589E-03
RMM: 19 -0.107519199329E+04 -0.89977E-04 -0.97949E-04 1574 0.158E-02
406 T= 702. E= -.10763122E+04 F= -.10751920E+04 E0= -.10751491E+04 EK= 0.14065E+02 SP= -.15E+02 SK= 0.12E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107509338752E+04 0.98516E-01 -0.16826E+00 3360 0.124E+00 0.466E-01
RMM: 2 -0.107509973811E+04 -0.63506E-02 -0.10577E-01 4078 0.335E-01 0.344E-01
RMM: 3 -0.107509984374E+04 -0.10562E-03 -0.23030E-02 3885 0.125E-01 0.145E-01
RMM: 4 -0.107510040419E+04 -0.56045E-03 -0.60875E-03 3745 0.574E-02 0.988E-02
RMM: 5 -0.107510025377E+04 0.15042E-03 -0.15967E-03 2904 0.254E-02 0.738E-02
RMM: 6 -0.107510033435E+04 -0.80584E-04 -0.16748E-03 2848 0.226E-02 0.296E-02
RMM: 7 -0.107510036655E+04 -0.32203E-04 -0.84124E-04 2088 0.139E-02
407 T= 702. E= -.10763034E+04 F= -.10751004E+04 E0= -.10750594E+04 EK= 0.14075E+02 SP= -.15E+02 SK= 0.12E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107537099186E+04 -0.27066E+00 -0.13855E+00 3395 0.113E+00 0.395E-01
RMM: 2 -0.107537612617E+04 -0.51343E-02 -0.82729E-02 4076 0.297E-01 0.291E-01
RMM: 3 -0.107537657671E+04 -0.45054E-03 -0.18756E-02 3934 0.111E-01 0.139E-01
RMM: 4 -0.107537703342E+04 -0.45671E-03 -0.52528E-03 3601 0.508E-02 0.862E-02
RMM: 5 -0.107537693325E+04 0.10017E-03 -0.18664E-03 2887 0.245E-02 0.585E-02
RMM: 6 -0.107537703509E+04 -0.10184E-03 -0.15868E-03 2659 0.178E-02 0.171E-02
RMM: 7 -0.107537712587E+04 -0.90780E-04 -0.10369E-03 1945 0.117E-02 0.109E-02
RMM: 8 -0.107537723246E+04 -0.10659E-03 -0.11068E-03 1936 0.115E-02 0.895E-03
RMM: 9 -0.107537732391E+04 -0.91450E-04 -0.94254E-04 1911 0.122E-02
408 T= 720. E= -.10763332E+04 F= -.10753773E+04 E0= -.10753379E+04 EK= 0.14416E+02 SP= -.15E+02 SK= 0.11E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107561800399E+04 -0.24077E+00 -0.13905E+00 3371 0.115E+00 0.429E-01
RMM: 2 -0.107562405944E+04 -0.60555E-02 -0.86947E-02 4045 0.297E-01 0.316E-01
RMM: 3 -0.107562457168E+04 -0.51224E-03 -0.19827E-02 3843 0.111E-01 0.137E-01
RMM: 4 -0.107562507857E+04 -0.50689E-03 -0.58457E-03 3606 0.519E-02 0.829E-02
RMM: 5 -0.107562504243E+04 0.36145E-04 -0.19835E-03 2751 0.236E-02 0.649E-02
RMM: 6 -0.107562515127E+04 -0.10885E-03 -0.18395E-03 2681 0.189E-02 0.174E-02
RMM: 7 -0.107562525569E+04 -0.10442E-03 -0.12289E-03 1949 0.121E-02 0.109E-02
RMM: 8 -0.107562536904E+04 -0.11335E-03 -0.12291E-03 1865 0.111E-02 0.860E-03
RMM: 9 -0.107562547709E+04 -0.10805E-03 -0.11246E-03 1937 0.125E-02 0.562E-03
RMM: 10 -0.107562558762E+04 -0.11053E-03 -0.11706E-03 1913 0.121E-02 0.230E-03
RMM: 11 -0.107562568578E+04 -0.98163E-04 -0.10250E-03 1892 0.115E-02 0.166E-03
RMM: 12 -0.107562578631E+04 -0.10053E-03 -0.10617E-03 1796 0.128E-02 0.155E-03
RMM: 13 -0.107562587577E+04 -0.89466E-04 -0.97135E-04 1595 0.147E-02
409 T= 735. E= -.10763585E+04 F= -.10756259E+04 E0= -.10755869E+04 EK= 0.14726E+02 SP= -.15E+02 SK= 0.85E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107549374617E+04 0.13204E+00 -0.12729E+00 3365 0.114E+00 0.354E-01
RMM: 2 -0.107550033194E+04 -0.65858E-02 -0.85185E-02 4098 0.308E-01 0.260E-01
RMM: 3 -0.107550151774E+04 -0.11858E-02 -0.19490E-02 4057 0.112E-01 0.160E-01
RMM: 4 -0.107550154207E+04 -0.24322E-04 -0.42800E-03 3368 0.501E-02 0.499E-02
RMM: 5 -0.107550168941E+04 -0.14734E-03 -0.18656E-03 3028 0.265E-02 0.389E-02
RMM: 6 -0.107550172725E+04 -0.37842E-04 -0.10169E-03 1998 0.147E-02 0.254E-02
RMM: 7 -0.107550181736E+04 -0.90114E-04 -0.11934E-03 2554 0.178E-02 0.128E-02
RMM: 8 -0.107550189549E+04 -0.78126E-04 -0.88563E-04 1827 0.101E-02
410 T= 733. E= -.10763398E+04 F= -.10755019E+04 E0= -.10754630E+04 EK= 0.14693E+02 SP= -.16E+02 SK= 0.54E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107524349268E+04 0.25832E+00 -0.15187E+00 3383 0.121E+00 0.424E-01
RMM: 2 -0.107524968130E+04 -0.61886E-02 -0.93534E-02 4075 0.326E-01 0.305E-01
RMM: 3 -0.107525040246E+04 -0.72116E-03 -0.21723E-02 4006 0.123E-01 0.130E-01
RMM: 4 -0.107525065743E+04 -0.25497E-03 -0.44700E-03 3614 0.516E-02 0.719E-02
RMM: 5 -0.107525074006E+04 -0.82623E-04 -0.17834E-03 2963 0.250E-02 0.425E-02
RMM: 6 -0.107525077418E+04 -0.34119E-04 -0.10828E-03 2309 0.173E-02 0.165E-02
RMM: 7 -0.107525086960E+04 -0.95420E-04 -0.10498E-03 2101 0.152E-02 0.111E-02
RMM: 8 -0.107525095440E+04 -0.84805E-04 -0.87377E-04 1906 0.108E-02
411 T= 725. E= -.10763021E+04 F= -.10752510E+04 E0= -.10752127E+04 EK= 0.14536E+02 SP= -.16E+02 SK= 0.33E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107532821870E+04 -0.77349E-01 -0.13378E+00 3364 0.113E+00 0.377E-01
RMM: 2 -0.107533403045E+04 -0.58118E-02 -0.78521E-02 3977 0.290E-01 0.274E-01
RMM: 3 -0.107533488683E+04 -0.85638E-03 -0.17819E-02 3728 0.113E-01 0.122E-01
RMM: 4 -0.107533542423E+04 -0.53739E-03 -0.57552E-03 3656 0.519E-02 0.862E-02
RMM: 5 -0.107533531593E+04 0.10829E-03 -0.21745E-03 2872 0.250E-02 0.506E-02
RMM: 6 -0.107533547548E+04 -0.15955E-03 -0.19089E-03 2678 0.177E-02 0.175E-02
RMM: 7 -0.107533560841E+04 -0.13293E-03 -0.14752E-03 1926 0.116E-02 0.124E-02
RMM: 8 -0.107533574870E+04 -0.14028E-03 -0.14904E-03 1948 0.117E-02 0.873E-03
RMM: 9 -0.107533588529E+04 -0.13659E-03 -0.14065E-03 1876 0.118E-02 0.466E-03
RMM: 10 -0.107533602558E+04 -0.14029E-03 -0.14543E-03 1975 0.128E-02 0.200E-03
RMM: 11 -0.107533615696E+04 -0.13138E-03 -0.13554E-03 1853 0.111E-02 0.179E-03
RMM: 12 -0.107533628793E+04 -0.13097E-03 -0.13507E-03 1780 0.117E-02 0.149E-03
RMM: 13 -0.107533641295E+04 -0.12502E-03 -0.13115E-03 1621 0.135E-02 0.121E-03
RMM: 14 -0.107533654059E+04 -0.12764E-03 -0.13551E-03 1701 0.157E-02 0.935E-04
RMM: 15 -0.107533666201E+04 -0.12142E-03 -0.12761E-03 1590 0.147E-02 0.749E-04
RMM: 16 -0.107533678467E+04 -0.12266E-03 -0.13048E-03 1646 0.159E-02 0.610E-04
RMM: 17 -0.107533690292E+04 -0.11825E-03 -0.12586E-03 1574 0.153E-02 0.660E-04
RMM: 18 -0.107533701997E+04 -0.11705E-03 -0.12326E-03 1499 0.145E-02 0.835E-04
RMM: 19 -0.107533713409E+04 -0.11412E-03 -0.12161E-03 1490 0.151E-02 0.128E-03
RMM: 20 -0.107533724729E+04 -0.11320E-03 -0.12023E-03 1481 0.148E-02 0.186E-03
RMM: 21 -0.107533735787E+04 -0.11058E-03 -0.11818E-03 1460 0.150E-02 0.237E-03
RMM: 22 -0.107533746724E+04 -0.10938E-03 -0.11802E-03 1459 0.148E-02 0.290E-03
RMM: 23 -0.107533757159E+04 -0.10435E-03 -0.11521E-03 1478 0.156E-02 0.346E-03
RMM: 24 -0.107533767685E+04 -0.10526E-03 -0.11256E-03 1500 0.153E-02 0.395E-03
RMM: 25 -0.107533777878E+04 -0.10193E-03 -0.10910E-03 1445 0.151E-02 0.450E-03
RMM: 26 -0.107533788010E+04 -0.10132E-03 -0.10849E-03 1471 0.157E-02 0.500E-03
RMM: 27 -0.107533797994E+04 -0.99843E-04 -0.10692E-03 1463 0.158E-02 0.546E-03
RMM: 28 -0.107533807884E+04 -0.98897E-04 -0.10644E-03 1463 0.159E-02 0.595E-03
RMM: 29 -0.107533817484E+04 -0.96002E-04 -0.10272E-03 1426 0.149E-02 0.642E-03
RMM: 30 -0.107533827023E+04 -0.95392E-04 -0.10268E-03 1471 0.155E-02 0.693E-03
RMM: 31 -0.107533836304E+04 -0.92804E-04 -0.99469E-04 1425 0.149E-02
412 T= 731. E= -.10763161E+04 F= -.10753384E+04 E0= -.10753001E+04 EK= 0.14653E+02 SP= -.16E+02 SK= 0.18E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107559609724E+04 -0.25783E+00 -0.10193E+00 3363 0.101E+00 0.292E-01
RMM: 2 -0.107560102577E+04 -0.49285E-02 -0.63424E-02 4035 0.263E-01 0.216E-01
RMM: 3 -0.107560187595E+04 -0.85018E-03 -0.13420E-02 3816 0.972E-02 0.139E-01
RMM: 4 -0.107560219858E+04 -0.32263E-03 -0.48134E-03 3420 0.461E-02 0.812E-02
RMM: 5 -0.107560216249E+04 0.36090E-04 -0.20738E-03 2985 0.252E-02 0.371E-02
RMM: 6 -0.107560229719E+04 -0.13471E-03 -0.14500E-03 2178 0.147E-02 0.213E-02
RMM: 7 -0.107560241279E+04 -0.11559E-03 -0.12491E-03 2034 0.128E-02 0.107E-02
RMM: 8 -0.107560252643E+04 -0.11364E-03 -0.11701E-03 1899 0.106E-02 0.440E-03
RMM: 9 -0.107560263603E+04 -0.10960E-03 -0.11170E-03 1837 0.119E-02 0.275E-03
RMM: 10 -0.107560274828E+04 -0.11226E-03 -0.11811E-03 2152 0.157E-02 0.158E-03
RMM: 11 -0.107560285301E+04 -0.10473E-03 -0.10935E-03 1828 0.123E-02 0.130E-03
RMM: 12 -0.107560295397E+04 -0.10095E-03 -0.10544E-03 1800 0.130E-02 0.115E-03
RMM: 13 -0.107560305311E+04 -0.99144E-04 -0.10536E-03 1652 0.144E-02 0.101E-03
RMM: 14 -0.107560315064E+04 -0.97534E-04 -0.10362E-03 1556 0.145E-02 0.996E-04
RMM: 15 -0.107560324534E+04 -0.94699E-04 -0.10110E-03 1551 0.147E-02 0.104E-03
RMM: 16 -0.107560333765E+04 -0.92306E-04 -0.98685E-04 1493 0.145E-02
413 T= 745. E= -.10763461E+04 F= -.10756033E+04 E0= -.10755641E+04 EK= 0.14918E+02 SP= -.16E+02 SK= 0.49E-03
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107567443010E+04 -0.71185E-01 -0.12502E+00 3344 0.109E+00 0.364E-01
RMM: 2 -0.107567988319E+04 -0.54531E-02 -0.81592E-02 4119 0.295E-01 0.275E-01
RMM: 3 -0.107568033953E+04 -0.45634E-03 -0.17850E-02 3938 0.107E-01 0.153E-01
RMM: 4 -0.107568089900E+04 -0.55947E-03 -0.73727E-03 3516 0.540E-02 0.950E-02
RMM: 5 -0.107568080596E+04 0.93043E-04 -0.32084E-03 3087 0.277E-02 0.630E-02
RMM: 6 -0.107568100811E+04 -0.20216E-03 -0.25539E-03 2670 0.177E-02 0.294E-02
RMM: 7 -0.107568122139E+04 -0.21328E-03 -0.22455E-03 2099 0.125E-02 0.143E-02
RMM: 8 -0.107568141428E+04 -0.19289E-03 -0.20823E-03 1944 0.107E-02 0.775E-03
RMM: 9 -0.107568161613E+04 -0.20185E-03 -0.20542E-03 1933 0.121E-02 0.646E-03
RMM: 10 -0.107568182133E+04 -0.20520E-03 -0.21155E-03 2152 0.150E-02 0.260E-03
RMM: 11 -0.107568201489E+04 -0.19356E-03 -0.19594E-03 1751 0.912E-03 0.233E-03
RMM: 12 -0.107568220647E+04 -0.19158E-03 -0.19649E-03 1893 0.126E-02 0.295E-03
RMM: 13 -0.107568239364E+04 -0.18717E-03 -0.19204E-03 1505 0.132E-02 0.450E-03
RMM: 14 -0.107568258207E+04 -0.18842E-03 -0.19740E-03 1681 0.174E-02 0.459E-03
RMM: 15 -0.107568276630E+04 -0.18424E-03 -0.18984E-03 1504 0.145E-02 0.576E-03
RMM: 16 -0.107568294866E+04 -0.18236E-03 -0.18817E-03 1541 0.151E-02 0.673E-03
RMM: 17 -0.107568312929E+04 -0.18063E-03 -0.18576E-03 1532 0.154E-02 0.802E-03
RMM: 18 -0.107568330631E+04 -0.17702E-03 -0.18328E-03 1470 0.155E-02 0.864E-03
RMM: 19 -0.107568348329E+04 -0.17698E-03 -0.18240E-03 1539 0.162E-02 0.101E-02
RMM: 20 -0.107568365878E+04 -0.17549E-03 -0.17961E-03 1577 0.159E-02 0.119E-02
RMM: 21 -0.107568383308E+04 -0.17429E-03 -0.18071E-03 1651 0.166E-02 0.134E-02
RMM: 22 -0.107568400186E+04 -0.16878E-03 -0.17446E-03 1501 0.146E-02 0.144E-02
RMM: 23 -0.107568416868E+04 -0.16682E-03 -0.17360E-03 1506 0.156E-02 0.153E-02
RMM: 24 -0.107568433423E+04 -0.16555E-03 -0.17232E-03 1524 0.158E-02 0.162E-02
RMM: 25 -0.107568449700E+04 -0.16277E-03 -0.16955E-03 1483 0.156E-02 0.171E-02
RMM: 26 -0.107568465748E+04 -0.16049E-03 -0.16735E-03 1492 0.157E-02 0.179E-02
RMM: 27 -0.107568481576E+04 -0.15828E-03 -0.16506E-03 1477 0.158E-02 0.188E-02
RMM: 28 -0.107568497203E+04 -0.15627E-03 -0.16337E-03 1477 0.162E-02 0.197E-02
RMM: 29 -0.107568512634E+04 -0.15431E-03 -0.16150E-03 1489 0.158E-02 0.206E-02
RMM: 30 -0.107568527712E+04 -0.15079E-03 -0.15730E-03 1461 0.152E-02 0.214E-02
RMM: 31 -0.107568542558E+04 -0.14845E-03 -0.15542E-03 1462 0.159E-02 0.222E-02
RMM: 32 -0.107568557173E+04 -0.14616E-03 -0.15281E-03 1439 0.159E-02 0.231E-02
RMM: 33 -0.107568571692E+04 -0.14519E-03 -0.15249E-03 1492 0.162E-02 0.239E-02
RMM: 34 -0.107568585806E+04 -0.14114E-03 -0.14735E-03 1418 0.148E-02 0.247E-02
RMM: 35 -0.107568599633E+04 -0.13827E-03 -0.14464E-03 1411 0.153E-02 0.255E-02
RMM: 36 -0.107568613318E+04 -0.13685E-03 -0.14400E-03 1466 0.159E-02 0.263E-02
RMM: 37 -0.107568626653E+04 -0.13336E-03 -0.14041E-03 1413 0.154E-02 0.271E-02
RMM: 38 -0.107568639687E+04 -0.13034E-03 -0.13732E-03 1406 0.157E-02 0.278E-02
RMM: 39 -0.107568652715E+04 -0.13028E-03 -0.13769E-03 1478 0.165E-02 0.286E-02
RMM: 40 -0.107568665330E+04 -0.12615E-03 -0.13356E-03 1424 0.154E-02 0.293E-02
RMM: 41 -0.107568677697E+04 -0.12367E-03 -0.13063E-03 1420 0.151E-02 0.301E-02
RMM: 42 -0.107568689735E+04 -0.12038E-03 -0.12764E-03 1382 0.154E-02 0.308E-02
RMM: 43 -0.107568701660E+04 -0.11924E-03 -0.12704E-03 1436 0.161E-02 0.315E-02
RMM: 44 -0.107568713390E+04 -0.11731E-03 -0.12517E-03 1428 0.158E-02 0.322E-02
RMM: 45 -0.107568724788E+04 -0.11398E-03 -0.12237E-03 1407 0.153E-02 0.329E-02
RMM: 46 -0.107568736157E+04 -0.11369E-03 -0.12381E-03 1413 0.157E-02 0.335E-02
RMM: 47 -0.107568747328E+04 -0.11171E-03 -0.12491E-03 1411 0.151E-02 0.341E-02
RMM: 48 -0.107568758679E+04 -0.11351E-03 -0.13146E-03 1409 0.153E-02 0.346E-02
RMM: 49 -0.107568767640E+04 -0.89614E-04 -0.11827E-03 1402 0.150E-02 0.352E-02
RMM: 50 -0.107568777804E+04 -0.10164E-03 -0.10817E-03 1364 0.142E-02 0.358E-02
RMM: 51 -0.107568787629E+04 -0.98244E-04 -0.10473E-03 1348 0.146E-02 0.364E-02
RMM: 52 -0.107568797473E+04 -0.98443E-04 -0.10459E-03 1405 0.151E-02 0.372E-02
RMM: 53 -0.107568806877E+04 -0.94043E-04 -0.10046E-03 1347 0.140E-02 0.377E-02
RMM: 54 -0.107568816070E+04 -0.91926E-04 -0.98401E-04 1372 0.144E-02
414 T= 749. E= -.10763437E+04 F= -.10756882E+04 E0= -.10756442E+04 EK= 0.15014E+02 SP= -.16E+02 SK= 0.16E-04
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107567454972E+04 0.13519E-01 -0.13859E+00 3361 0.118E+00 0.388E-01
RMM: 2 -0.107568066934E+04 -0.61196E-02 -0.97945E-02 4170 0.327E-01 0.294E-01
RMM: 3 -0.107568145966E+04 -0.79032E-03 -0.23306E-02 4170 0.122E-01 0.251E-01
RMM: 4 -0.107568107933E+04 0.38034E-03 -0.83939E-03 3456 0.572E-02 0.117E-01
RMM: 5 -0.107568154376E+04 -0.46443E-03 -0.53878E-03 3297 0.331E-02 0.571E-02
RMM: 6 -0.107568183380E+04 -0.29004E-03 -0.33772E-03 2555 0.182E-02 0.367E-02
RMM: 7 -0.107568214534E+04 -0.31155E-03 -0.33562E-03 2369 0.147E-02 0.174E-02
RMM: 8 -0.107568240906E+04 -0.26372E-03 -0.27938E-03 2058 0.119E-02 0.850E-03
RMM: 9 -0.107568269197E+04 -0.28291E-03 -0.28639E-03 1916 0.109E-02 0.693E-03
RMM: 10 -0.107568294205E+04 -0.25008E-03 -0.25461E-03 2016 0.124E-02 0.341E-03
RMM: 11 -0.107568319544E+04 -0.25339E-03 -0.25599E-03 1838 0.929E-03 0.198E-03
RMM: 12 -0.107568341585E+04 -0.22041E-03 -0.22521E-03 1795 0.113E-02 0.194E-03
RMM: 13 -0.107568364084E+04 -0.22499E-03 -0.23053E-03 1553 0.122E-02 0.265E-03
RMM: 14 -0.107568384023E+04 -0.19939E-03 -0.20527E-03 1498 0.134E-02 0.419E-03
RMM: 15 -0.107568404253E+04 -0.20230E-03 -0.20958E-03 1565 0.145E-02 0.463E-03
RMM: 16 -0.107568422320E+04 -0.18067E-03 -0.18690E-03 1552 0.145E-02 0.639E-03
RMM: 17 -0.107568440174E+04 -0.17853E-03 -0.18477E-03 1438 0.136E-02 0.651E-03
RMM: 18 -0.107568456234E+04 -0.16061E-03 -0.16846E-03 1525 0.157E-02 0.713E-03
RMM: 19 -0.107568472467E+04 -0.16233E-03 -0.16901E-03 1501 0.152E-02 0.836E-03
RMM: 20 -0.107568486904E+04 -0.14436E-03 -0.15120E-03 1434 0.146E-02 0.908E-03
RMM: 21 -0.107568501267E+04 -0.14363E-03 -0.15027E-03 1405 0.148E-02 0.990E-03
RMM: 22 -0.107568514303E+04 -0.13036E-03 -0.13822E-03 1506 0.160E-02 0.107E-02
RMM: 23 -0.107568527146E+04 -0.12843E-03 -0.13475E-03 1418 0.141E-02 0.115E-02
RMM: 24 -0.107568538761E+04 -0.11615E-03 -0.12311E-03 1457 0.146E-02 0.121E-02
RMM: 25 -0.107568550166E+04 -0.11405E-03 -0.12094E-03 1424 0.148E-02 0.129E-02
RMM: 26 -0.107568560524E+04 -0.10357E-03 -0.11092E-03 1432 0.155E-02 0.135E-02
RMM: 27 -0.107568570849E+04 -0.10325E-03 -0.11115E-03 1496 0.158E-02 0.141E-02
RMM: 28 -0.107568580194E+04 -0.93452E-04 -0.10040E-03 1436 0.147E-02 0.148E-02
RMM: 29 -0.107568589170E+04 -0.89764E-04 -0.96296E-04 1368 0.146E-02
415 T= 749. E= -.10763394E+04 F= -.10756859E+04 E0= -.10756409E+04 EK= 0.15000E+02 SP= -.16E+02 SK= 0.98E-03
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107569024800E+04 -0.44461E-02 -0.12374E+00 3395 0.113E+00 0.342E-01
RMM: 2 -0.107569618479E+04 -0.59368E-02 -0.90937E-02 4198 0.315E-01 0.264E-01
RMM: 3 -0.107569675317E+04 -0.56838E-03 -0.20041E-02 4176 0.118E-01 0.230E-01
RMM: 4 -0.107569656712E+04 0.18604E-03 -0.58026E-03 3587 0.514E-02 0.138E-01
RMM: 5 -0.107569678610E+04 -0.21897E-03 -0.38108E-03 3143 0.349E-02 0.448E-02
RMM: 6 -0.107569698115E+04 -0.19506E-03 -0.21506E-03 2854 0.195E-02 0.331E-02
RMM: 7 -0.107569712226E+04 -0.14110E-03 -0.17587E-03 2077 0.124E-02 0.194E-02
RMM: 8 -0.107569728483E+04 -0.16257E-03 -0.17269E-03 2165 0.128E-02 0.709E-03
RMM: 9 -0.107569744350E+04 -0.15868E-03 -0.16050E-03 1869 0.851E-03 0.496E-03
RMM: 10 -0.107569759360E+04 -0.15009E-03 -0.15079E-03 1801 0.982E-03 0.314E-03
RMM: 11 -0.107569774703E+04 -0.15343E-03 -0.15903E-03 2152 0.155E-02 0.223E-03
RMM: 12 -0.107569789466E+04 -0.14763E-03 -0.15354E-03 1828 0.126E-02 0.182E-03
RMM: 13 -0.107569803677E+04 -0.14211E-03 -0.14660E-03 1534 0.113E-02 0.225E-03
RMM: 14 -0.107569817712E+04 -0.14035E-03 -0.14653E-03 1535 0.148E-02 0.317E-03
RMM: 15 -0.107569831865E+04 -0.14153E-03 -0.14818E-03 1523 0.159E-02 0.360E-03
RMM: 16 -0.107569845891E+04 -0.14027E-03 -0.14749E-03 1537 0.154E-02 0.441E-03
RMM: 17 -0.107569859475E+04 -0.13584E-03 -0.14123E-03 1419 0.138E-02 0.504E-03
RMM: 18 -0.107569872896E+04 -0.13421E-03 -0.14074E-03 1495 0.157E-02 0.570E-03
RMM: 19 -0.107569886397E+04 -0.13501E-03 -0.14266E-03 1548 0.163E-02 0.642E-03
RMM: 20 -0.107569899523E+04 -0.13126E-03 -0.13729E-03 1463 0.142E-02 0.707E-03
RMM: 21 -0.107569912501E+04 -0.12979E-03 -0.13672E-03 1514 0.155E-02 0.771E-03
RMM: 22 -0.107569925431E+04 -0.12930E-03 -0.13632E-03 1530 0.160E-02 0.835E-03
RMM: 23 -0.107569938097E+04 -0.12666E-03 -0.13334E-03 1450 0.153E-02 0.903E-03
RMM: 24 -0.107569950726E+04 -0.12629E-03 -0.13366E-03 1526 0.164E-02 0.962E-03
RMM: 25 -0.107569963242E+04 -0.12516E-03 -0.13242E-03 1528 0.160E-02 0.103E-02
RMM: 26 -0.107569975506E+04 -0.12264E-03 -0.12961E-03 1470 0.151E-02 0.109E-02
RMM: 27 -0.107569987649E+04 -0.12143E-03 -0.12816E-03 1487 0.155E-02 0.115E-02
RMM: 28 -0.107569999745E+04 -0.12096E-03 -0.12785E-03 1494 0.157E-02 0.121E-02
RMM: 29 -0.107570011555E+04 -0.11810E-03 -0.12466E-03 1462 0.147E-02 0.127E-02
RMM: 30 -0.107570023132E+04 -0.11577E-03 -0.12210E-03 1436 0.150E-02 0.133E-02
RMM: 31 -0.107570034702E+04 -0.11570E-03 -0.12298E-03 1485 0.163E-02 0.139E-02
RMM: 32 -0.107570046177E+04 -0.11475E-03 -0.12223E-03 1469 0.161E-02 0.145E-02
RMM: 33 -0.107570057387E+04 -0.11210E-03 -0.11857E-03 1422 0.149E-02 0.151E-02
RMM: 34 -0.107570068461E+04 -0.11073E-03 -0.11783E-03 1452 0.157E-02 0.156E-02
RMM: 35 -0.107570079418E+04 -0.10957E-03 -0.11682E-03 1451 0.158E-02 0.162E-02
RMM: 36 -0.107570090291E+04 -0.10873E-03 -0.11618E-03 1463 0.158E-02 0.168E-02
RMM: 37 -0.107570101081E+04 -0.10790E-03 -0.11486E-03 1454 0.155E-02 0.173E-02
RMM: 38 -0.107570111408E+04 -0.10327E-03 -0.10986E-03 1392 0.147E-02 0.179E-02
RMM: 39 -0.107570121795E+04 -0.10387E-03 -0.11086E-03 1443 0.161E-02 0.184E-02
RMM: 40 -0.107570132073E+04 -0.10277E-03 -0.11018E-03 1456 0.162E-02 0.189E-02
RMM: 41 -0.107570142234E+04 -0.10161E-03 -0.10878E-03 1408 0.151E-02 0.194E-02
RMM: 42 -0.107570152121E+04 -0.98879E-04 -0.10549E-03 1408 0.149E-02 0.199E-02
RMM: 43 -0.107570161966E+04 -0.98449E-04 -0.10549E-03 1441 0.153E-02 0.204E-02
RMM: 44 -0.107570171572E+04 -0.96058E-04 -0.10269E-03 1375 0.147E-02 0.208E-02
RMM: 45 -0.107570181103E+04 -0.95311E-04 -0.10232E-03 1421 0.151E-02 0.212E-02
RMM: 46 -0.107570190363E+04 -0.92600E-04 -0.99590E-04 1415 0.148E-02
416 T= 747. E= -.10763523E+04 F= -.10757019E+04 E0= -.10756585E+04 EK= 0.14964E+02 SP= -.16E+02 SK= 0.34E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107557956333E+04 0.12225E+00 -0.13375E+00 3379 0.116E+00 0.354E-01
RMM: 2 -0.107558629161E+04 -0.67283E-02 -0.90763E-02 4119 0.313E-01 0.270E-01
RMM: 3 -0.107558744782E+04 -0.11562E-02 -0.20013E-02 4110 0.114E-01 0.193E-01
RMM: 4 -0.107558766628E+04 -0.21845E-03 -0.61621E-03 3551 0.529E-02 0.118E-01
RMM: 5 -0.107558746538E+04 0.20089E-03 -0.26202E-03 3156 0.311E-02 0.456E-02
RMM: 6 -0.107558757918E+04 -0.11380E-03 -0.14792E-03 2497 0.171E-02 0.278E-02
RMM: 7 -0.107558768405E+04 -0.10488E-03 -0.12247E-03 2088 0.120E-02 0.148E-02
RMM: 8 -0.107558778920E+04 -0.10514E-03 -0.11175E-03 1991 0.105E-02 0.580E-03
RMM: 9 -0.107558789261E+04 -0.10342E-03 -0.10564E-03 1835 0.103E-02 0.360E-03
RMM: 10 -0.107558799777E+04 -0.10516E-03 -0.11017E-03 1966 0.137E-02 0.178E-03
RMM: 11 -0.107558809652E+04 -0.98751E-04 -0.10411E-03 1933 0.130E-02 0.119E-03
RMM: 12 -0.107558819476E+04 -0.98239E-04 -0.10477E-03 1790 0.134E-02 0.126E-03
RMM: 13 -0.107558828964E+04 -0.94878E-04 -0.10151E-03 1561 0.137E-02 0.150E-03
RMM: 14 -0.107558838432E+04 -0.94683E-04 -0.10198E-03 1481 0.150E-02 0.225E-03
RMM: 15 -0.107558847988E+04 -0.95557E-04 -0.10208E-03 1495 0.149E-02 0.257E-03
RMM: 16 -0.107558857345E+04 -0.93564E-04 -0.99619E-04 1436 0.135E-02
417 T= 738. E= -.10763451E+04 F= -.10755886E+04 E0= -.10755478E+04 EK= 0.14795E+02 SP= -.16E+02 SK= 0.66E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107542592513E+04 0.16255E+00 -0.17398E+00 3392 0.127E+00 0.452E-01
RMM: 2 -0.107543236619E+04 -0.64411E-02 -0.10863E-01 4097 0.344E-01 0.330E-01
RMM: 3 -0.107543316327E+04 -0.79708E-03 -0.25209E-02 4076 0.127E-01 0.160E-01
RMM: 4 -0.107543396730E+04 -0.80403E-03 -0.81562E-03 3728 0.594E-02 0.114E-01
RMM: 5 -0.107543365072E+04 0.31658E-03 -0.31306E-03 3038 0.285E-02 0.649E-02
RMM: 6 -0.107543385882E+04 -0.20810E-03 -0.26407E-03 2831 0.212E-02 0.189E-02
RMM: 7 -0.107543402820E+04 -0.16937E-03 -0.19682E-03 2078 0.137E-02 0.110E-02
RMM: 8 -0.107543420854E+04 -0.18034E-03 -0.18582E-03 2041 0.124E-02 0.101E-02
RMM: 9 -0.107543438049E+04 -0.17195E-03 -0.17377E-03 1851 0.897E-03 0.600E-03
RMM: 10 -0.107543454091E+04 -0.16042E-03 -0.16343E-03 1795 0.967E-03 0.238E-03
RMM: 11 -0.107543469768E+04 -0.15677E-03 -0.16155E-03 1943 0.121E-02 0.188E-03
RMM: 12 -0.107543484833E+04 -0.15065E-03 -0.15655E-03 1897 0.131E-02 0.156E-03
RMM: 13 -0.107543499315E+04 -0.14482E-03 -0.15020E-03 1617 0.127E-02 0.124E-03
RMM: 14 -0.107543513325E+04 -0.14010E-03 -0.14800E-03 1640 0.156E-02 0.124E-03
RMM: 15 -0.107543527085E+04 -0.13760E-03 -0.14428E-03 1564 0.151E-02 0.152E-03
RMM: 16 -0.107543540453E+04 -0.13368E-03 -0.14041E-03 1566 0.156E-02 0.268E-03
RMM: 17 -0.107543553522E+04 -0.13069E-03 -0.13727E-03 1531 0.153E-02 0.244E-03
RMM: 18 -0.107543566203E+04 -0.12681E-03 -0.13391E-03 1574 0.158E-02 0.206E-03
RMM: 19 -0.107543578765E+04 -0.12563E-03 -0.13293E-03 1561 0.157E-02 0.207E-03
RMM: 20 -0.107543590894E+04 -0.12129E-03 -0.12781E-03 1484 0.142E-02 0.248E-03
RMM: 21 -0.107543602863E+04 -0.11969E-03 -0.12585E-03 1484 0.139E-02 0.296E-03
RMM: 22 -0.107543614350E+04 -0.11487E-03 -0.12089E-03 1448 0.139E-02 0.355E-03
RMM: 23 -0.107543625780E+04 -0.11429E-03 -0.12109E-03 1462 0.149E-02 0.416E-03
RMM: 24 -0.107543636956E+04 -0.11176E-03 -0.11879E-03 1462 0.150E-02 0.469E-03
RMM: 25 -0.107543647914E+04 -0.10958E-03 -0.11692E-03 1489 0.153E-02 0.521E-03
RMM: 26 -0.107543658715E+04 -0.10801E-03 -0.11481E-03 1463 0.151E-02 0.576E-03
RMM: 27 -0.107543669303E+04 -0.10589E-03 -0.11284E-03 1447 0.151E-02 0.628E-03
RMM: 28 -0.107543679725E+04 -0.10422E-03 -0.11163E-03 1500 0.158E-02 0.679E-03
RMM: 29 -0.107543689898E+04 -0.10173E-03 -0.10850E-03 1442 0.156E-02 0.733E-03
RMM: 30 -0.107543700167E+04 -0.10269E-03 -0.11019E-03 1504 0.163E-02 0.781E-03
RMM: 31 -0.107543710097E+04 -0.99293E-04 -0.10550E-03 1404 0.148E-02 0.835E-03
RMM: 32 -0.107543719977E+04 -0.98798E-04 -0.10615E-03 1473 0.160E-02 0.885E-03
RMM: 33 -0.107543729743E+04 -0.97663E-04 -0.10457E-03 1455 0.156E-02 0.937E-03
RMM: 34 -0.107543739379E+04 -0.96364E-04 -0.10346E-03 1469 0.155E-02 0.989E-03
RMM: 35 -0.107543748867E+04 -0.94880E-04 -0.10183E-03 1437 0.153E-02 0.104E-02
RMM: 36 -0.107543758187E+04 -0.93196E-04 -0.99974E-04 1422 0.156E-02
418 T= 728. E= -.10763234E+04 F= -.10754376E+04 E0= -.10753983E+04 EK= 0.14586E+02 SP= -.15E+02 SK= 0.99E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107550997513E+04 -0.72486E-01 -0.16663E+00 3338 0.126E+00 0.436E-01
RMM: 2 -0.107551654289E+04 -0.65678E-02 -0.10548E-01 4118 0.340E-01 0.325E-01
RMM: 3 -0.107551739328E+04 -0.85039E-03 -0.22975E-02 4060 0.127E-01 0.196E-01
RMM: 4 -0.107551782578E+04 -0.43249E-03 -0.85273E-03 3725 0.634E-02 0.121E-01
RMM: 5 -0.107551751707E+04 0.30871E-03 -0.25557E-03 3151 0.304E-02 0.672E-02
RMM: 6 -0.107551767044E+04 -0.15337E-03 -0.18581E-03 2848 0.193E-02 0.324E-02
RMM: 7 -0.107551776919E+04 -0.98745E-04 -0.14761E-03 2190 0.132E-02 0.150E-02
RMM: 8 -0.107551788389E+04 -0.11470E-03 -0.12701E-03 2001 0.111E-02 0.917E-03
RMM: 9 -0.107551801102E+04 -0.12713E-03 -0.12977E-03 2018 0.113E-02 0.552E-03
RMM: 10 -0.107551812520E+04 -0.11418E-03 -0.11885E-03 1879 0.109E-02 0.234E-03
RMM: 11 -0.107551823869E+04 -0.11349E-03 -0.11757E-03 1873 0.106E-02 0.200E-03
RMM: 12 -0.107551834351E+04 -0.10482E-03 -0.10954E-03 1824 0.114E-02 0.211E-03
RMM: 13 -0.107551844788E+04 -0.10437E-03 -0.11034E-03 1608 0.129E-02 0.236E-03
RMM: 14 -0.107551854702E+04 -0.99147E-04 -0.10638E-03 1555 0.146E-02 0.331E-03
RMM: 15 -0.107551864618E+04 -0.99157E-04 -0.10639E-03 1579 0.149E-02 0.331E-03
RMM: 16 -0.107551873916E+04 -0.92983E-04 -0.10048E-03 1512 0.146E-02 0.394E-03
RMM: 17 -0.107551883391E+04 -0.94745E-04 -0.10338E-03 1483 0.152E-02 0.472E-03
RMM: 18 -0.107551891899E+04 -0.85082E-04 -0.97009E-04 1535 0.157E-02
419 T= 727. E= -.10763422E+04 F= -.10755189E+04 E0= -.10754795E+04 EK= 0.14557E+02 SP= -.15E+02 SK= 0.13E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107564895189E+04 -0.13012E+00 -0.16333E+00 3367 0.123E+00 0.466E-01
RMM: 2 -0.107565507133E+04 -0.61194E-02 -0.10178E-01 4097 0.321E-01 0.345E-01
RMM: 3 -0.107565552055E+04 -0.44921E-03 -0.24183E-02 3913 0.121E-01 0.152E-01
RMM: 4 -0.107565616486E+04 -0.64432E-03 -0.73562E-03 3610 0.550E-02 0.940E-02
RMM: 5 -0.107565621086E+04 -0.46002E-04 -0.29814E-03 2849 0.256E-02 0.721E-02
RMM: 6 -0.107565636638E+04 -0.15552E-03 -0.24391E-03 2782 0.207E-02 0.212E-02
RMM: 7 -0.107565653327E+04 -0.16689E-03 -0.19319E-03 1999 0.131E-02 0.131E-02
RMM: 8 -0.107565669421E+04 -0.16094E-03 -0.17017E-03 2037 0.123E-02 0.109E-02
RMM: 9 -0.107565686115E+04 -0.16694E-03 -0.17054E-03 1905 0.111E-02 0.784E-03
RMM: 10 -0.107565700849E+04 -0.14734E-03 -0.15289E-03 1958 0.115E-02 0.275E-03
RMM: 11 -0.107565715705E+04 -0.14857E-03 -0.15228E-03 1863 0.110E-02 0.227E-03
RMM: 12 -0.107565728872E+04 -0.13167E-03 -0.13725E-03 1920 0.124E-02 0.231E-03
RMM: 13 -0.107565742087E+04 -0.13214E-03 -0.13786E-03 1601 0.127E-02 0.320E-03
RMM: 14 -0.107565754096E+04 -0.12010E-03 -0.12723E-03 1587 0.151E-02 0.305E-03
RMM: 15 -0.107565766218E+04 -0.12121E-03 -0.12864E-03 1606 0.159E-02 0.375E-03
RMM: 16 -0.107565777145E+04 -0.10928E-03 -0.11680E-03 1575 0.156E-02 0.423E-03
RMM: 17 -0.107565788138E+04 -0.10992E-03 -0.11767E-03 1541 0.157E-02 0.467E-03
RMM: 18 -0.107565798231E+04 -0.10093E-03 -0.11001E-03 1597 0.164E-02 0.489E-03
RMM: 19 -0.107565808248E+04 -0.10017E-03 -0.11095E-03 1526 0.159E-02 0.530E-03
RMM: 20 -0.107565817245E+04 -0.89977E-04 -0.10076E-03 1531 0.152E-02 0.591E-03
RMM: 21 -0.107565826257E+04 -0.90117E-04 -0.96552E-04 1440 0.140E-02
420 T= 727. E= -.10763629E+04 F= -.10756583E+04 E0= -.10756180E+04 EK= 0.14571E+02 SP= -.15E+02 SK= 0.16E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107556026162E+04 0.97911E-01 -0.14785E+00 3348 0.121E+00 0.391E-01
RMM: 2 -0.107556742597E+04 -0.71644E-02 -0.96837E-02 4083 0.325E-01 0.291E-01
RMM: 3 -0.107556863354E+04 -0.12076E-02 -0.21744E-02 3961 0.120E-01 0.171E-01
RMM: 4 -0.107556905061E+04 -0.41707E-03 -0.62094E-03 3540 0.555E-02 0.777E-02
RMM: 5 -0.107556903458E+04 0.16034E-04 -0.27148E-03 3137 0.283E-02 0.460E-02
RMM: 6 -0.107556912446E+04 -0.89888E-04 -0.15233E-03 2300 0.163E-02 0.212E-02
RMM: 7 -0.107556927067E+04 -0.14620E-03 -0.15613E-03 2152 0.134E-02 0.111E-02
RMM: 8 -0.107556938442E+04 -0.11375E-03 -0.12313E-03 1897 0.974E-03 0.571E-03
RMM: 9 -0.107556950992E+04 -0.12550E-03 -0.12976E-03 1885 0.122E-02 0.329E-03
RMM: 10 -0.107556962899E+04 -0.11907E-03 -0.12993E-03 2329 0.186E-02 0.182E-03
RMM: 11 -0.107556974832E+04 -0.11933E-03 -0.12406E-03 1834 0.114E-02 0.169E-03
RMM: 12 -0.107556985314E+04 -0.10482E-03 -0.11019E-03 1808 0.125E-02 0.209E-03
RMM: 13 -0.107556996349E+04 -0.11035E-03 -0.11735E-03 1620 0.145E-02 0.276E-03
RMM: 14 -0.107557006607E+04 -0.10257E-03 -0.11063E-03 1647 0.156E-02 0.326E-03
RMM: 15 -0.107557016966E+04 -0.10359E-03 -0.11029E-03 1501 0.139E-02 0.396E-03
RMM: 16 -0.107557026520E+04 -0.95536E-04 -0.10252E-03 1542 0.149E-02 0.449E-03
RMM: 17 -0.107557036297E+04 -0.97770E-04 -0.10468E-03 1530 0.146E-02 0.518E-03
RMM: 18 -0.107557045150E+04 -0.88537E-04 -0.95413E-04 1463 0.146E-02
421 T= 717. E= -.10763574E+04 F= -.10755705E+04 E0= -.10755303E+04 EK= 0.14373E+02 SP= -.15E+02 SK= 0.19E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107531189341E+04 0.25847E+00 -0.16646E+00 3371 0.130E+00 0.397E-01
RMM: 2 -0.107531952089E+04 -0.76275E-02 -0.10635E-01 4113 0.357E-01 0.291E-01
RMM: 3 -0.107532072647E+04 -0.12056E-02 -0.22009E-02 4066 0.127E-01 0.174E-01
RMM: 4 -0.107532125519E+04 -0.52871E-03 -0.72113E-03 3709 0.601E-02 0.105E-01
RMM: 5 -0.107532096840E+04 0.28679E-03 -0.23454E-03 3112 0.292E-02 0.479E-02
RMM: 6 -0.107532108588E+04 -0.11748E-03 -0.16380E-03 2604 0.178E-02 0.205E-02
RMM: 7 -0.107532120299E+04 -0.11711E-03 -0.12999E-03 2050 0.122E-02 0.120E-02
RMM: 8 -0.107532131329E+04 -0.11030E-03 -0.11901E-03 1949 0.107E-02 0.688E-03
RMM: 9 -0.107532142353E+04 -0.11024E-03 -0.11478E-03 1946 0.123E-02 0.314E-03
RMM: 10 -0.107532153580E+04 -0.11228E-03 -0.12005E-03 2142 0.153E-02 0.209E-03
RMM: 11 -0.107532163937E+04 -0.10357E-03 -0.10767E-03 1853 0.107E-02 0.171E-03
RMM: 12 -0.107532174043E+04 -0.10106E-03 -0.10627E-03 1847 0.122E-02 0.146E-03
RMM: 13 -0.107532183740E+04 -0.96971E-04 -0.10273E-03 1597 0.130E-02 0.125E-03
RMM: 14 -0.107532193300E+04 -0.95602E-04 -0.10286E-03 1669 0.151E-02 0.853E-04
RMM: 15 -0.107532202591E+04 -0.92912E-04 -0.99653E-04 1562 0.143E-02
422 T= 701. E= -.10763185E+04 F= -.10753220E+04 E0= -.10752833E+04 EK= 0.14043E+02 SP= -.15E+02 SK= 0.20E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107535077099E+04 -0.28838E-01 -0.17357E+00 3358 0.131E+00 0.439E-01
RMM: 2 -0.107535760641E+04 -0.68354E-02 -0.10618E-01 4121 0.351E-01 0.322E-01
RMM: 3 -0.107535831919E+04 -0.71278E-03 -0.21774E-02 3982 0.128E-01 0.168E-01
RMM: 4 -0.107535872348E+04 -0.40429E-03 -0.62086E-03 3725 0.595E-02 0.808E-02
RMM: 5 -0.107535866792E+04 0.55566E-04 -0.18998E-03 3025 0.269E-02 0.585E-02
RMM: 6 -0.107535870514E+04 -0.37223E-04 -0.11667E-03 2568 0.181E-02 0.211E-02
RMM: 7 -0.107535879573E+04 -0.90589E-04 -0.94352E-04 2075 0.126E-02
423 T= 697. E= -.10763201E+04 F= -.10753588E+04 E0= -.10753219E+04 EK= 0.13960E+02 SP= -.15E+02 SK= 0.20E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107562375502E+04 -0.26505E+00 -0.97291E-01 3437 0.102E+00 0.289E-01
RMM: 2 -0.107562820962E+04 -0.44546E-02 -0.59839E-02 3995 0.264E-01 0.204E-01
RMM: 3 -0.107562926660E+04 -0.10570E-02 -0.14203E-02 3866 0.102E-01 0.126E-01
RMM: 4 -0.107562962017E+04 -0.35357E-03 -0.46157E-03 3627 0.464E-02 0.852E-02
RMM: 5 -0.107562958269E+04 0.37486E-04 -0.20040E-03 2890 0.241E-02 0.393E-02
RMM: 6 -0.107562972055E+04 -0.13786E-03 -0.15007E-03 2332 0.156E-02 0.162E-02
RMM: 7 -0.107562983310E+04 -0.11255E-03 -0.12496E-03 2073 0.129E-02 0.102E-02
RMM: 8 -0.107562994664E+04 -0.11353E-03 -0.11865E-03 1997 0.120E-02 0.566E-03
RMM: 9 -0.107563005727E+04 -0.11063E-03 -0.11537E-03 1991 0.126E-02 0.362E-03
RMM: 10 -0.107563016135E+04 -0.10408E-03 -0.10688E-03 1902 0.106E-02 0.202E-03
RMM: 11 -0.107563025831E+04 -0.96956E-04 -0.10228E-03 1929 0.129E-02 0.165E-03
RMM: 12 -0.107563035339E+04 -0.95082E-04 -0.10131E-03 1932 0.142E-02 0.904E-04
RMM: 13 -0.107563044332E+04 -0.89933E-04 -0.97373E-04 1712 0.149E-02
424 T= 703. E= -.10763541E+04 F= -.10756304E+04 E0= -.10755946E+04 EK= 0.14083E+02 SP= -.15E+02 SK= 0.19E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107568165423E+04 -0.51301E-01 -0.10952E+00 3384 0.103E+00 0.341E-01
RMM: 2 -0.107568645732E+04 -0.48031E-02 -0.66181E-02 4008 0.267E-01 0.246E-01
RMM: 3 -0.107568700900E+04 -0.55168E-03 -0.14655E-02 3731 0.101E-01 0.109E-01
RMM: 4 -0.107568745007E+04 -0.44108E-03 -0.49626E-03 3614 0.468E-02 0.698E-02
RMM: 5 -0.107568748332E+04 -0.33251E-04 -0.19950E-03 2614 0.218E-02 0.525E-02
RMM: 6 -0.107568761446E+04 -0.13114E-03 -0.17225E-03 2628 0.170E-02 0.140E-02
RMM: 7 -0.107568773541E+04 -0.12095E-03 -0.13151E-03 1942 0.115E-02 0.947E-03
RMM: 8 -0.107568785769E+04 -0.12228E-03 -0.13033E-03 1895 0.116E-02 0.706E-03
RMM: 9 -0.107568797532E+04 -0.11764E-03 -0.12298E-03 1916 0.129E-02 0.378E-03
RMM: 10 -0.107568809541E+04 -0.12009E-03 -0.12587E-03 1955 0.126E-02 0.186E-03
RMM: 11 -0.107568820422E+04 -0.10881E-03 -0.11290E-03 1847 0.115E-02 0.180E-03
RMM: 12 -0.107568831623E+04 -0.11201E-03 -0.11819E-03 1894 0.135E-02 0.221E-03
RMM: 13 -0.107568841784E+04 -0.10161E-03 -0.10660E-03 1594 0.128E-02 0.368E-03
RMM: 14 -0.107568852364E+04 -0.10580E-03 -0.11421E-03 1662 0.156E-02 0.304E-03
RMM: 15 -0.107568861981E+04 -0.96176E-04 -0.10280E-03 1547 0.143E-02 0.264E-03
RMM: 16 -0.107568871884E+04 -0.99023E-04 -0.10695E-03 1643 0.162E-02 0.255E-03
RMM: 17 -0.107568881228E+04 -0.93444E-04 -0.10052E-03 1543 0.155E-02 0.295E-03
RMM: 18 -0.107568890755E+04 -0.95271E-04 -0.10249E-03 1560 0.159E-02 0.360E-03
RMM: 19 -0.107568899650E+04 -0.88952E-04 -0.95456E-04 1481 0.148E-02
425 T= 700. E= -.10763493E+04 F= -.10756890E+04 E0= -.10756520E+04 EK= 0.14031E+02 SP= -.15E+02 SK= 0.19E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107558318522E+04 0.10572E+00 -0.13779E+00 3326 0.115E+00 0.376E-01
RMM: 2 -0.107558853404E+04 -0.53488E-02 -0.84260E-02 4071 0.308E-01 0.281E-01
RMM: 3 -0.107558879468E+04 -0.26064E-03 -0.17749E-02 3883 0.110E-01 0.134E-01
RMM: 4 -0.107558904541E+04 -0.25073E-03 -0.44587E-03 3569 0.476E-02 0.682E-02
RMM: 5 -0.107558911986E+04 -0.74454E-04 -0.15927E-03 2831 0.227E-02 0.429E-02
RMM: 6 -0.107558918691E+04 -0.67052E-04 -0.11016E-03 2402 0.164E-02 0.183E-02
RMM: 7 -0.107558925972E+04 -0.72806E-04 -0.92790E-04 2097 0.135E-02
426 T= 691. E= -.10763283E+04 F= -.10755893E+04 E0= -.10755514E+04 EK= 0.13839E+02 SP= -.15E+02 SK= 0.18E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107560885395E+04 -0.19667E-01 -0.11803E+00 3347 0.112E+00 0.299E-01
RMM: 2 -0.107561486910E+04 -0.60152E-02 -0.77299E-02 4047 0.304E-01 0.232E-01
RMM: 3 -0.107561580430E+04 -0.93520E-03 -0.15875E-02 3877 0.111E-01 0.145E-01
RMM: 4 -0.107561612242E+04 -0.31812E-03 -0.53910E-03 3419 0.528E-02 0.570E-02
RMM: 5 -0.107561627477E+04 -0.15235E-03 -0.26363E-03 3140 0.269E-02 0.447E-02
RMM: 6 -0.107561638528E+04 -0.11051E-03 -0.17816E-03 2144 0.158E-02 0.243E-02
RMM: 7 -0.107561654514E+04 -0.15986E-03 -0.17172E-03 2145 0.153E-02 0.904E-03
RMM: 8 -0.107561669164E+04 -0.14650E-03 -0.15155E-03 1860 0.973E-03 0.607E-03
RMM: 9 -0.107561682926E+04 -0.13762E-03 -0.14026E-03 1768 0.111E-02 0.478E-03
RMM: 10 -0.107561697093E+04 -0.14167E-03 -0.15048E-03 2272 0.190E-02 0.252E-03
RMM: 11 -0.107561710209E+04 -0.13117E-03 -0.13573E-03 1843 0.126E-02 0.182E-03
RMM: 12 -0.107561723041E+04 -0.12832E-03 -0.13483E-03 2018 0.141E-02 0.223E-03
RMM: 13 -0.107561735171E+04 -0.12130E-03 -0.12697E-03 1733 0.124E-02 0.290E-03
RMM: 14 -0.107561746801E+04 -0.11629E-03 -0.12136E-03 1547 0.132E-02 0.279E-03
RMM: 15 -0.107561758171E+04 -0.11370E-03 -0.12330E-03 1699 0.172E-02 0.271E-03
RMM: 16 -0.107561769197E+04 -0.11026E-03 -0.11822E-03 1677 0.160E-02 0.265E-03
RMM: 17 -0.107561779905E+04 -0.10707E-03 -0.11526E-03 1695 0.164E-02 0.285E-03
RMM: 18 -0.107561790171E+04 -0.10266E-03 -0.10933E-03 1492 0.148E-02 0.326E-03
RMM: 19 -0.107561800292E+04 -0.10121E-03 -0.10947E-03 1606 0.169E-02 0.381E-03
RMM: 20 -0.107561810128E+04 -0.98368E-04 -0.10537E-03 1503 0.155E-02 0.426E-03
RMM: 21 -0.107561819728E+04 -0.95997E-04 -0.10360E-03 1561 0.161E-02 0.473E-03
RMM: 22 -0.107561828992E+04 -0.92643E-04 -0.99536E-04 1487 0.149E-02
427 T= 686. E= -.10763401E+04 F= -.10756183E+04 E0= -.10755786E+04 EK= 0.13750E+02 SP= -.14E+02 SK= 0.16E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107566619630E+04 -0.47999E-01 -0.11734E+00 3377 0.109E+00 0.332E-01
RMM: 2 -0.107567181071E+04 -0.56144E-02 -0.73356E-02 3990 0.282E-01 0.250E-01
RMM: 3 -0.107567260777E+04 -0.79706E-03 -0.15530E-02 3702 0.104E-01 0.134E-01
RMM: 4 -0.107567314706E+04 -0.53929E-03 -0.56506E-03 3524 0.494E-02 0.730E-02
RMM: 5 -0.107567314581E+04 0.12438E-05 -0.24247E-03 2928 0.238E-02 0.494E-02
RMM: 6 -0.107567327712E+04 -0.13131E-03 -0.18267E-03 2563 0.166E-02 0.139E-02
RMM: 7 -0.107567342546E+04 -0.14833E-03 -0.15702E-03 1925 0.118E-02 0.749E-03
RMM: 8 -0.107567356496E+04 -0.13950E-03 -0.14340E-03 1862 0.105E-02 0.623E-03
RMM: 9 -0.107567370341E+04 -0.13845E-03 -0.14253E-03 1869 0.114E-02 0.391E-03
RMM: 10 -0.107567383528E+04 -0.13187E-03 -0.13692E-03 1956 0.122E-02 0.157E-03
RMM: 11 -0.107567396176E+04 -0.12647E-03 -0.13170E-03 1797 0.119E-02 0.160E-03
RMM: 12 -0.107567408408E+04 -0.12233E-03 -0.12911E-03 1879 0.140E-02 0.196E-03
RMM: 13 -0.107567420190E+04 -0.11782E-03 -0.12349E-03 1581 0.125E-02 0.286E-03
RMM: 14 -0.107567431502E+04 -0.11311E-03 -0.12103E-03 1588 0.153E-02 0.301E-03
RMM: 15 -0.107567442605E+04 -0.11104E-03 -0.11932E-03 1561 0.162E-02 0.347E-03
RMM: 16 -0.107567453270E+04 -0.10665E-03 -0.11519E-03 1584 0.166E-02 0.382E-03
RMM: 17 -0.107567463802E+04 -0.10532E-03 -0.11309E-03 1572 0.164E-02 0.446E-03
RMM: 18 -0.107567473857E+04 -0.10055E-03 -0.10732E-03 1475 0.151E-02 0.505E-03
RMM: 19 -0.107567483648E+04 -0.97907E-04 -0.10555E-03 1512 0.160E-02 0.542E-03
RMM: 20 -0.107567493089E+04 -0.94410E-04 -0.10223E-03 1483 0.159E-02 0.600E-03
RMM: 21 -0.107567502291E+04 -0.92020E-04 -0.99726E-04 1511 0.158E-02
428 T= 683. E= -.10763596E+04 F= -.10756750E+04 E0= -.10756335E+04 EK= 0.13690E+02 SP= -.14E+02 SK= 0.13E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107555226802E+04 0.12266E+00 -0.14001E+00 3290 0.115E+00 0.371E-01
RMM: 2 -0.107555890803E+04 -0.66400E-02 -0.92963E-02 4074 0.312E-01 0.289E-01
RMM: 3 -0.107555968132E+04 -0.77329E-03 -0.19632E-02 3905 0.113E-01 0.170E-01
RMM: 4 -0.107556027717E+04 -0.59585E-03 -0.69057E-03 3591 0.552E-02 0.946E-02
RMM: 5 -0.107556004083E+04 0.23634E-03 -0.25232E-03 2995 0.274E-02 0.536E-02
RMM: 6 -0.107556016275E+04 -0.12192E-03 -0.18494E-03 2700 0.174E-02 0.222E-02
RMM: 7 -0.107556029706E+04 -0.13431E-03 -0.14431E-03 2010 0.122E-02 0.108E-02
RMM: 8 -0.107556042359E+04 -0.12653E-03 -0.13641E-03 1939 0.110E-02 0.701E-03
RMM: 9 -0.107556054571E+04 -0.12213E-03 -0.12642E-03 1839 0.114E-02 0.448E-03
RMM: 10 -0.107556067179E+04 -0.12608E-03 -0.13441E-03 2175 0.154E-02 0.252E-03
RMM: 11 -0.107556078403E+04 -0.11224E-03 -0.11620E-03 1800 0.105E-02 0.179E-03
RMM: 12 -0.107556089577E+04 -0.11175E-03 -0.11840E-03 1990 0.136E-02 0.208E-03
RMM: 13 -0.107556099867E+04 -0.10290E-03 -0.10912E-03 1582 0.124E-02 0.277E-03
RMM: 14 -0.107556110141E+04 -0.10273E-03 -0.11056E-03 1610 0.154E-02 0.287E-03
RMM: 15 -0.107556120013E+04 -0.98727E-04 -0.10756E-03 1603 0.157E-02 0.293E-03
RMM: 16 -0.107556129322E+04 -0.93088E-04 -0.10257E-03 1569 0.152E-02 0.256E-03
RMM: 17 -0.107556138337E+04 -0.90151E-04 -0.98159E-04 1623 0.154E-02
429 T= 674. E= -.10763535E+04 F= -.10755614E+04 E0= -.10755204E+04 EK= 0.13496E+02 SP= -.14E+02 SK= 0.99E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107537215024E+04 0.18914E+00 -0.16030E+00 3303 0.123E+00 0.439E-01
RMM: 2 -0.107537868728E+04 -0.65370E-02 -0.10540E-01 4109 0.337E-01 0.326E-01
RMM: 3 -0.107537928869E+04 -0.60140E-03 -0.22691E-02 4014 0.124E-01 0.168E-01
RMM: 4 -0.107537999047E+04 -0.70178E-03 -0.78248E-03 3696 0.591E-02 0.104E-01
RMM: 5 -0.107537974073E+04 0.24973E-03 -0.27358E-03 3038 0.278E-02 0.651E-02
RMM: 6 -0.107537986868E+04 -0.12795E-03 -0.21511E-03 2813 0.200E-02 0.251E-02
RMM: 7 -0.107538001400E+04 -0.14532E-03 -0.16024E-03 2017 0.128E-02 0.113E-02
RMM: 8 -0.107538016098E+04 -0.14698E-03 -0.15510E-03 1980 0.118E-02 0.824E-03
RMM: 9 -0.107538030269E+04 -0.14171E-03 -0.14350E-03 1830 0.885E-03 0.499E-03
RMM: 10 -0.107538043880E+04 -0.13611E-03 -0.13969E-03 1784 0.941E-03 0.224E-03
RMM: 11 -0.107538056773E+04 -0.12893E-03 -0.13403E-03 1820 0.113E-02 0.183E-03
RMM: 12 -0.107538069482E+04 -0.12709E-03 -0.13297E-03 1788 0.120E-02 0.192E-03
RMM: 13 -0.107538081397E+04 -0.11915E-03 -0.12518E-03 1550 0.118E-02 0.229E-03
RMM: 14 -0.107538093102E+04 -0.11705E-03 -0.12436E-03 1514 0.143E-02 0.336E-03
RMM: 15 -0.107538104310E+04 -0.11207E-03 -0.12136E-03 1582 0.163E-02 0.327E-03
RMM: 16 -0.107538115408E+04 -0.11098E-03 -0.11835E-03 1496 0.156E-02 0.376E-03
RMM: 17 -0.107538125936E+04 -0.10528E-03 -0.11211E-03 1447 0.154E-02 0.441E-03
RMM: 18 -0.107538136376E+04 -0.10440E-03 -0.11208E-03 1523 0.164E-02 0.476E-03
RMM: 19 -0.107538146322E+04 -0.99459E-04 -0.10663E-03 1448 0.152E-02 0.524E-03
RMM: 20 -0.107538156176E+04 -0.98534E-04 -0.10569E-03 1490 0.152E-02 0.580E-03
RMM: 21 -0.107538165419E+04 -0.92431E-04 -0.98871E-04 1415 0.142E-02
430 T= 662. E= -.10763382E+04 F= -.10753817E+04 E0= -.10753424E+04 EK= 0.13259E+02 SP= -.14E+02 SK= 0.62E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107534770490E+04 0.33857E-01 -0.15943E+00 3292 0.122E+00 0.405E-01
RMM: 2 -0.107535361227E+04 -0.59074E-02 -0.98132E-02 4080 0.332E-01 0.306E-01
RMM: 3 -0.107535412477E+04 -0.51250E-03 -0.19838E-02 3922 0.121E-01 0.167E-01
RMM: 4 -0.107535466032E+04 -0.53555E-03 -0.76074E-03 3639 0.594E-02 0.114E-01
RMM: 5 -0.107535425274E+04 0.40759E-03 -0.20841E-03 3031 0.282E-02 0.632E-02
RMM: 6 -0.107535439496E+04 -0.14222E-03 -0.18064E-03 2830 0.202E-02 0.219E-02
RMM: 7 -0.107535448690E+04 -0.91941E-04 -0.11992E-03 2057 0.125E-02 0.137E-02
RMM: 8 -0.107535459116E+04 -0.10426E-03 -0.11545E-03 1954 0.112E-02 0.981E-03
RMM: 9 -0.107535469443E+04 -0.10327E-03 -0.10597E-03 1863 0.938E-03 0.671E-03
RMM: 10 -0.107535479609E+04 -0.10166E-03 -0.10563E-03 1851 0.983E-03 0.225E-03
RMM: 11 -0.107535489155E+04 -0.95462E-04 -0.99437E-04 1811 0.102E-02
431 T= 658. E= -.10763268E+04 F= -.10753549E+04 E0= -.10753174E+04 EK= 0.13192E+02 SP= -.14E+02 SK= 0.28E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107555332560E+04 -0.19853E+00 -0.16735E+00 3262 0.126E+00 0.466E-01
RMM: 2 -0.107555968648E+04 -0.63609E-02 -0.10364E-01 4096 0.330E-01 0.344E-01
RMM: 3 -0.107556010774E+04 -0.42126E-03 -0.22282E-02 3884 0.123E-01 0.158E-01
RMM: 4 -0.107556084002E+04 -0.73228E-03 -0.81999E-03 3680 0.593E-02 0.976E-02
RMM: 5 -0.107556069429E+04 0.14572E-03 -0.25915E-03 2911 0.268E-02 0.649E-02
RMM: 6 -0.107556088551E+04 -0.19121E-03 -0.26705E-03 2791 0.216E-02 0.226E-02
RMM: 7 -0.107556102121E+04 -0.13570E-03 -0.16942E-03 2020 0.133E-02 0.122E-02
RMM: 8 -0.107556118670E+04 -0.16549E-03 -0.17473E-03 1999 0.118E-02 0.960E-03
RMM: 9 -0.107556133433E+04 -0.14763E-03 -0.15075E-03 1856 0.979E-03 0.822E-03
RMM: 10 -0.107556148616E+04 -0.15183E-03 -0.15636E-03 1838 0.989E-03 0.254E-03
RMM: 11 -0.107556162154E+04 -0.13538E-03 -0.13960E-03 1862 0.105E-02 0.194E-03
RMM: 12 -0.107556176011E+04 -0.13857E-03 -0.14351E-03 1801 0.110E-02 0.172E-03
RMM: 13 -0.107556188331E+04 -0.12320E-03 -0.12942E-03 1634 0.125E-02 0.212E-03
RMM: 14 -0.107556201072E+04 -0.12740E-03 -0.13474E-03 1559 0.139E-02 0.296E-03
RMM: 15 -0.107556212330E+04 -0.11258E-03 -0.11973E-03 1486 0.141E-02 0.331E-03
RMM: 16 -0.107556224123E+04 -0.11793E-03 -0.12504E-03 1580 0.162E-02 0.438E-03
RMM: 17 -0.107556234809E+04 -0.10686E-03 -0.11439E-03 1554 0.159E-02 0.405E-03
RMM: 18 -0.107556245607E+04 -0.10798E-03 -0.11546E-03 1577 0.156E-02 0.362E-03
RMM: 19 -0.107556255462E+04 -0.98557E-04 -0.10598E-03 1524 0.155E-02 0.333E-03
RMM: 20 -0.107556265492E+04 -0.10029E-03 -0.10802E-03 1533 0.159E-02 0.353E-03
RMM: 21 -0.107556274744E+04 -0.92523E-04 -0.10096E-03 1508 0.155E-02 0.399E-03
RMM: 22 -0.107556283888E+04 -0.91443E-04 -0.99136E-04 1470 0.144E-02
432 T= 666. E= -.10763522E+04 F= -.10755628E+04 E0= -.10755264E+04 EK= 0.13344E+02 SP= -.14E+02 SK= 0.83E-03
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107566670578E+04 -0.10396E+00 -0.11867E+00 3253 0.112E+00 0.318E-01
RMM: 2 -0.107567264928E+04 -0.59435E-02 -0.79170E-02 4106 0.308E-01 0.233E-01
RMM: 3 -0.107567378864E+04 -0.11394E-02 -0.16347E-02 3866 0.108E-01 0.153E-01
RMM: 4 -0.107567389005E+04 -0.10142E-03 -0.38424E-03 3416 0.479E-02 0.465E-02
RMM: 5 -0.107567402443E+04 -0.13438E-03 -0.16369E-03 2967 0.239E-02 0.306E-02
RMM: 6 -0.107567406472E+04 -0.40285E-04 -0.84490E-04 2042 0.140E-02
433 T= 670. E= -.10763599E+04 F= -.10756741E+04 E0= -.10756383E+04 EK= 0.13433E+02 SP= -.14E+02 SK= 0.67E-04
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107558716735E+04 0.86857E-01 -0.15258E+00 3336 0.127E+00 0.396E-01
RMM: 2 -0.107559434526E+04 -0.71779E-02 -0.10226E-01 4084 0.353E-01 0.285E-01
RMM: 3 -0.107559544395E+04 -0.10987E-02 -0.21984E-02 4152 0.129E-01 0.163E-01
RMM: 4 -0.107559590920E+04 -0.46525E-03 -0.66390E-03 3838 0.585E-02 0.934E-02
RMM: 5 -0.107559577785E+04 0.13135E-03 -0.25245E-03 3036 0.276E-02 0.494E-02
RMM: 6 -0.107559590728E+04 -0.12943E-03 -0.18062E-03 2548 0.184E-02 0.243E-02
RMM: 7 -0.107559603144E+04 -0.12415E-03 -0.15100E-03 2043 0.128E-02 0.128E-02
RMM: 8 -0.107559616086E+04 -0.12942E-03 -0.13698E-03 1961 0.115E-02 0.708E-03
RMM: 9 -0.107559629079E+04 -0.12993E-03 -0.13414E-03 1927 0.128E-02 0.319E-03
RMM: 10 -0.107559641797E+04 -0.12718E-03 -0.13456E-03 2084 0.153E-02 0.206E-03
RMM: 11 -0.107559653870E+04 -0.12073E-03 -0.12417E-03 1838 0.113E-02 0.184E-03
RMM: 12 -0.107559665286E+04 -0.11416E-03 -0.12020E-03 1922 0.129E-02 0.184E-03
RMM: 13 -0.107559676274E+04 -0.10989E-03 -0.11563E-03 1762 0.128E-02 0.180E-03
RMM: 14 -0.107559686855E+04 -0.10580E-03 -0.11249E-03 1632 0.142E-02 0.214E-03
RMM: 15 -0.107559697047E+04 -0.10192E-03 -0.10859E-03 1551 0.144E-02 0.290E-03
RMM: 16 -0.107559706851E+04 -0.98041E-04 -0.10547E-03 1611 0.158E-02 0.260E-03
RMM: 17 -0.107559716453E+04 -0.96025E-04 -0.10376E-03 1722 0.165E-02 0.184E-03
RMM: 18 -0.107559725899E+04 -0.94457E-04 -0.10218E-03 1818 0.169E-02 0.156E-03
RMM: 19 -0.107559735003E+04 -0.91045E-04 -0.98104E-04 1577 0.153E-02
434 T= 668. E= -.10763305E+04 F= -.10755974E+04 E0= -.10755612E+04 EK= 0.13387E+02 SP= -.14E+02 SK= 0.14E-03
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107570203252E+04 -0.10477E+00 -0.15146E+00 3401 0.122E+00 0.414E-01
RMM: 2 -0.107570801685E+04 -0.59843E-02 -0.90847E-02 4051 0.320E-01 0.295E-01
RMM: 3 -0.107570890365E+04 -0.88679E-03 -0.19816E-02 3935 0.119E-01 0.148E-01
RMM: 4 -0.107570953213E+04 -0.62848E-03 -0.66095E-03 3795 0.562E-02 0.103E-01
RMM: 5 -0.107570923441E+04 0.29772E-03 -0.20970E-03 2856 0.257E-02 0.563E-02
RMM: 6 -0.107570935809E+04 -0.12368E-03 -0.17612E-03 2681 0.183E-02 0.194E-02
RMM: 7 -0.107570946509E+04 -0.10700E-03 -0.12645E-03 2032 0.126E-02 0.123E-02
RMM: 8 -0.107570957699E+04 -0.11190E-03 -0.12272E-03 2010 0.129E-02 0.808E-03
RMM: 9 -0.107570968833E+04 -0.11134E-03 -0.11555E-03 1880 0.112E-02 0.623E-03
RMM: 10 -0.107570979832E+04 -0.10999E-03 -0.11612E-03 1972 0.121E-02 0.279E-03
RMM: 11 -0.107570990054E+04 -0.10222E-03 -0.10678E-03 1805 0.109E-02 0.186E-03
RMM: 12 -0.107571000218E+04 -0.10163E-03 -0.10781E-03 1912 0.128E-02 0.185E-03
RMM: 13 -0.107571009754E+04 -0.95359E-04 -0.10060E-03 1643 0.123E-02 0.170E-03
RMM: 14 -0.107571019279E+04 -0.95250E-04 -0.10328E-03 1645 0.156E-02 0.192E-03
RMM: 15 -0.107571028516E+04 -0.92377E-04 -0.10051E-03 1600 0.159E-02 0.271E-03
RMM: 16 -0.107571037363E+04 -0.88469E-04 -0.95842E-04 1560 0.153E-02
435 T= 674. E= -.10763348E+04 F= -.10757104E+04 E0= -.10756722E+04 EK= 0.13513E+02 SP= -.14E+02 SK= 0.93E-03
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107597959225E+04 -0.26931E+00 -0.86029E-01 3423 0.972E-01 0.235E-01
RMM: 2 -0.107598427374E+04 -0.46815E-02 -0.57791E-02 4073 0.262E-01 0.177E-01
RMM: 3 -0.107598528760E+04 -0.10139E-02 -0.12268E-02 3932 0.942E-02 0.136E-01
RMM: 4 -0.107598559398E+04 -0.30639E-03 -0.43435E-03 3586 0.422E-02 0.917E-02
RMM: 5 -0.107598558577E+04 0.82148E-05 -0.21618E-03 3031 0.245E-02 0.249E-02
RMM: 6 -0.107598571994E+04 -0.13417E-03 -0.15041E-03 2127 0.143E-02 0.152E-02
RMM: 7 -0.107598584012E+04 -0.12018E-03 -0.13162E-03 1923 0.101E-02 0.961E-03
RMM: 8 -0.107598595639E+04 -0.11627E-03 -0.12259E-03 2004 0.112E-02 0.346E-03
RMM: 9 -0.107598607110E+04 -0.11471E-03 -0.11890E-03 1858 0.107E-02 0.252E-03
RMM: 10 -0.107598617596E+04 -0.10486E-03 -0.11032E-03 1892 0.117E-02 0.192E-03
RMM: 11 -0.107598627873E+04 -0.10277E-03 -0.10886E-03 1949 0.129E-02 0.121E-03
RMM: 12 -0.107598637255E+04 -0.93821E-04 -0.10056E-03 1913 0.137E-02 0.881E-04
RMM: 13 -0.107598646505E+04 -0.92501E-04 -0.98969E-04 1687 0.144E-02
436 T= 688. E= -.10763644E+04 F= -.10759865E+04 E0= -.10759473E+04 EK= 0.13791E+02 SP= -.14E+02 SK= 0.19E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107607492923E+04 -0.88557E-01 -0.11439E+00 3337 0.106E+00 0.333E-01
RMM: 2 -0.107608032228E+04 -0.53930E-02 -0.74312E-02 4096 0.287E-01 0.250E-01
RMM: 3 -0.107608087877E+04 -0.55649E-03 -0.15298E-02 3928 0.101E-01 0.143E-01
RMM: 4 -0.107608120013E+04 -0.32136E-03 -0.57096E-03 3484 0.473E-02 0.598E-02
RMM: 5 -0.107608136888E+04 -0.16875E-03 -0.27174E-03 2857 0.235E-02 0.470E-02
RMM: 6 -0.107608150375E+04 -0.13487E-03 -0.19546E-03 2299 0.158E-02 0.215E-02
RMM: 7 -0.107608168367E+04 -0.17992E-03 -0.18602E-03 2175 0.145E-02 0.104E-02
RMM: 8 -0.107608184089E+04 -0.15722E-03 -0.16553E-03 1919 0.104E-02 0.677E-03
RMM: 9 -0.107608199469E+04 -0.15380E-03 -0.15836E-03 1817 0.113E-02 0.488E-03
RMM: 10 -0.107608214534E+04 -0.15065E-03 -0.15819E-03 2140 0.153E-02 0.255E-03
RMM: 11 -0.107608228902E+04 -0.14368E-03 -0.14945E-03 1876 0.126E-02 0.180E-03
RMM: 12 -0.107608242553E+04 -0.13651E-03 -0.14220E-03 1866 0.129E-02 0.234E-03
RMM: 13 -0.107608255559E+04 -0.13006E-03 -0.13636E-03 1573 0.133E-02 0.296E-03
RMM: 14 -0.107608268185E+04 -0.12626E-03 -0.13418E-03 1592 0.157E-02 0.356E-03
RMM: 15 -0.107608280454E+04 -0.12269E-03 -0.13040E-03 1571 0.160E-02 0.409E-03
RMM: 16 -0.107608292207E+04 -0.11753E-03 -0.12505E-03 1553 0.156E-02 0.465E-03
RMM: 17 -0.107608303593E+04 -0.11386E-03 -0.12120E-03 1556 0.156E-02 0.518E-03
RMM: 18 -0.107608314361E+04 -0.10769E-03 -0.11497E-03 1482 0.154E-02 0.575E-03
RMM: 19 -0.107608324911E+04 -0.10550E-03 -0.11348E-03 1561 0.165E-02 0.623E-03
RMM: 20 -0.107608335080E+04 -0.10168E-03 -0.10917E-03 1523 0.157E-02 0.669E-03
RMM: 21 -0.107608344679E+04 -0.95989E-04 -0.10315E-03 1491 0.151E-02 0.714E-03
RMM: 22 -0.107608353885E+04 -0.92062E-04 -0.99401E-04 1465 0.153E-02
437 T= 696. E= -.10763554E+04 F= -.10760835E+04 E0= -.10760462E+04 EK= 0.13936E+02 SP= -.14E+02 SK= 0.25E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107609585979E+04 -0.12413E-01 -0.13527E+00 3327 0.116E+00 0.353E-01
RMM: 2 -0.107610176058E+04 -0.59008E-02 -0.87650E-02 4119 0.317E-01 0.268E-01
RMM: 3 -0.107610241385E+04 -0.65327E-03 -0.18282E-02 4056 0.111E-01 0.171E-01
RMM: 4 -0.107610268851E+04 -0.27466E-03 -0.54438E-03 3649 0.524E-02 0.916E-02
RMM: 5 -0.107610250825E+04 0.18027E-03 -0.18273E-03 2990 0.264E-02 0.541E-02
RMM: 6 -0.107610251846E+04 -0.10216E-04 -0.85502E-04 2399 0.161E-02
438 T= 699. E= -.10763447E+04 F= -.10761025E+04 E0= -.10760680E+04 EK= 0.14009E+02 SP= -.14E+02 SK= 0.28E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107618362635E+04 -0.81118E-01 -0.11065E+00 3452 0.107E+00 0.293E-01
RMM: 2 -0.107618923208E+04 -0.56057E-02 -0.72921E-02 4079 0.289E-01 0.219E-01
RMM: 3 -0.107619040439E+04 -0.11723E-02 -0.16526E-02 4000 0.110E-01 0.171E-01
RMM: 4 -0.107619051496E+04 -0.11057E-03 -0.51026E-03 3655 0.491E-02 0.106E-01
RMM: 5 -0.107619056851E+04 -0.53548E-04 -0.23823E-03 3063 0.265E-02 0.406E-02
RMM: 6 -0.107619070547E+04 -0.13697E-03 -0.15974E-03 2422 0.158E-02 0.259E-02
RMM: 7 -0.107619080918E+04 -0.10371E-03 -0.12976E-03 1976 0.111E-02 0.140E-02
RMM: 8 -0.107619092934E+04 -0.12016E-03 -0.12671E-03 2092 0.131E-02 0.482E-03
RMM: 9 -0.107619105035E+04 -0.12101E-03 -0.12468E-03 1914 0.120E-02 0.370E-03
RMM: 10 -0.107619116057E+04 -0.11022E-03 -0.11270E-03 1815 0.102E-02 0.246E-03
RMM: 11 -0.107619126908E+04 -0.10851E-03 -0.11232E-03 1957 0.134E-02 0.105E-03
RMM: 12 -0.107619137374E+04 -0.10466E-03 -0.11211E-03 1884 0.145E-02 0.131E-03
RMM: 13 -0.107619147181E+04 -0.98063E-04 -0.10442E-03 1621 0.129E-02 0.183E-03
RMM: 14 -0.107619156868E+04 -0.96877E-04 -0.10550E-03 1649 0.158E-02 0.267E-03
RMM: 15 -0.107619166200E+04 -0.93315E-04 -0.10222E-03 1570 0.158E-02 0.329E-03
RMM: 16 -0.107619175285E+04 -0.90854E-04 -0.98182E-04 1529 0.158E-02
439 T= 705. E= -.10763638E+04 F= -.10761918E+04 E0= -.10761590E+04 EK= 0.14125E+02 SP= -.14E+02 SK= 0.29E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107612873848E+04 0.62924E-01 -0.11634E+00 3461 0.106E+00 0.332E-01
RMM: 2 -0.107613459293E+04 -0.58545E-02 -0.76967E-02 4018 0.284E-01 0.246E-01
RMM: 3 -0.107613560611E+04 -0.10132E-02 -0.16283E-02 3823 0.107E-01 0.171E-01
RMM: 4 -0.107613574592E+04 -0.13981E-03 -0.61691E-03 3576 0.517E-02 0.962E-02
RMM: 5 -0.107613574562E+04 0.30408E-06 -0.23644E-03 3018 0.248E-02 0.437E-02
RMM: 6 -0.107613590451E+04 -0.15889E-03 -0.17892E-03 2349 0.153E-02 0.255E-02
RMM: 7 -0.107613602429E+04 -0.11978E-03 -0.15070E-03 1949 0.117E-02 0.955E-03
RMM: 8 -0.107613616353E+04 -0.13923E-03 -0.14590E-03 1993 0.126E-02 0.476E-03
RMM: 9 -0.107613630158E+04 -0.13805E-03 -0.14285E-03 1914 0.120E-02 0.269E-03
RMM: 10 -0.107613643233E+04 -0.13076E-03 -0.13491E-03 1804 0.106E-02 0.221E-03
RMM: 11 -0.107613655701E+04 -0.12467E-03 -0.12891E-03 1752 0.110E-02 0.144E-03
RMM: 12 -0.107613667713E+04 -0.12013E-03 -0.12596E-03 1765 0.128E-02 0.904E-04
RMM: 13 -0.107613679424E+04 -0.11710E-03 -0.12449E-03 1691 0.142E-02 0.989E-04
RMM: 14 -0.107613690561E+04 -0.11137E-03 -0.11887E-03 1545 0.138E-02 0.129E-03
RMM: 15 -0.107613701300E+04 -0.10739E-03 -0.11401E-03 1469 0.140E-02 0.219E-03
RMM: 16 -0.107613711556E+04 -0.10256E-03 -0.10922E-03 1464 0.154E-02 0.263E-03
RMM: 17 -0.107613721898E+04 -0.10342E-03 -0.11230E-03 1642 0.179E-02 0.313E-03
RMM: 18 -0.107613731697E+04 -0.97989E-04 -0.10474E-03 1490 0.150E-02 0.368E-03
RMM: 19 -0.107613740990E+04 -0.92932E-04 -0.10001E-03 1481 0.155E-02 0.423E-03
RMM: 20 -0.107613750092E+04 -0.91024E-04 -0.98721E-04 1529 0.170E-02
440 T= 704. E= -.10763728E+04 F= -.10761375E+04 E0= -.10761050E+04 EK= 0.14106E+02 SP= -.14E+02 SK= 0.28E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107583509113E+04 0.30232E+00 -0.15077E+00 3335 0.120E+00 0.384E-01
RMM: 2 -0.107584179251E+04 -0.67014E-02 -0.99702E-02 4065 0.338E-01 0.285E-01
RMM: 3 -0.107584236122E+04 -0.56872E-03 -0.18388E-02 3956 0.120E-01 0.156E-01
RMM: 4 -0.107584272190E+04 -0.36068E-03 -0.55701E-03 3633 0.559E-02 0.792E-02
RMM: 5 -0.107584260489E+04 0.11702E-03 -0.16935E-03 3017 0.259E-02 0.496E-02
RMM: 6 -0.107584265069E+04 -0.45799E-04 -0.99986E-04 2555 0.172E-02
441 T= 693. E= -.10763520E+04 F= -.10758427E+04 E0= -.10758101E+04 EK= 0.13875E+02 SP= -.14E+02 SK= 0.31E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107558184580E+04 0.26076E+00 -0.17208E+00 3348 0.130E+00 0.426E-01
RMM: 2 -0.107558854501E+04 -0.66992E-02 -0.10734E-01 4095 0.361E-01 0.311E-01
RMM: 3 -0.107558911468E+04 -0.56968E-03 -0.22299E-02 4024 0.135E-01 0.159E-01
RMM: 4 -0.107558963884E+04 -0.52415E-03 -0.69600E-03 3825 0.618E-02 0.945E-02
RMM: 5 -0.107558949626E+04 0.14257E-03 -0.22103E-03 2971 0.274E-02 0.601E-02
RMM: 6 -0.107558961072E+04 -0.11445E-03 -0.17511E-03 2793 0.206E-02 0.196E-02
RMM: 7 -0.107558971389E+04 -0.10317E-03 -0.12681E-03 2077 0.137E-02 0.142E-02
RMM: 8 -0.107558981659E+04 -0.10271E-03 -0.11481E-03 2006 0.128E-02 0.986E-03
RMM: 9 -0.107558992847E+04 -0.11188E-03 -0.11368E-03 1907 0.106E-02 0.598E-03
RMM: 10 -0.107559002919E+04 -0.10071E-03 -0.10487E-03 1861 0.104E-02 0.215E-03
RMM: 11 -0.107559013028E+04 -0.10110E-03 -0.10493E-03 1837 0.107E-02 0.188E-03
RMM: 12 -0.107559022303E+04 -0.92743E-04 -0.97990E-04 1806 0.114E-02
442 T= 683. E= -.10763336E+04 F= -.10755902E+04 E0= -.10755580E+04 EK= 0.13689E+02 SP= -.14E+02 SK= 0.42E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107558620773E+04 0.39226E-02 -0.16659E+00 3356 0.126E+00 0.459E-01
RMM: 2 -0.107559141613E+04 -0.52084E-02 -0.97218E-02 4057 0.329E-01 0.324E-01
RMM: 3 -0.107559201061E+04 -0.59448E-03 -0.24307E-02 3915 0.129E-01 0.157E-01
RMM: 4 -0.107559262722E+04 -0.61661E-03 -0.84842E-03 3827 0.610E-02 0.125E-01
RMM: 5 -0.107559235190E+04 0.27531E-03 -0.28142E-03 3023 0.281E-02 0.752E-02
RMM: 6 -0.107559257811E+04 -0.22621E-03 -0.26478E-03 2896 0.219E-02 0.266E-02
RMM: 7 -0.107559273612E+04 -0.15801E-03 -0.19222E-03 2010 0.136E-02 0.154E-02
RMM: 8 -0.107559291582E+04 -0.17970E-03 -0.19087E-03 1929 0.114E-02 0.142E-02
RMM: 9 -0.107559308786E+04 -0.17204E-03 -0.17505E-03 1786 0.889E-03 0.742E-03
RMM: 10 -0.107559326161E+04 -0.17375E-03 -0.17828E-03 1830 0.107E-02 0.343E-03
RMM: 11 -0.107559342740E+04 -0.16579E-03 -0.17072E-03 1812 0.112E-02 0.233E-03
RMM: 12 -0.107559359373E+04 -0.16634E-03 -0.17067E-03 1777 0.108E-02 0.165E-03
RMM: 13 -0.107559375028E+04 -0.15655E-03 -0.16021E-03 1637 0.107E-02 0.156E-03
RMM: 14 -0.107559390780E+04 -0.15752E-03 -0.16316E-03 1571 0.133E-02 0.205E-03
RMM: 15 -0.107559405883E+04 -0.15103E-03 -0.15684E-03 1507 0.145E-02 0.350E-03
RMM: 16 -0.107559421069E+04 -0.15186E-03 -0.15862E-03 1528 0.155E-02 0.378E-03
RMM: 17 -0.107559435732E+04 -0.14663E-03 -0.15382E-03 1555 0.162E-02 0.487E-03
RMM: 18 -0.107559450120E+04 -0.14388E-03 -0.15065E-03 1538 0.151E-02 0.492E-03
RMM: 19 -0.107559463725E+04 -0.13605E-03 -0.14183E-03 1451 0.146E-02 0.522E-03
RMM: 20 -0.107559477695E+04 -0.13970E-03 -0.14778E-03 1617 0.178E-02 0.613E-03
RMM: 21 -0.107559490789E+04 -0.13094E-03 -0.13736E-03 1452 0.148E-02 0.683E-03
RMM: 22 -0.107559503796E+04 -0.13007E-03 -0.13714E-03 1524 0.152E-02 0.746E-03
RMM: 23 -0.107559516260E+04 -0.12463E-03 -0.13095E-03 1441 0.150E-02 0.830E-03
RMM: 24 -0.107559528555E+04 -0.12296E-03 -0.13095E-03 1539 0.167E-02 0.893E-03
RMM: 25 -0.107559540616E+04 -0.12061E-03 -0.12873E-03 1522 0.167E-02 0.958E-03
RMM: 26 -0.107559552301E+04 -0.11685E-03 -0.12423E-03 1487 0.155E-02 0.101E-02
RMM: 27 -0.107559563493E+04 -0.11192E-03 -0.11879E-03 1479 0.156E-02 0.108E-02
RMM: 28 -0.107559574760E+04 -0.11267E-03 -0.12012E-03 1514 0.169E-02 0.115E-02
RMM: 29 -0.107559585603E+04 -0.10843E-03 -0.11627E-03 1515 0.164E-02 0.121E-02
RMM: 30 -0.107559596235E+04 -0.10632E-03 -0.11360E-03 1474 0.157E-02 0.127E-02
RMM: 31 -0.107559606337E+04 -0.10102E-03 -0.10852E-03 1473 0.165E-02 0.132E-02
RMM: 32 -0.107559616642E+04 -0.10306E-03 -0.11115E-03 1525 0.172E-02 0.138E-02
RMM: 33 -0.107559626466E+04 -0.98233E-04 -0.10536E-03 1454 0.157E-02 0.143E-02
RMM: 34 -0.107559636048E+04 -0.95819E-04 -0.10292E-03 1429 0.158E-02 0.149E-02
RMM: 35 -0.107559645405E+04 -0.93570E-04 -0.10172E-03 1501 0.170E-02 0.155E-02
RMM: 36 -0.107559654628E+04 -0.92236E-04 -0.10038E-03 1536 0.166E-02 0.159E-02
RMM: 37 -0.107559663529E+04 -0.89005E-04 -0.96118E-04 1448 0.153E-02
443 T= 686. E= -.10763480E+04 F= -.10755966E+04 E0= -.10755619E+04 EK= 0.13738E+02 SP= -.14E+02 SK= 0.57E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107565644350E+04 -0.59897E-01 -0.13260E+00 3303 0.118E+00 0.376E-01
RMM: 2 -0.107566274152E+04 -0.62980E-02 -0.88338E-02 4115 0.322E-01 0.282E-01
RMM: 3 -0.107566394582E+04 -0.12043E-02 -0.20154E-02 4203 0.122E-01 0.220E-01
RMM: 4 -0.107566368129E+04 0.26454E-03 -0.55501E-03 3669 0.553E-02 0.114E-01
RMM: 5 -0.107566372913E+04 -0.47847E-04 -0.22367E-03 3153 0.295E-02 0.502E-02
RMM: 6 -0.107566376138E+04 -0.32251E-04 -0.12180E-03 2438 0.173E-02 0.321E-02
RMM: 7 -0.107566382276E+04 -0.61375E-04 -0.95791E-04 2025 0.126E-02
444 T= 691. E= -.10763692E+04 F= -.10756638E+04 E0= -.10756268E+04 EK= 0.13850E+02 SP= -.15E+02 SK= 0.71E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107554434739E+04 0.11941E+00 -0.14208E+00 3307 0.124E+00 0.393E-01
RMM: 2 -0.107555098933E+04 -0.66419E-02 -0.95971E-02 4166 0.345E-01 0.276E-01
RMM: 3 -0.107555264837E+04 -0.16590E-02 -0.23637E-02 4359 0.130E-01 0.212E-01
RMM: 4 -0.107555244621E+04 0.20215E-03 -0.64564E-03 3782 0.563E-02 0.115E-01
RMM: 5 -0.107555264250E+04 -0.19629E-03 -0.38318E-03 3141 0.314E-02 0.478E-02
RMM: 6 -0.107555279915E+04 -0.15665E-03 -0.25803E-03 2671 0.185E-02 0.293E-02
RMM: 7 -0.107555299473E+04 -0.19558E-03 -0.23028E-03 2036 0.129E-02 0.137E-02
RMM: 8 -0.107555320817E+04 -0.21344E-03 -0.22086E-03 2161 0.138E-02 0.589E-03
RMM: 9 -0.107555341971E+04 -0.21155E-03 -0.21302E-03 1826 0.947E-03 0.447E-03
RMM: 10 -0.107555361648E+04 -0.19677E-03 -0.19944E-03 1877 0.115E-02 0.232E-03
RMM: 11 -0.107555381906E+04 -0.20258E-03 -0.20979E-03 2201 0.165E-02 0.213E-03
RMM: 12 -0.107555401226E+04 -0.19320E-03 -0.19811E-03 1857 0.128E-02 0.233E-03
RMM: 13 -0.107555420292E+04 -0.19066E-03 -0.19471E-03 1702 0.123E-02 0.337E-03
RMM: 14 -0.107555438835E+04 -0.18544E-03 -0.19066E-03 1688 0.141E-02 0.486E-03
RMM: 15 -0.107555457089E+04 -0.18254E-03 -0.18715E-03 1461 0.134E-02 0.602E-03
RMM: 16 -0.107555474976E+04 -0.17886E-03 -0.18617E-03 1582 0.170E-02 0.715E-03
RMM: 17 -0.107555493137E+04 -0.18161E-03 -0.18924E-03 1645 0.172E-02 0.813E-03
RMM: 18 -0.107555510444E+04 -0.17307E-03 -0.17827E-03 1455 0.137E-02 0.919E-03
RMM: 19 -0.107555527658E+04 -0.17214E-03 -0.17785E-03 1483 0.151E-02 0.102E-02
RMM: 20 -0.107555544246E+04 -0.16588E-03 -0.17211E-03 1477 0.158E-02 0.112E-02
RMM: 21 -0.107555561055E+04 -0.16809E-03 -0.17603E-03 1591 0.175E-02 0.122E-02
RMM: 22 -0.107555577302E+04 -0.16247E-03 -0.16841E-03 1498 0.151E-02 0.132E-02
RMM: 23 -0.107555593210E+04 -0.15908E-03 -0.16527E-03 1480 0.154E-02 0.141E-02
RMM: 24 -0.107555608785E+04 -0.15575E-03 -0.16236E-03 1522 0.161E-02 0.150E-02
RMM: 25 -0.107555624316E+04 -0.15531E-03 -0.16276E-03 1552 0.166E-02 0.160E-02
RMM: 26 -0.107555639291E+04 -0.14975E-03 -0.15593E-03 1454 0.151E-02 0.168E-02
RMM: 27 -0.107555654030E+04 -0.14739E-03 -0.15458E-03 1517 0.162E-02 0.177E-02
RMM: 28 -0.107555668525E+04 -0.14495E-03 -0.15222E-03 1521 0.165E-02 0.185E-02
RMM: 29 -0.107555682687E+04 -0.14162E-03 -0.14877E-03 1518 0.159E-02 0.193E-02
RMM: 30 -0.107555696471E+04 -0.13785E-03 -0.14473E-03 1492 0.156E-02 0.200E-02
RMM: 31 -0.107555710046E+04 -0.13575E-03 -0.14308E-03 1530 0.164E-02 0.208E-02
RMM: 32 -0.107555723287E+04 -0.13241E-03 -0.13938E-03 1495 0.157E-02 0.215E-02
RMM: 33 -0.107555736156E+04 -0.12868E-03 -0.13555E-03 1479 0.154E-02 0.222E-02
RMM: 34 -0.107555748773E+04 -0.12617E-03 -0.13314E-03 1500 0.162E-02 0.230E-02
RMM: 35 -0.107555761170E+04 -0.12398E-03 -0.13111E-03 1518 0.163E-02 0.237E-02
RMM: 36 -0.107555773357E+04 -0.12187E-03 -0.12837E-03 1500 0.159E-02 0.245E-02
RMM: 37 -0.107555785255E+04 -0.11898E-03 -0.12284E-03 1494 0.153E-02 0.256E-02
RMM: 38 -0.107555797009E+04 -0.11753E-03 -0.12347E-03 1646 0.170E-02 0.265E-02
RMM: 39 -0.107555808354E+04 -0.11346E-03 -0.12192E-03 1560 0.162E-02 0.271E-02
RMM: 40 -0.107555819138E+04 -0.10784E-03 -0.11485E-03 1452 0.144E-02 0.275E-02
RMM: 41 -0.107555829750E+04 -0.10612E-03 -0.11333E-03 1463 0.154E-02 0.280E-02
RMM: 42 -0.107555840196E+04 -0.10446E-03 -0.11256E-03 1478 0.162E-02 0.285E-02
RMM: 43 -0.107555850331E+04 -0.10135E-03 -0.10883E-03 1460 0.151E-02 0.290E-02
RMM: 44 -0.107555860106E+04 -0.97749E-04 -0.10450E-03 1413 0.149E-02 0.296E-02
RMM: 45 -0.107555869732E+04 -0.96254E-04 -0.10435E-03 1492 0.163E-02 0.300E-02
RMM: 46 -0.107555879108E+04 -0.93761E-04 -0.10191E-03 1445 0.157E-02 0.305E-02
RMM: 47 -0.107555888161E+04 -0.90529E-04 -0.97447E-04 1411 0.153E-02
445 T= 691. E= -.10763501E+04 F= -.10755589E+04 E0= -.10755191E+04 EK= 0.13836E+02 SP= -.15E+02 SK= 0.83E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107556910509E+04 -0.10314E-01 -0.18258E+00 3347 0.137E+00 0.435E-01
RMM: 2 -0.107557589976E+04 -0.67947E-02 -0.11516E-01 4166 0.380E-01 0.307E-01
RMM: 3 -0.107557717752E+04 -0.12778E-02 -0.25137E-02 4371 0.140E-01 0.213E-01
RMM: 4 -0.107557718611E+04 -0.85931E-05 -0.82328E-03 3853 0.636E-02 0.124E-01
RMM: 5 -0.107557711552E+04 0.70599E-04 -0.33793E-03 3218 0.325E-02 0.572E-02
RMM: 6 -0.107557727368E+04 -0.15816E-03 -0.22008E-03 2704 0.183E-02 0.335E-02
RMM: 7 -0.107557743783E+04 -0.16416E-03 -0.19231E-03 2167 0.135E-02 0.156E-02
RMM: 8 -0.107557759467E+04 -0.15684E-03 -0.16595E-03 2052 0.115E-02 0.742E-03
RMM: 9 -0.107557775237E+04 -0.15770E-03 -0.16005E-03 1868 0.109E-02 0.445E-03
RMM: 10 -0.107557790043E+04 -0.14806E-03 -0.15308E-03 1993 0.142E-02 0.188E-03
RMM: 11 -0.107557804384E+04 -0.14341E-03 -0.14878E-03 1914 0.125E-02 0.171E-03
RMM: 12 -0.107557817545E+04 -0.13161E-03 -0.13790E-03 1813 0.123E-02 0.199E-03
RMM: 13 -0.107557830435E+04 -0.12889E-03 -0.13550E-03 1653 0.127E-02 0.289E-03
RMM: 14 -0.107557842371E+04 -0.11936E-03 -0.12612E-03 1576 0.137E-02 0.270E-03
RMM: 15 -0.107557854167E+04 -0.11797E-03 -0.12476E-03 1594 0.147E-02 0.230E-03
RMM: 16 -0.107557865286E+04 -0.11119E-03 -0.11934E-03 1602 0.163E-02 0.242E-03
RMM: 17 -0.107557876270E+04 -0.10984E-03 -0.11810E-03 1573 0.167E-02 0.284E-03
RMM: 18 -0.107557886688E+04 -0.10417E-03 -0.11205E-03 1538 0.161E-02 0.340E-03
RMM: 19 -0.107557896899E+04 -0.10211E-03 -0.10956E-03 1529 0.157E-02 0.394E-03
RMM: 20 -0.107557906629E+04 -0.97301E-04 -0.10500E-03 1517 0.158E-02 0.445E-03
RMM: 21 -0.107557916117E+04 -0.94885E-04 -0.10311E-03 1511 0.162E-02 0.497E-03
RMM: 22 -0.107557925227E+04 -0.91099E-04 -0.99724E-04 1544 0.163E-02
446 T= 697. E= -.10763297E+04 F= -.10755793E+04 E0= -.10755388E+04 EK= 0.13955E+02 SP= -.15E+02 SK= 0.94E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107596039010E+04 -0.38123E+00 -0.13027E+00 3366 0.116E+00 0.390E-01
RMM: 2 -0.107596581934E+04 -0.54292E-02 -0.89262E-02 4148 0.323E-01 0.277E-01
RMM: 3 -0.107596686186E+04 -0.10425E-02 -0.19606E-02 4241 0.120E-01 0.175E-01
RMM: 4 -0.107596733317E+04 -0.47131E-03 -0.68813E-03 3731 0.561E-02 0.101E-01
RMM: 5 -0.107596718979E+04 0.14338E-03 -0.27171E-03 3090 0.292E-02 0.514E-02
RMM: 6 -0.107596729311E+04 -0.10332E-03 -0.17045E-03 2474 0.169E-02 0.274E-02
RMM: 7 -0.107596742885E+04 -0.13574E-03 -0.14798E-03 2145 0.128E-02 0.127E-02
RMM: 8 -0.107596754704E+04 -0.11820E-03 -0.12800E-03 2033 0.108E-02 0.718E-03
RMM: 9 -0.107596766334E+04 -0.11630E-03 -0.11965E-03 1937 0.119E-02 0.404E-03
RMM: 10 -0.107596778253E+04 -0.11919E-03 -0.12767E-03 2163 0.168E-02 0.210E-03
RMM: 11 -0.107596789256E+04 -0.11003E-03 -0.11400E-03 1845 0.107E-02 0.210E-03
RMM: 12 -0.107596799632E+04 -0.10376E-03 -0.11022E-03 1845 0.118E-02 0.276E-03
RMM: 13 -0.107596809504E+04 -0.98721E-04 -0.10395E-03 1602 0.116E-02 0.301E-03
RMM: 14 -0.107596818867E+04 -0.93621E-04 -0.10013E-03 1588 0.140E-02 0.337E-03
RMM: 15 -0.107596828115E+04 -0.92488E-04 -0.10047E-03 1550 0.150E-02 0.382E-03
RMM: 16 -0.107596836991E+04 -0.88760E-04 -0.96676E-04 1551 0.155E-02
447 T= 718. E= -.10763684E+04 F= -.10759684E+04 E0= -.10759332E+04 EK= 0.14389E+02 SP= -.15E+02 SK= 0.89E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107620238330E+04 -0.23410E+00 -0.98581E-01 3357 0.990E-01 0.296E-01
RMM: 2 -0.107620730334E+04 -0.49200E-02 -0.66125E-02 4103 0.268E-01 0.216E-01
RMM: 3 -0.107620823819E+04 -0.93485E-03 -0.14431E-02 3960 0.974E-02 0.144E-01
RMM: 4 -0.107620854391E+04 -0.30572E-03 -0.48351E-03 3432 0.454E-02 0.776E-02
RMM: 5 -0.107620855761E+04 -0.13705E-04 -0.23902E-03 3011 0.259E-02 0.392E-02
RMM: 6 -0.107620866825E+04 -0.11064E-03 -0.14860E-03 2122 0.144E-02 0.238E-02
RMM: 7 -0.107620880026E+04 -0.13201E-03 -0.14560E-03 2147 0.136E-02 0.107E-02
RMM: 8 -0.107620892452E+04 -0.12426E-03 -0.12951E-03 1921 0.103E-02 0.413E-03
RMM: 9 -0.107620904614E+04 -0.12162E-03 -0.12436E-03 1793 0.107E-02 0.292E-03
RMM: 10 -0.107620916788E+04 -0.12174E-03 -0.12919E-03 2092 0.156E-02 0.150E-03
RMM: 11 -0.107620928535E+04 -0.11746E-03 -0.12184E-03 1834 0.124E-02 0.120E-03
RMM: 12 -0.107620939999E+04 -0.11464E-03 -0.12207E-03 1973 0.149E-02 0.151E-03
RMM: 13 -0.107620951183E+04 -0.11185E-03 -0.11794E-03 1621 0.133E-02 0.194E-03
RMM: 14 -0.107620961808E+04 -0.10625E-03 -0.11130E-03 1466 0.135E-02 0.245E-03
RMM: 15 -0.107620972503E+04 -0.10695E-03 -0.11614E-03 1641 0.176E-02 0.298E-03
RMM: 16 -0.107620983151E+04 -0.10648E-03 -0.11414E-03 1604 0.165E-02 0.343E-03
RMM: 17 -0.107620993340E+04 -0.10189E-03 -0.10897E-03 1501 0.153E-02 0.388E-03
RMM: 18 -0.107621003344E+04 -0.10004E-03 -0.10713E-03 1521 0.164E-02 0.436E-03
RMM: 19 -0.107621013272E+04 -0.99284E-04 -0.10718E-03 1536 0.165E-02 0.486E-03
RMM: 20 -0.107621023086E+04 -0.98132E-04 -0.10531E-03 1529 0.157E-02 0.532E-03
RMM: 21 -0.107621032600E+04 -0.95146E-04 -0.10218E-03 1504 0.148E-02 0.577E-03
RMM: 22 -0.107621041874E+04 -0.92737E-04 -0.99429E-04 1482 0.149E-02
448 T= 733. E= -.10763813E+04 F= -.10762104E+04 E0= -.10761770E+04 EK= 0.14695E+02 SP= -.15E+02 SK= 0.65E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107608583816E+04 0.12449E+00 -0.15769E+00 3341 0.121E+00 0.415E-01
RMM: 2 -0.107609240165E+04 -0.65635E-02 -0.99513E-02 4081 0.327E-01 0.308E-01
RMM: 3 -0.107609293684E+04 -0.53519E-03 -0.20736E-02 3984 0.116E-01 0.156E-01
RMM: 4 -0.107609326902E+04 -0.33218E-03 -0.55250E-03 3519 0.520E-02 0.751E-02
RMM: 5 -0.107609334734E+04 -0.78320E-04 -0.21805E-03 2990 0.252E-02 0.596E-02
RMM: 6 -0.107609338235E+04 -0.35002E-04 -0.12967E-03 2493 0.172E-02 0.165E-02
RMM: 7 -0.107609349066E+04 -0.10831E-03 -0.11662E-03 2033 0.126E-02 0.970E-03
RMM: 8 -0.107609358036E+04 -0.89698E-04 -0.94659E-04 1877 0.104E-02
449 T= 732. E= -.10763527E+04 F= -.10760936E+04 E0= -.10760604E+04 EK= 0.14669E+02 SP= -.15E+02 SK= 0.40E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107599337003E+04 0.10012E+00 -0.15156E+00 3358 0.124E+00 0.348E-01
RMM: 2 -0.107600056112E+04 -0.71911E-02 -0.95527E-02 4086 0.338E-01 0.252E-01
RMM: 3 -0.107600183471E+04 -0.12736E-02 -0.20250E-02 4047 0.126E-01 0.159E-01
RMM: 4 -0.107600214330E+04 -0.30859E-03 -0.54850E-03 3643 0.568E-02 0.800E-02
RMM: 5 -0.107600215056E+04 -0.72632E-05 -0.25709E-03 3125 0.286E-02 0.450E-02
RMM: 6 -0.107600223515E+04 -0.84586E-04 -0.14566E-03 2229 0.166E-02 0.238E-02
RMM: 7 -0.107600236323E+04 -0.12808E-03 -0.13948E-03 2152 0.145E-02 0.127E-02
RMM: 8 -0.107600247273E+04 -0.10950E-03 -0.11563E-03 1917 0.106E-02 0.534E-03
RMM: 9 -0.107600258612E+04 -0.11339E-03 -0.11404E-03 1887 0.116E-02 0.316E-03
RMM: 10 -0.107600269158E+04 -0.10546E-03 -0.10979E-03 2095 0.155E-02 0.172E-03
RMM: 11 -0.107600279472E+04 -0.10314E-03 -0.10673E-03 1839 0.126E-02 0.175E-03
RMM: 12 -0.107600288577E+04 -0.91050E-04 -0.96419E-04 1887 0.125E-02
450 T= 730. E= -.10763468E+04 F= -.10760029E+04 E0= -.10759695E+04 EK= 0.14632E+02 SP= -.15E+02 SK= 0.22E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107604489821E+04 -0.42103E-01 -0.12961E+00 3386 0.112E+00 0.349E-01
RMM: 2 -0.107605099832E+04 -0.61001E-02 -0.79430E-02 4038 0.295E-01 0.254E-01
RMM: 3 -0.107605198057E+04 -0.98225E-03 -0.16837E-02 3815 0.111E-01 0.138E-01
RMM: 4 -0.107605251692E+04 -0.53635E-03 -0.57146E-03 3577 0.520E-02 0.823E-02
RMM: 5 -0.107605243213E+04 0.84795E-04 -0.23883E-03 2926 0.254E-02 0.481E-02
RMM: 6 -0.107605257193E+04 -0.13980E-03 -0.17318E-03 2509 0.163E-02 0.170E-02
RMM: 7 -0.107605271574E+04 -0.14381E-03 -0.15126E-03 2030 0.126E-02 0.988E-03
RMM: 8 -0.107605284859E+04 -0.13285E-03 -0.13894E-03 1920 0.114E-02 0.612E-03
RMM: 9 -0.107605298726E+04 -0.13866E-03 -0.14071E-03 1955 0.128E-02 0.357E-03
RMM: 10 -0.107605311846E+04 -0.13121E-03 -0.13413E-03 1946 0.126E-02 0.200E-03
RMM: 11 -0.107605324537E+04 -0.12690E-03 -0.12933E-03 1807 0.113E-02 0.175E-03
RMM: 12 -0.107605336740E+04 -0.12204E-03 -0.12663E-03 1932 0.128E-02 0.158E-03
RMM: 13 -0.107605348581E+04 -0.11841E-03 -0.12323E-03 1651 0.125E-02 0.124E-03
RMM: 14 -0.107605359805E+04 -0.11224E-03 -0.11990E-03 1646 0.145E-02 0.108E-03
RMM: 15 -0.107605370905E+04 -0.11100E-03 -0.11853E-03 1642 0.156E-02 0.925E-04
RMM: 16 -0.107605381678E+04 -0.10773E-03 -0.11512E-03 1665 0.159E-02 0.752E-04
RMM: 17 -0.107605392203E+04 -0.10525E-03 -0.11260E-03 1640 0.158E-02 0.646E-04
RMM: 18 -0.107605402431E+04 -0.10228E-03 -0.11029E-03 1633 0.161E-02 0.740E-04
RMM: 19 -0.107605412353E+04 -0.99226E-04 -0.10697E-03 1559 0.151E-02 0.891E-04
RMM: 20 -0.107605421851E+04 -0.94981E-04 -0.10220E-03 1516 0.150E-02 0.136E-03
RMM: 21 -0.107605431337E+04 -0.94851E-04 -0.10304E-03 1613 0.160E-02 0.211E-03
RMM: 22 -0.107605440410E+04 -0.90739E-04 -0.97808E-04 1515 0.144E-02
451 T= 733. E= -.10763710E+04 F= -.10760544E+04 E0= -.10760213E+04 EK= 0.14692E+02 SP= -.15E+02 SK= 0.86E-03
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107595725618E+04 0.97057E-01 -0.13640E+00 3315 0.116E+00 0.374E-01
RMM: 2 -0.107596336440E+04 -0.61082E-02 -0.84329E-02 4050 0.303E-01 0.276E-01
RMM: 3 -0.107596416770E+04 -0.80329E-03 -0.17934E-02 3805 0.112E-01 0.137E-01
RMM: 4 -0.107596461761E+04 -0.44991E-03 -0.53648E-03 3587 0.518E-02 0.753E-02
RMM: 5 -0.107596457472E+04 0.42885E-04 -0.19342E-03 2783 0.241E-02 0.498E-02
RMM: 6 -0.107596467037E+04 -0.95651E-04 -0.14817E-03 2616 0.178E-02 0.141E-02
RMM: 7 -0.107596477523E+04 -0.10485E-03 -0.11716E-03 1896 0.118E-02 0.105E-02
RMM: 8 -0.107596487212E+04 -0.96897E-04 -0.10438E-03 1886 0.118E-02 0.803E-03
RMM: 9 -0.107596497696E+04 -0.10484E-03 -0.11058E-03 1946 0.134E-02 0.438E-03
RMM: 10 -0.107596507351E+04 -0.96554E-04 -0.10237E-03 1917 0.123E-02 0.190E-03
RMM: 11 -0.107596516956E+04 -0.96041E-04 -0.10028E-03 1843 0.111E-02 0.160E-03
RMM: 12 -0.107596526080E+04 -0.91248E-04 -0.96814E-04 1894 0.127E-02
452 T= 730. E= -.10763748E+04 F= -.10759653E+04 E0= -.10759314E+04 EK= 0.14617E+02 SP= -.15E+02 SK= 0.16E-03
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107565476698E+04 0.31040E+00 -0.16020E+00 3316 0.125E+00 0.420E-01
RMM: 2 -0.107566132893E+04 -0.65620E-02 -0.99993E-02 4087 0.340E-01 0.303E-01
RMM: 3 -0.107566229740E+04 -0.96847E-03 -0.22549E-02 3935 0.124E-01 0.155E-01
RMM: 4 -0.107566295194E+04 -0.65454E-03 -0.75882E-03 3770 0.582E-02 0.109E-01
RMM: 5 -0.107566268254E+04 0.26940E-03 -0.26870E-03 2997 0.271E-02 0.589E-02
RMM: 6 -0.107566285747E+04 -0.17493E-03 -0.23029E-03 2808 0.200E-02 0.179E-02
RMM: 7 -0.107566300813E+04 -0.15066E-03 -0.17263E-03 1940 0.126E-02 0.108E-02
RMM: 8 -0.107566316816E+04 -0.16003E-03 -0.16640E-03 2032 0.128E-02 0.892E-03
RMM: 9 -0.107566332342E+04 -0.15526E-03 -0.15837E-03 1818 0.943E-03 0.553E-03
RMM: 10 -0.107566346942E+04 -0.14600E-03 -0.14909E-03 1783 0.929E-03 0.259E-03
RMM: 11 -0.107566361200E+04 -0.14258E-03 -0.14593E-03 1784 0.108E-02 0.193E-03
RMM: 12 -0.107566375069E+04 -0.13869E-03 -0.14392E-03 1789 0.123E-02 0.994E-04
RMM: 13 -0.107566388208E+04 -0.13140E-03 -0.13624E-03 1555 0.118E-02 0.114E-03
RMM: 14 -0.107566401109E+04 -0.12901E-03 -0.13599E-03 1556 0.141E-02 0.147E-03
RMM: 15 -0.107566413264E+04 -0.12155E-03 -0.12816E-03 1421 0.138E-02 0.230E-03
RMM: 16 -0.107566425458E+04 -0.12193E-03 -0.12962E-03 1554 0.166E-02 0.254E-03
RMM: 17 -0.107566437147E+04 -0.11689E-03 -0.12365E-03 1499 0.154E-02 0.295E-03
RMM: 18 -0.107566448773E+04 -0.11626E-03 -0.12396E-03 1526 0.156E-02 0.345E-03
RMM: 19 -0.107566459586E+04 -0.10813E-03 -0.11344E-03 1343 0.127E-02 0.394E-03
RMM: 20 -0.107566470390E+04 -0.10804E-03 -0.11511E-03 1505 0.154E-02 0.447E-03
RMM: 21 -0.107566480681E+04 -0.10291E-03 -0.10933E-03 1417 0.141E-02 0.498E-03
RMM: 22 -0.107566490784E+04 -0.10103E-03 -0.10802E-03 1461 0.146E-02 0.546E-03
RMM: 23 -0.107566500521E+04 -0.97369E-04 -0.10393E-03 1446 0.142E-02 0.598E-03
RMM: 24 -0.107566509896E+04 -0.93750E-04 -0.99837E-04 1407 0.143E-02
453 T= 715. E= -.10763637E+04 F= -.10756651E+04 E0= -.10756300E+04 EK= 0.14332E+02 SP= -.15E+02 SK= 0.96E-06
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107532739259E+04 0.33761E+00 -0.16393E+00 3318 0.128E+00 0.391E-01
RMM: 2 -0.107533393854E+04 -0.65460E-02 -0.99540E-02 4067 0.347E-01 0.294E-01
RMM: 3 -0.107533454263E+04 -0.60409E-03 -0.20275E-02 3900 0.125E-01 0.152E-01
RMM: 4 -0.107533491180E+04 -0.36917E-03 -0.54100E-03 3631 0.568E-02 0.746E-02
RMM: 5 -0.107533499818E+04 -0.86378E-04 -0.20739E-03 3061 0.267E-02 0.573E-02
RMM: 6 -0.107533504110E+04 -0.42926E-04 -0.12190E-03 2542 0.181E-02 0.174E-02
RMM: 7 -0.107533514502E+04 -0.10392E-03 -0.11217E-03 1972 0.128E-02 0.937E-03
RMM: 8 -0.107533523142E+04 -0.86395E-04 -0.90317E-04 1833 0.103E-02
454 T= 699. E= -.10763504E+04 F= -.10753352E+04 E0= -.10752992E+04 EK= 0.14013E+02 SP= -.15E+02 SK= 0.26E-05
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107514300357E+04 0.19214E+00 -0.15879E+00 3304 0.126E+00 0.434E-01
RMM: 2 -0.107514991170E+04 -0.69081E-02 -0.99084E-02 4089 0.334E-01 0.322E-01
RMM: 3 -0.107515078282E+04 -0.87112E-03 -0.22627E-02 3999 0.128E-01 0.158E-01
RMM: 4 -0.107515155401E+04 -0.77119E-03 -0.81925E-03 3710 0.612E-02 0.102E-01
RMM: 5 -0.107515134373E+04 0.21028E-03 -0.31438E-03 3087 0.285E-02 0.636E-02
RMM: 6 -0.107515154602E+04 -0.20229E-03 -0.26256E-03 2819 0.194E-02 0.164E-02
RMM: 7 -0.107515174929E+04 -0.20327E-03 -0.21475E-03 2022 0.131E-02 0.114E-02
RMM: 8 -0.107515194121E+04 -0.19193E-03 -0.20158E-03 1960 0.113E-02 0.786E-03
RMM: 9 -0.107515213419E+04 -0.19298E-03 -0.19556E-03 1912 0.107E-02 0.481E-03
RMM: 10 -0.107515232230E+04 -0.18810E-03 -0.19223E-03 1965 0.122E-02 0.200E-03
RMM: 11 -0.107515250300E+04 -0.18070E-03 -0.18338E-03 1786 0.101E-02 0.189E-03
RMM: 12 -0.107515267819E+04 -0.17519E-03 -0.18025E-03 1887 0.122E-02 0.231E-03
RMM: 13 -0.107515284867E+04 -0.17049E-03 -0.17639E-03 1722 0.129E-02 0.351E-03
RMM: 14 -0.107515301434E+04 -0.16567E-03 -0.17161E-03 1615 0.136E-02 0.320E-03
RMM: 15 -0.107515317453E+04 -0.16019E-03 -0.16706E-03 1591 0.148E-02 0.286E-03
RMM: 16 -0.107515333215E+04 -0.15762E-03 -0.16521E-03 1643 0.165E-02 0.289E-03
RMM: 17 -0.107515348759E+04 -0.15543E-03 -0.16381E-03 1677 0.167E-02 0.299E-03
RMM: 18 -0.107515363900E+04 -0.15141E-03 -0.15936E-03 1545 0.154E-02 0.325E-03
RMM: 19 -0.107515378356E+04 -0.14457E-03 -0.15324E-03 1530 0.154E-02 0.382E-03
RMM: 20 -0.107515392756E+04 -0.14399E-03 -0.15159E-03 1560 0.163E-02 0.447E-03
RMM: 21 -0.107515406812E+04 -0.14056E-03 -0.14801E-03 1524 0.156E-02 0.504E-03
RMM: 22 -0.107515420553E+04 -0.13742E-03 -0.14527E-03 1554 0.153E-02 0.565E-03
RMM: 23 -0.107515433917E+04 -0.13364E-03 -0.14174E-03 1485 0.147E-02 0.627E-03
RMM: 24 -0.107515446652E+04 -0.12735E-03 -0.13792E-03 1531 0.161E-02 0.693E-03
RMM: 25 -0.107515459443E+04 -0.12791E-03 -0.13650E-03 1595 0.170E-02 0.754E-03
RMM: 26 -0.107515471755E+04 -0.12312E-03 -0.13012E-03 1490 0.154E-02 0.820E-03
RMM: 27 -0.107515483862E+04 -0.12107E-03 -0.12879E-03 1537 0.166E-02 0.881E-03
RMM: 28 -0.107515495741E+04 -0.11879E-03 -0.12698E-03 1547 0.170E-02 0.936E-03
RMM: 29 -0.107515507311E+04 -0.11570E-03 -0.12337E-03 1530 0.163E-02 0.994E-03
RMM: 30 -0.107515518648E+04 -0.11338E-03 -0.12125E-03 1508 0.160E-02 0.105E-02
RMM: 31 -0.107515529644E+04 -0.10995E-03 -0.11766E-03 1492 0.160E-02 0.111E-02
RMM: 32 -0.107515540429E+04 -0.10785E-03 -0.11633E-03 1554 0.164E-02 0.116E-02
RMM: 33 -0.107515550888E+04 -0.10459E-03 -0.11157E-03 1450 0.156E-02 0.122E-02
RMM: 34 -0.107515561096E+04 -0.10208E-03 -0.10948E-03 1486 0.161E-02 0.127E-02
RMM: 35 -0.107515571194E+04 -0.10098E-03 -0.10864E-03 1532 0.165E-02 0.133E-02
RMM: 36 -0.107515581069E+04 -0.98755E-04 -0.10617E-03 1488 0.158E-02 0.138E-02
RMM: 37 -0.107515590671E+04 -0.96019E-04 -0.10385E-03 1502 0.156E-02 0.143E-02
RMM: 38 -0.107515600054E+04 -0.93827E-04 -0.10165E-03 1451 0.155E-02 0.148E-02
RMM: 39 -0.107515609216E+04 -0.91625E-04 -0.10050E-03 1476 0.161E-02 0.152E-02
RMM: 40 -0.107515618147E+04 -0.89312E-04 -0.97891E-04 1516 0.160E-02
455 T= 690. E= -.10763555E+04 F= -.10751562E+04 E0= -.10751190E+04 EK= 0.13829E+02 SP= -.15E+02 SK= 0.10E-04
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107506125745E+04 0.94835E-01 -0.12959E+00 3307 0.118E+00 0.375E-01
RMM: 2 -0.107506739472E+04 -0.61373E-02 -0.83736E-02 4099 0.316E-01 0.270E-01
RMM: 3 -0.107506860646E+04 -0.12117E-02 -0.19140E-02 4001 0.117E-01 0.149E-01
RMM: 4 -0.107506905094E+04 -0.44448E-03 -0.54673E-03 3622 0.535E-02 0.773E-02
RMM: 5 -0.107506900218E+04 0.48756E-04 -0.23892E-03 2995 0.262E-02 0.445E-02
RMM: 6 -0.107506909774E+04 -0.95555E-04 -0.15184E-03 2249 0.157E-02 0.177E-02
RMM: 7 -0.107506924001E+04 -0.14227E-03 -0.15171E-03 2084 0.141E-02 0.821E-03
RMM: 8 -0.107506936398E+04 -0.12397E-03 -0.12880E-03 1869 0.103E-02 0.519E-03
RMM: 9 -0.107506949105E+04 -0.12707E-03 -0.13024E-03 1860 0.118E-02 0.314E-03
RMM: 10 -0.107506961279E+04 -0.12174E-03 -0.12844E-03 2106 0.160E-02 0.132E-03
RMM: 11 -0.107506973480E+04 -0.12201E-03 -0.12648E-03 1880 0.130E-02 0.137E-03
RMM: 12 -0.107506984885E+04 -0.11405E-03 -0.12046E-03 1929 0.138E-02 0.176E-03
RMM: 13 -0.107506996284E+04 -0.11398E-03 -0.11966E-03 1692 0.127E-02 0.240E-03
RMM: 14 -0.107507006898E+04 -0.10614E-03 -0.11306E-03 1592 0.143E-02 0.276E-03
RMM: 15 -0.107507017686E+04 -0.10788E-03 -0.11678E-03 1617 0.165E-02 0.318E-03
RMM: 16 -0.107507028140E+04 -0.10454E-03 -0.11286E-03 1618 0.165E-02 0.356E-03
RMM: 17 -0.107507038377E+04 -0.10237E-03 -0.11004E-03 1523 0.157E-02 0.395E-03
RMM: 18 -0.107507048237E+04 -0.98607E-04 -0.10786E-03 1576 0.172E-02 0.419E-03
RMM: 19 -0.107507058057E+04 -0.98195E-04 -0.10542E-03 1546 0.157E-02 0.451E-03
RMM: 20 -0.107507067474E+04 -0.94175E-04 -0.10206E-03 1533 0.161E-02 0.491E-03
RMM: 21 -0.107507076898E+04 -0.94237E-04 -0.10178E-03 1519 0.162E-02 0.556E-03
RMM: 22 -0.107507086015E+04 -0.91165E-04 -0.99495E-04 1567 0.163E-02
456 T= 686. E= -.10763625E+04 F= -.10750709E+04 E0= -.10750315E+04 EK= 0.13742E+02 SP= -.15E+02 SK= 0.15E-03
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107499066330E+04 0.80106E-01 -0.14500E+00 3340 0.125E+00 0.368E-01
RMM: 2 -0.107499779352E+04 -0.71302E-02 -0.96698E-02 4134 0.343E-01 0.266E-01
RMM: 3 -0.107499897764E+04 -0.11841E-02 -0.20806E-02 4128 0.121E-01 0.166E-01
RMM: 4 -0.107499920210E+04 -0.22446E-03 -0.62762E-03 3483 0.558E-02 0.483E-02
RMM: 5 -0.107499948090E+04 -0.27880E-03 -0.32613E-03 3076 0.265E-02 0.354E-02
RMM: 6 -0.107499967895E+04 -0.19805E-03 -0.23187E-03 2305 0.162E-02 0.171E-02
RMM: 7 -0.107499989210E+04 -0.21315E-03 -0.22231E-03 2163 0.133E-02 0.965E-03
RMM: 8 -0.107500007658E+04 -0.18449E-03 -0.19177E-03 1912 0.103E-02 0.655E-03
RMM: 9 -0.107500026377E+04 -0.18719E-03 -0.19080E-03 1951 0.123E-02 0.491E-03
RMM: 10 -0.107500043698E+04 -0.17321E-03 -0.18049E-03 2146 0.161E-02 0.336E-03
RMM: 11 -0.107500060684E+04 -0.16985E-03 -0.17572E-03 1888 0.129E-02 0.187E-03
RMM: 12 -0.107500076344E+04 -0.15660E-03 -0.16274E-03 1951 0.136E-02 0.220E-03
RMM: 13 -0.107500091917E+04 -0.15573E-03 -0.16315E-03 1726 0.144E-02 0.285E-03
RMM: 14 -0.107500106018E+04 -0.14101E-03 -0.14784E-03 1590 0.147E-02 0.369E-03
RMM: 15 -0.107500120331E+04 -0.14313E-03 -0.15298E-03 1662 0.176E-02 0.435E-03
RMM: 16 -0.107500133377E+04 -0.13046E-03 -0.13865E-03 1540 0.157E-02 0.503E-03
RMM: 17 -0.107500146411E+04 -0.13034E-03 -0.13877E-03 1572 0.171E-02 0.567E-03
RMM: 18 -0.107500158654E+04 -0.12242E-03 -0.13162E-03 1554 0.175E-02 0.625E-03
RMM: 19 -0.107500170768E+04 -0.12115E-03 -0.13146E-03 1572 0.173E-02 0.687E-03
RMM: 20 -0.107500181766E+04 -0.10998E-03 -0.12011E-03 1484 0.162E-02 0.744E-03
RMM: 21 -0.107500192944E+04 -0.11177E-03 -0.12139E-03 1602 0.176E-02 0.797E-03
RMM: 22 -0.107500203372E+04 -0.10429E-03 -0.11329E-03 1554 0.166E-02 0.853E-03
RMM: 23 -0.107500213591E+04 -0.10219E-03 -0.10976E-03 1508 0.154E-02 0.905E-03
RMM: 24 -0.107500223314E+04 -0.97231E-04 -0.10503E-03 1537 0.155E-02 0.956E-03
RMM: 25 -0.107500232719E+04 -0.94053E-04 -0.10141E-03 1493 0.152E-02 0.101E-02
RMM: 26 -0.107500241680E+04 -0.89608E-04 -0.97433E-04 1506 0.157E-02
457 T= 684. E= -.10763533E+04 F= -.10750024E+04 E0= -.10749612E+04 EK= 0.13697E+02 SP= -.15E+02 SK= 0.52E-03
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107507086136E+04 -0.68534E-01 -0.18248E+00 3340 0.136E+00 0.444E-01
RMM: 2 -0.107507824613E+04 -0.73848E-02 -0.11515E-01 4142 0.367E-01 0.319E-01
RMM: 3 -0.107507939504E+04 -0.11489E-02 -0.23598E-02 4052 0.130E-01 0.195E-01
RMM: 4 -0.107507996361E+04 -0.56858E-03 -0.86396E-03 3824 0.635E-02 0.120E-01
RMM: 5 -0.107507967623E+04 0.28738E-03 -0.30335E-03 3158 0.304E-02 0.569E-02
RMM: 6 -0.107507987065E+04 -0.19442E-03 -0.23246E-03 2681 0.183E-02 0.298E-02
RMM: 7 -0.107508003011E+04 -0.15946E-03 -0.19385E-03 2118 0.130E-02 0.150E-02
RMM: 8 -0.107508019979E+04 -0.16968E-03 -0.17852E-03 1957 0.107E-02 0.834E-03
RMM: 9 -0.107508037013E+04 -0.17034E-03 -0.17201E-03 1986 0.113E-02 0.485E-03
RMM: 10 -0.107508053833E+04 -0.16820E-03 -0.17478E-03 1974 0.136E-02 0.254E-03
RMM: 11 -0.107508069817E+04 -0.15984E-03 -0.16329E-03 1786 0.104E-02 0.229E-03
RMM: 12 -0.107508085427E+04 -0.15610E-03 -0.16115E-03 1792 0.115E-02 0.218E-03
RMM: 13 -0.107508100406E+04 -0.14979E-03 -0.15498E-03 1591 0.121E-02 0.180E-03
RMM: 14 -0.107508115198E+04 -0.14792E-03 -0.15512E-03 1611 0.141E-02 0.155E-03
RMM: 15 -0.107508129523E+04 -0.14325E-03 -0.14983E-03 1649 0.145E-02 0.102E-03
RMM: 16 -0.107508143800E+04 -0.14277E-03 -0.14969E-03 1696 0.157E-02 0.653E-04
RMM: 17 -0.107508157426E+04 -0.13626E-03 -0.14332E-03 1520 0.150E-02 0.951E-04
RMM: 18 -0.107508170981E+04 -0.13556E-03 -0.14298E-03 1560 0.159E-02 0.117E-03
RMM: 19 -0.107508184092E+04 -0.13110E-03 -0.13888E-03 1504 0.157E-02 0.161E-03
RMM: 20 -0.107508197047E+04 -0.12956E-03 -0.13682E-03 1492 0.158E-02 0.218E-03
RMM: 21 -0.107508209507E+04 -0.12460E-03 -0.13266E-03 1502 0.156E-02 0.280E-03
RMM: 22 -0.107508221915E+04 -0.12408E-03 -0.13223E-03 1542 0.162E-02 0.334E-03
RMM: 23 -0.107508233806E+04 -0.11891E-03 -0.12678E-03 1499 0.155E-02 0.386E-03
RMM: 24 -0.107508245547E+04 -0.11742E-03 -0.12543E-03 1528 0.164E-02 0.440E-03
RMM: 25 -0.107508256965E+04 -0.11418E-03 -0.12227E-03 1520 0.165E-02 0.490E-03
RMM: 26 -0.107508268400E+04 -0.11434E-03 -0.12351E-03 1601 0.175E-02 0.539E-03
RMM: 27 -0.107508279332E+04 -0.10932E-03 -0.11681E-03 1472 0.158E-02 0.587E-03
RMM: 28 -0.107508290136E+04 -0.10805E-03 -0.11638E-03 1522 0.171E-02 0.636E-03
RMM: 29 -0.107508300630E+04 -0.10494E-03 -0.11284E-03 1489 0.164E-02 0.682E-03
RMM: 30 -0.107508311013E+04 -0.10384E-03 -0.11182E-03 1543 0.169E-02 0.728E-03
RMM: 31 -0.107508321103E+04 -0.10090E-03 -0.10886E-03 1500 0.165E-02 0.770E-03
RMM: 32 -0.107508331042E+04 -0.99388E-04 -0.10736E-03 1492 0.165E-02 0.813E-03
RMM: 33 -0.107508340764E+04 -0.97216E-04 -0.10504E-03 1474 0.164E-02 0.856E-03
RMM: 34 -0.107508350259E+04 -0.94954E-04 -0.10293E-03 1469 0.162E-02 0.897E-03
RMM: 35 -0.107508359696E+04 -0.94367E-04 -0.10236E-03 1513 0.163E-02 0.937E-03
RMM: 36 -0.107508368752E+04 -0.90557E-04 -0.97618E-04 1419 0.148E-02
458 T= 689. E= -.10763551E+04 F= -.10750837E+04 E0= -.10750425E+04 EK= 0.13800E+02 SP= -.15E+02 SK= 0.11E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107524440133E+04 -0.16080E+00 -0.12148E+00 3336 0.116E+00 0.307E-01
RMM: 2 -0.107525070734E+04 -0.63060E-02 -0.81602E-02 4125 0.322E-01 0.225E-01
RMM: 3 -0.107525181980E+04 -0.11125E-02 -0.15734E-02 4031 0.112E-01 0.165E-01
RMM: 4 -0.107525212613E+04 -0.30633E-03 -0.54099E-03 3576 0.517E-02 0.987E-02
RMM: 5 -0.107525213263E+04 -0.65004E-05 -0.29413E-03 3088 0.299E-02 0.352E-02
RMM: 6 -0.107525229944E+04 -0.16680E-03 -0.19573E-03 2324 0.162E-02 0.253E-02
RMM: 7 -0.107525245825E+04 -0.15881E-03 -0.17990E-03 2001 0.116E-02 0.142E-02
RMM: 8 -0.107525262564E+04 -0.16739E-03 -0.17117E-03 1996 0.115E-02 0.521E-03
RMM: 9 -0.107525279225E+04 -0.16661E-03 -0.16963E-03 1835 0.104E-02 0.347E-03
RMM: 10 -0.107525295292E+04 -0.16067E-03 -0.16411E-03 1899 0.119E-02 0.222E-03
RMM: 11 -0.107525311290E+04 -0.15998E-03 -0.16438E-03 1905 0.123E-02 0.163E-03
RMM: 12 -0.107525326750E+04 -0.15460E-03 -0.16066E-03 1840 0.133E-02 0.149E-03
RMM: 13 -0.107525342097E+04 -0.15347E-03 -0.15851E-03 1479 0.124E-02 0.196E-03
RMM: 14 -0.107525356948E+04 -0.14851E-03 -0.15490E-03 1483 0.146E-02 0.259E-03
RMM: 15 -0.107525371965E+04 -0.15018E-03 -0.15771E-03 1526 0.160E-02 0.310E-03
RMM: 16 -0.107525386541E+04 -0.14576E-03 -0.15247E-03 1511 0.154E-02 0.363E-03
RMM: 17 -0.107525401092E+04 -0.14551E-03 -0.15178E-03 1496 0.152E-02 0.416E-03
RMM: 18 -0.107525415197E+04 -0.14105E-03 -0.14738E-03 1456 0.153E-02 0.468E-03
RMM: 19 -0.107525429148E+04 -0.13951E-03 -0.14620E-03 1444 0.154E-02 0.514E-03
RMM: 20 -0.107525442867E+04 -0.13719E-03 -0.14430E-03 1487 0.159E-02 0.563E-03
RMM: 21 -0.107525456379E+04 -0.13512E-03 -0.14191E-03 1482 0.154E-02 0.612E-03
RMM: 22 -0.107525469594E+04 -0.13215E-03 -0.13918E-03 1451 0.154E-02 0.656E-03
RMM: 23 -0.107525482598E+04 -0.13003E-03 -0.13719E-03 1452 0.157E-02 0.702E-03
RMM: 24 -0.107525495442E+04 -0.12844E-03 -0.13602E-03 1516 0.162E-02 0.748E-03
RMM: 25 -0.107525507975E+04 -0.12533E-03 -0.13224E-03 1427 0.153E-02 0.794E-03
RMM: 26 -0.107525520274E+04 -0.12299E-03 -0.13028E-03 1453 0.159E-02 0.837E-03
RMM: 27 -0.107525532556E+04 -0.12283E-03 -0.13122E-03 1540 0.168E-02 0.880E-03
RMM: 28 -0.107525544517E+04 -0.11961E-03 -0.12674E-03 1430 0.153E-02 0.925E-03
RMM: 29 -0.107525556248E+04 -0.11731E-03 -0.12537E-03 1458 0.158E-02 0.965E-03
RMM: 30 -0.107525567824E+04 -0.11576E-03 -0.12303E-03 1468 0.157E-02 0.101E-02
RMM: 31 -0.107525579151E+04 -0.11327E-03 -0.12006E-03 1423 0.150E-02 0.105E-02
RMM: 32 -0.107525590352E+04 -0.11201E-03 -0.11950E-03 1479 0.156E-02 0.109E-02
RMM: 33 -0.107525601258E+04 -0.10906E-03 -0.11569E-03 1424 0.150E-02 0.113E-02
RMM: 34 -0.107525612090E+04 -0.10832E-03 -0.11609E-03 1462 0.157E-02 0.117E-02
RMM: 35 -0.107525622700E+04 -0.10610E-03 -0.11373E-03 1430 0.154E-02 0.121E-02
RMM: 36 -0.107525633181E+04 -0.10481E-03 -0.11352E-03 1433 0.157E-02 0.125E-02
RMM: 37 -0.107525643374E+04 -0.10193E-03 -0.11169E-03 1421 0.155E-02 0.129E-02
RMM: 38 -0.107525653234E+04 -0.98597E-04 -0.10825E-03 1431 0.156E-02 0.132E-02
RMM: 39 -0.107525663144E+04 -0.99097E-04 -0.10603E-03 1436 0.154E-02 0.136E-02
RMM: 40 -0.107525672824E+04 -0.96799E-04 -0.10370E-03 1401 0.152E-02 0.140E-02
RMM: 41 -0.107525682345E+04 -0.95214E-04 -0.10222E-03 1428 0.154E-02 0.144E-02
RMM: 42 -0.107525691721E+04 -0.93754E-04 -0.10095E-03 1422 0.156E-02 0.147E-02
RMM: 43 -0.107525701007E+04 -0.92863E-04 -0.10025E-03 1440 0.155E-02 0.151E-02
RMM: 44 -0.107525710015E+04 -0.90082E-04 -0.97039E-04 1415 0.150E-02
459 T= 698. E= -.10763766E+04 F= -.10752571E+04 E0= -.10752153E+04 EK= 0.13982E+02 SP= -.15E+02 SK= 0.15E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107526907926E+04 -0.12069E-01 -0.15192E+00 3329 0.125E+00 0.392E-01
RMM: 2 -0.107527573354E+04 -0.66543E-02 -0.94895E-02 4109 0.344E-01 0.283E-01
RMM: 3 -0.107527654135E+04 -0.80780E-03 -0.17687E-02 3979 0.118E-01 0.166E-01
RMM: 4 -0.107527714045E+04 -0.59910E-03 -0.70719E-03 3658 0.583E-02 0.106E-01
RMM: 5 -0.107527687673E+04 0.26372E-03 -0.26960E-03 3162 0.291E-02 0.534E-02
RMM: 6 -0.107527702110E+04 -0.14437E-03 -0.18344E-03 2621 0.175E-02 0.252E-02
RMM: 7 -0.107527716188E+04 -0.14078E-03 -0.15927E-03 2088 0.124E-02 0.119E-02
RMM: 8 -0.107527728882E+04 -0.12694E-03 -0.13690E-03 1952 0.104E-02 0.653E-03
RMM: 9 -0.107527742214E+04 -0.13331E-03 -0.13691E-03 1975 0.118E-02 0.405E-03
RMM: 10 -0.107527755142E+04 -0.12928E-03 -0.13635E-03 2117 0.152E-02 0.212E-03
RMM: 11 -0.107527767567E+04 -0.12425E-03 -0.12794E-03 1790 0.982E-03 0.188E-03
RMM: 12 -0.107527778969E+04 -0.11402E-03 -0.11919E-03 1768 0.117E-02 0.197E-03
RMM: 13 -0.107527790430E+04 -0.11460E-03 -0.12111E-03 1555 0.135E-02 0.246E-03
RMM: 14 -0.107527801323E+04 -0.10893E-03 -0.11746E-03 1602 0.159E-02 0.286E-03
RMM: 15 -0.107527812114E+04 -0.10791E-03 -0.11579E-03 1518 0.154E-02 0.345E-03
RMM: 16 -0.107527822358E+04 -0.10244E-03 -0.11029E-03 1541 0.158E-02 0.390E-03
RMM: 17 -0.107527832569E+04 -0.10211E-03 -0.10964E-03 1519 0.160E-02 0.436E-03
RMM: 18 -0.107527842151E+04 -0.95818E-04 -0.10349E-03 1530 0.162E-02 0.484E-03
RMM: 19 -0.107527851677E+04 -0.95264E-04 -0.10331E-03 1509 0.164E-02 0.541E-03
RMM: 20 -0.107527860949E+04 -0.92714E-04 -0.10038E-03 1578 0.166E-02 0.578E-03
RMM: 21 -0.107527869838E+04 -0.88898E-04 -0.96244E-04 1551 0.153E-02
460 T= 702. E= -.10763552E+04 F= -.10752787E+04 E0= -.10752365E+04 EK= 0.14058E+02 SP= -.15E+02 SK= 0.16E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107536896953E+04 -0.90360E-01 -0.15932E+00 3363 0.128E+00 0.396E-01
RMM: 2 -0.107537630794E+04 -0.73384E-02 -0.10652E-01 4121 0.352E-01 0.297E-01
RMM: 3 -0.107537737789E+04 -0.10700E-02 -0.22518E-02 4085 0.126E-01 0.191E-01
RMM: 4 -0.107537782949E+04 -0.45160E-03 -0.67965E-03 3674 0.594E-02 0.106E-01
RMM: 5 -0.107537765040E+04 0.17908E-03 -0.29538E-03 3242 0.314E-02 0.557E-02
RMM: 6 -0.107537774434E+04 -0.93935E-04 -0.17093E-03 2352 0.170E-02 0.291E-02
RMM: 7 -0.107537789224E+04 -0.14790E-03 -0.15975E-03 2154 0.141E-02 0.125E-02
RMM: 8 -0.107537802463E+04 -0.13238E-03 -0.14113E-03 1923 0.108E-02 0.729E-03
RMM: 9 -0.107537815627E+04 -0.13165E-03 -0.13552E-03 1864 0.126E-02 0.472E-03
RMM: 10 -0.107537829516E+04 -0.13888E-03 -0.14751E-03 2220 0.178E-02 0.202E-03
RMM: 11 -0.107537842441E+04 -0.12925E-03 -0.13320E-03 1854 0.111E-02 0.175E-03
RMM: 12 -0.107537855022E+04 -0.12581E-03 -0.13213E-03 1883 0.128E-02 0.218E-03
RMM: 13 -0.107537867219E+04 -0.12197E-03 -0.12807E-03 1595 0.128E-02 0.284E-03
RMM: 14 -0.107537879261E+04 -0.12041E-03 -0.12731E-03 1576 0.149E-02 0.311E-03
RMM: 15 -0.107537891160E+04 -0.11900E-03 -0.12689E-03 1571 0.160E-02 0.362E-03
RMM: 16 -0.107537902988E+04 -0.11828E-03 -0.12592E-03 1600 0.162E-02 0.423E-03
RMM: 17 -0.107537914212E+04 -0.11224E-03 -0.11849E-03 1465 0.148E-02 0.471E-03
RMM: 18 -0.107537925483E+04 -0.11271E-03 -0.12055E-03 1568 0.175E-02 0.496E-03
RMM: 19 -0.107537936692E+04 -0.11209E-03 -0.12075E-03 1627 0.171E-02 0.513E-03
RMM: 20 -0.107537947553E+04 -0.10861E-03 -0.11581E-03 1577 0.151E-02 0.507E-03
RMM: 21 -0.107537958009E+04 -0.10456E-03 -0.11168E-03 1529 0.155E-02 0.517E-03
RMM: 22 -0.107537968623E+04 -0.10613E-03 -0.11454E-03 1626 0.171E-02 0.553E-03
RMM: 23 -0.107537978902E+04 -0.10279E-03 -0.11017E-03 1526 0.152E-02 0.597E-03
RMM: 24 -0.107537988902E+04 -0.99998E-04 -0.10715E-03 1534 0.153E-02 0.648E-03
RMM: 25 -0.107537998874E+04 -0.99727E-04 -0.10805E-03 1571 0.164E-02 0.692E-03
RMM: 26 -0.107538008609E+04 -0.97348E-04 -0.10523E-03 1505 0.159E-02 0.743E-03
RMM: 27 -0.107538018063E+04 -0.94542E-04 -0.10239E-03 1526 0.159E-02 0.794E-03
RMM: 28 -0.107538027494E+04 -0.94307E-04 -0.10213E-03 1544 0.165E-02 0.843E-03
RMM: 29 -0.107538036704E+04 -0.92096E-04 -0.10031E-03 1523 0.165E-02 0.892E-03
RMM: 30 -0.107538045803E+04 -0.90990E-04 -0.98961E-04 1515 0.163E-02
461 T= 709. E= -.10763518E+04 F= -.10753805E+04 E0= -.10753391E+04 EK= 0.14198E+02 SP= -.15E+02 SK= 0.15E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107560452611E+04 -0.22416E+00 -0.10636E+00 3374 0.103E+00 0.322E-01
RMM: 2 -0.107560971361E+04 -0.51875E-02 -0.69498E-02 4067 0.275E-01 0.243E-01
RMM: 3 -0.107561058210E+04 -0.86850E-03 -0.15452E-02 3870 0.988E-02 0.142E-01
RMM: 4 -0.107561097285E+04 -0.39074E-03 -0.47478E-03 3488 0.465E-02 0.791E-02
RMM: 5 -0.107561093156E+04 0.41286E-04 -0.21438E-03 2842 0.244E-02 0.469E-02
RMM: 6 -0.107561101928E+04 -0.87716E-04 -0.13629E-03 2151 0.153E-02 0.192E-02
RMM: 7 -0.107561114664E+04 -0.12736E-03 -0.13670E-03 2148 0.149E-02 0.883E-03
RMM: 8 -0.107561126267E+04 -0.11603E-03 -0.12148E-03 1930 0.107E-02 0.620E-03
RMM: 9 -0.107561137772E+04 -0.11505E-03 -0.11803E-03 1802 0.111E-02 0.345E-03
RMM: 10 -0.107561149432E+04 -0.11660E-03 -0.12396E-03 2151 0.160E-02 0.157E-03
RMM: 11 -0.107561160645E+04 -0.11213E-03 -0.11738E-03 1855 0.125E-02 0.147E-03
RMM: 12 -0.107561171450E+04 -0.10804E-03 -0.11400E-03 1850 0.137E-02 0.190E-03
RMM: 13 -0.107561182301E+04 -0.10851E-03 -0.11611E-03 1642 0.153E-02 0.241E-03
RMM: 14 -0.107561192978E+04 -0.10678E-03 -0.11400E-03 1549 0.157E-02 0.300E-03
RMM: 15 -0.107561203661E+04 -0.10682E-03 -0.11503E-03 1577 0.165E-02 0.349E-03
RMM: 16 -0.107561214155E+04 -0.10494E-03 -0.11200E-03 1557 0.156E-02 0.410E-03
RMM: 17 -0.107561224545E+04 -0.10391E-03 -0.11080E-03 1536 0.152E-02 0.460E-03
RMM: 18 -0.107561234535E+04 -0.99892E-04 -0.10640E-03 1435 0.149E-02 0.512E-03
RMM: 19 -0.107561244817E+04 -0.10283E-03 -0.11168E-03 1625 0.177E-02 0.565E-03
RMM: 20 -0.107561254813E+04 -0.99959E-04 -0.10720E-03 1478 0.152E-02 0.619E-03
RMM: 21 -0.107561264638E+04 -0.98248E-04 -0.10548E-03 1498 0.152E-02 0.669E-03
RMM: 22 -0.107561274386E+04 -0.97484E-04 -0.10519E-03 1535 0.159E-02 0.718E-03
RMM: 23 -0.107561283932E+04 -0.95457E-04 -0.10296E-03 1464 0.155E-02 0.766E-03
RMM: 24 -0.107561293458E+04 -0.95264E-04 -0.10371E-03 1540 0.165E-02 0.817E-03
RMM: 25 -0.107561302766E+04 -0.93078E-04 -0.99888E-04 1478 0.155E-02
462 T= 721. E= -.10763725E+04 F= -.10756130E+04 E0= -.10755726E+04 EK= 0.14441E+02 SP= -.15E+02 SK= 0.10E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107567751496E+04 -0.64580E-01 -0.11081E+00 3349 0.105E+00 0.335E-01
RMM: 2 -0.107568320889E+04 -0.56939E-02 -0.76388E-02 4066 0.280E-01 0.257E-01
RMM: 3 -0.107568423476E+04 -0.10259E-02 -0.17305E-02 3887 0.101E-01 0.179E-01
RMM: 4 -0.107568453188E+04 -0.29712E-03 -0.60223E-03 3499 0.499E-02 0.105E-01
RMM: 5 -0.107568442855E+04 0.10333E-03 -0.26657E-03 3068 0.267E-02 0.439E-02
RMM: 6 -0.107568458958E+04 -0.16103E-03 -0.19024E-03 2211 0.153E-02 0.199E-02
RMM: 7 -0.107568474939E+04 -0.15981E-03 -0.16829E-03 2031 0.123E-02 0.103E-02
RMM: 8 -0.107568490178E+04 -0.15239E-03 -0.15951E-03 1934 0.115E-02 0.599E-03
RMM: 9 -0.107568505378E+04 -0.15200E-03 -0.15642E-03 1898 0.129E-02 0.290E-03
RMM: 10 -0.107568520684E+04 -0.15306E-03 -0.15931E-03 2057 0.145E-02 0.229E-03
RMM: 11 -0.107568534765E+04 -0.14081E-03 -0.14423E-03 1761 0.105E-02 0.186E-03
RMM: 12 -0.107568548749E+04 -0.13984E-03 -0.14546E-03 1839 0.135E-02 0.178E-03
RMM: 13 -0.107568562252E+04 -0.13504E-03 -0.14154E-03 1556 0.135E-02 0.197E-03
RMM: 14 -0.107568575472E+04 -0.13220E-03 -0.13903E-03 1516 0.146E-02 0.306E-03
RMM: 15 -0.107568588333E+04 -0.12860E-03 -0.13565E-03 1539 0.153E-02 0.246E-03
RMM: 16 -0.107568601189E+04 -0.12856E-03 -0.13544E-03 1617 0.157E-02 0.207E-03
RMM: 17 -0.107568613507E+04 -0.12318E-03 -0.12972E-03 1518 0.146E-02 0.185E-03
RMM: 18 -0.107568625629E+04 -0.12122E-03 -0.12821E-03 1521 0.157E-02 0.204E-03
RMM: 19 -0.107568637612E+04 -0.11982E-03 -0.12727E-03 1557 0.159E-02 0.231E-03
RMM: 20 -0.107568649289E+04 -0.11677E-03 -0.12351E-03 1473 0.145E-02 0.285E-03
RMM: 21 -0.107568660511E+04 -0.11222E-03 -0.11896E-03 1458 0.149E-02 0.349E-03
RMM: 22 -0.107568671841E+04 -0.11330E-03 -0.12189E-03 1533 0.168E-02 0.409E-03
RMM: 23 -0.107568682774E+04 -0.10932E-03 -0.11682E-03 1478 0.152E-02 0.466E-03
RMM: 24 -0.107568693564E+04 -0.10791E-03 -0.11554E-03 1507 0.157E-02 0.522E-03
RMM: 25 -0.107568704219E+04 -0.10655E-03 -0.11388E-03 1505 0.158E-02 0.574E-03
RMM: 26 -0.107568714594E+04 -0.10375E-03 -0.11099E-03 1497 0.154E-02 0.630E-03
RMM: 27 -0.107568724805E+04 -0.10211E-03 -0.10941E-03 1473 0.156E-02 0.686E-03
RMM: 28 -0.107568734907E+04 -0.10103E-03 -0.10846E-03 1488 0.161E-02 0.738E-03
RMM: 29 -0.107568744828E+04 -0.99210E-04 -0.10779E-03 1493 0.164E-02 0.790E-03
RMM: 30 -0.107568754638E+04 -0.98095E-04 -0.10539E-03 1492 0.156E-02 0.843E-03
RMM: 31 -0.107568764143E+04 -0.95053E-04 -0.10174E-03 1433 0.150E-02 0.894E-03
RMM: 32 -0.107568773766E+04 -0.96225E-04 -0.10390E-03 1532 0.163E-02 0.942E-03
RMM: 33 -0.107568783010E+04 -0.92446E-04 -0.99026E-04 1416 0.146E-02
463 T= 725. E= -.10763838E+04 F= -.10756878E+04 E0= -.10756476E+04 EK= 0.14528E+02 SP= -.15E+02 SK= 0.42E-03
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107546573885E+04 0.22200E+00 -0.12559E+00 3330 0.114E+00 0.340E-01
RMM: 2 -0.107547195835E+04 -0.62195E-02 -0.84143E-02 4124 0.312E-01 0.259E-01
RMM: 3 -0.107547290821E+04 -0.94985E-03 -0.17255E-02 3993 0.108E-01 0.166E-01
RMM: 4 -0.107547329179E+04 -0.38358E-03 -0.54017E-03 3484 0.515E-02 0.838E-02
RMM: 5 -0.107547319466E+04 0.97136E-04 -0.24233E-03 3127 0.273E-02 0.405E-02
RMM: 6 -0.107547330717E+04 -0.11251E-03 -0.15354E-03 2277 0.156E-02 0.204E-02
RMM: 7 -0.107547344575E+04 -0.13858E-03 -0.14285E-03 2046 0.127E-02 0.111E-02
RMM: 8 -0.107547356318E+04 -0.11744E-03 -0.12635E-03 1899 0.975E-03 0.576E-03
RMM: 9 -0.107547368138E+04 -0.11819E-03 -0.12163E-03 1770 0.113E-02 0.338E-03
RMM: 10 -0.107547380318E+04 -0.12180E-03 -0.13146E-03 2313 0.185E-02 0.159E-03
RMM: 11 -0.107547391793E+04 -0.11474E-03 -0.11931E-03 1787 0.114E-02 0.146E-03
RMM: 12 -0.107547402795E+04 -0.11003E-03 -0.11658E-03 1845 0.139E-02 0.194E-03
RMM: 13 -0.107547413494E+04 -0.10698E-03 -0.11323E-03 1521 0.144E-02 0.264E-03
RMM: 14 -0.107547424509E+04 -0.11015E-03 -0.11981E-03 1760 0.186E-02 0.303E-03
RMM: 15 -0.107547435085E+04 -0.10576E-03 -0.11203E-03 1445 0.139E-02 0.372E-03
RMM: 16 -0.107547445366E+04 -0.10281E-03 -0.11055E-03 1538 0.152E-02 0.429E-03
RMM: 17 -0.107547455511E+04 -0.10144E-03 -0.10868E-03 1471 0.150E-02 0.487E-03
RMM: 18 -0.107547465370E+04 -0.98591E-04 -0.10749E-03 1541 0.163E-02 0.545E-03
RMM: 19 -0.107547475061E+04 -0.96915E-04 -0.10501E-03 1496 0.158E-02 0.598E-03
RMM: 20 -0.107547484691E+04 -0.96291E-04 -0.10434E-03 1537 0.164E-02 0.655E-03
RMM: 21 -0.107547494096E+04 -0.94059E-04 -0.10171E-03 1510 0.158E-02 0.709E-03
RMM: 22 -0.107547503255E+04 -0.91584E-04 -0.99268E-04 1498 0.159E-02
464 T= 716. E= -.10763665E+04 F= -.10754750E+04 E0= -.10754340E+04 EK= 0.14345E+02 SP= -.15E+02 SK= 0.10E-03
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107524481197E+04 0.23013E+00 -0.15468E+00 3363 0.126E+00 0.383E-01
RMM: 2 -0.107525185218E+04 -0.70402E-02 -0.10157E-01 4137 0.350E-01 0.293E-01
RMM: 3 -0.107525253201E+04 -0.67983E-03 -0.19596E-02 4053 0.124E-01 0.177E-01
RMM: 4 -0.107525314222E+04 -0.61021E-03 -0.74430E-03 3660 0.615E-02 0.107E-01
RMM: 5 -0.107525283319E+04 0.30904E-03 -0.24719E-03 3174 0.301E-02 0.574E-02
RMM: 6 -0.107525294788E+04 -0.11470E-03 -0.16711E-03 2692 0.183E-02 0.273E-02
RMM: 7 -0.107525307182E+04 -0.12394E-03 -0.13532E-03 2125 0.132E-02 0.134E-02
RMM: 8 -0.107525318091E+04 -0.10909E-03 -0.12184E-03 1983 0.106E-02 0.793E-03
RMM: 9 -0.107525329470E+04 -0.11379E-03 -0.11747E-03 1916 0.113E-02 0.531E-03
RMM: 10 -0.107525341372E+04 -0.11902E-03 -0.12566E-03 2199 0.153E-02 0.285E-03
RMM: 11 -0.107525352279E+04 -0.10907E-03 -0.11286E-03 1824 0.985E-03 0.223E-03
RMM: 12 -0.107525363020E+04 -0.10741E-03 -0.11234E-03 1901 0.120E-02 0.273E-03
RMM: 13 -0.107525373349E+04 -0.10329E-03 -0.10793E-03 1541 0.123E-02 0.331E-03
RMM: 14 -0.107525383887E+04 -0.10538E-03 -0.11433E-03 1721 0.171E-02 0.424E-03
RMM: 15 -0.107525394165E+04 -0.10278E-03 -0.11029E-03 1562 0.154E-02 0.466E-03
RMM: 16 -0.107525404254E+04 -0.10089E-03 -0.10769E-03 1544 0.155E-02 0.534E-03
RMM: 17 -0.107525414255E+04 -0.10001E-03 -0.10715E-03 1516 0.161E-02 0.617E-03
RMM: 18 -0.107525424120E+04 -0.98655E-04 -0.10633E-03 1538 0.166E-02 0.684E-03
RMM: 19 -0.107525433833E+04 -0.97133E-04 -0.10453E-03 1530 0.164E-02 0.755E-03
RMM: 20 -0.107525443313E+04 -0.94796E-04 -0.10195E-03 1488 0.163E-02 0.817E-03
RMM: 21 -0.107525452841E+04 -0.95285E-04 -0.10359E-03 1572 0.172E-02 0.883E-03
RMM: 22 -0.107525462058E+04 -0.92166E-04 -0.98867E-04 1476 0.160E-02
465 T= 706. E= -.10763455E+04 F= -.10752546E+04 E0= -.10752125E+04 EK= 0.14150E+02 SP= -.15E+02 SK= 0.28E-04
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107532855704E+04 -0.74029E-01 -0.14397E+00 3358 0.123E+00 0.411E-01
RMM: 2 -0.107533546255E+04 -0.69055E-02 -0.10307E-01 4165 0.343E-01 0.315E-01
RMM: 3 -0.107533620949E+04 -0.74694E-03 -0.20387E-02 4054 0.122E-01 0.203E-01
RMM: 4 -0.107533683211E+04 -0.62262E-03 -0.90016E-03 3671 0.622E-02 0.117E-01
RMM: 5 -0.107533654333E+04 0.28877E-03 -0.34977E-03 3220 0.314E-02 0.582E-02
RMM: 6 -0.107533670736E+04 -0.16403E-03 -0.24815E-03 2792 0.187E-02 0.314E-02
RMM: 7 -0.107533691748E+04 -0.21012E-03 -0.21951E-03 2295 0.138E-02 0.156E-02
RMM: 8 -0.107533709634E+04 -0.17886E-03 -0.19446E-03 1967 0.969E-03 0.868E-03
RMM: 9 -0.107533728458E+04 -0.18824E-03 -0.19207E-03 1897 0.111E-02 0.754E-03
RMM: 10 -0.107533747694E+04 -0.19237E-03 -0.19910E-03 2177 0.151E-02 0.471E-03
RMM: 11 -0.107533765622E+04 -0.17928E-03 -0.18306E-03 1748 0.907E-03 0.302E-03
RMM: 12 -0.107533783324E+04 -0.17701E-03 -0.18185E-03 1813 0.126E-02 0.350E-03
RMM: 13 -0.107533800758E+04 -0.17434E-03 -0.18000E-03 1604 0.144E-02 0.394E-03
RMM: 14 -0.107533818428E+04 -0.17670E-03 -0.18442E-03 1676 0.174E-02 0.533E-03
RMM: 15 -0.107533835430E+04 -0.17003E-03 -0.17597E-03 1481 0.138E-02 0.591E-03
RMM: 16 -0.107533852131E+04 -0.16701E-03 -0.17245E-03 1511 0.149E-02 0.720E-03
RMM: 17 -0.107533868564E+04 -0.16433E-03 -0.17078E-03 1537 0.158E-02 0.804E-03
RMM: 18 -0.107533884717E+04 -0.16152E-03 -0.16914E-03 1520 0.168E-02 0.872E-03
RMM: 19 -0.107533900767E+04 -0.16051E-03 -0.16671E-03 1570 0.166E-02 0.102E-02
RMM: 20 -0.107533916368E+04 -0.15601E-03 -0.16407E-03 1532 0.164E-02 0.107E-02
RMM: 21 -0.107533931602E+04 -0.15234E-03 -0.15822E-03 1469 0.153E-02 0.118E-02
RMM: 22 -0.107533946618E+04 -0.15016E-03 -0.15806E-03 1532 0.165E-02 0.124E-02
RMM: 23 -0.107533961254E+04 -0.14636E-03 -0.15353E-03 1462 0.155E-02 0.130E-02
RMM: 24 -0.107533975667E+04 -0.14413E-03 -0.15184E-03 1548 0.163E-02 0.138E-02
RMM: 25 -0.107533989653E+04 -0.13987E-03 -0.14664E-03 1458 0.155E-02 0.146E-02
RMM: 26 -0.107534003421E+04 -0.13767E-03 -0.14588E-03 1542 0.172E-02 0.152E-02
RMM: 27 -0.107534016953E+04 -0.13532E-03 -0.14297E-03 1522 0.161E-02 0.158E-02
RMM: 28 -0.107534030061E+04 -0.13108E-03 -0.13784E-03 1474 0.155E-02 0.165E-02
RMM: 29 -0.107534042950E+04 -0.12889E-03 -0.13594E-03 1486 0.159E-02 0.173E-02
RMM: 30 -0.107534055534E+04 -0.12584E-03 -0.13344E-03 1510 0.160E-02 0.179E-02
RMM: 31 -0.107534067749E+04 -0.12215E-03 -0.12920E-03 1457 0.155E-02 0.185E-02
RMM: 32 -0.107534079735E+04 -0.11986E-03 -0.12737E-03 1490 0.161E-02 0.191E-02
RMM: 33 -0.107534091487E+04 -0.11753E-03 -0.12494E-03 1491 0.158E-02 0.198E-02
RMM: 34 -0.107534102838E+04 -0.11351E-03 -0.12075E-03 1428 0.151E-02 0.204E-02
RMM: 35 -0.107534113908E+04 -0.11070E-03 -0.11822E-03 1468 0.155E-02 0.209E-02
RMM: 36 -0.107534124669E+04 -0.10761E-03 -0.11607E-03 1462 0.161E-02 0.215E-02
RMM: 37 -0.107534135349E+04 -0.10680E-03 -0.11464E-03 1486 0.159E-02 0.220E-02
RMM: 38 -0.107534145468E+04 -0.10119E-03 -0.10868E-03 1416 0.148E-02 0.224E-02
RMM: 39 -0.107534155469E+04 -0.10001E-03 -0.10753E-03 1452 0.160E-02 0.229E-02
RMM: 40 -0.107534165251E+04 -0.97824E-04 -0.10578E-03 1472 0.163E-02 0.234E-02
RMM: 41 -0.107534174845E+04 -0.95942E-04 -0.10377E-03 1492 0.158E-02 0.239E-02
RMM: 42 -0.107534184096E+04 -0.92509E-04 -0.98795E-04 1398 0.146E-02
466 T= 710. E= -.10763590E+04 F= -.10753418E+04 E0= -.10752978E+04 EK= 0.14228E+02 SP= -.15E+02 SK= 0.48E-05
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107557537739E+04 -0.23363E+00 -0.11961E+00 3361 0.113E+00 0.352E-01
RMM: 2 -0.107558133044E+04 -0.59530E-02 -0.85428E-02 4157 0.308E-01 0.268E-01
RMM: 3 -0.107558244863E+04 -0.11182E-02 -0.18144E-02 4137 0.110E-01 0.195E-01
RMM: 4 -0.107558278362E+04 -0.33499E-03 -0.61077E-03 3627 0.524E-02 0.119E-01
RMM: 5 -0.107558254402E+04 0.23960E-03 -0.25711E-03 3103 0.302E-02 0.376E-02
RMM: 6 -0.107558265585E+04 -0.11184E-03 -0.15476E-03 2414 0.161E-02 0.222E-02
RMM: 7 -0.107558278008E+04 -0.12423E-03 -0.13549E-03 2075 0.116E-02 0.121E-02
RMM: 8 -0.107558289422E+04 -0.11413E-03 -0.12276E-03 1976 0.103E-02 0.493E-03
RMM: 9 -0.107558300652E+04 -0.11231E-03 -0.11505E-03 1793 0.101E-02 0.330E-03
RMM: 10 -0.107558312058E+04 -0.11405E-03 -0.11959E-03 1960 0.134E-02 0.158E-03
RMM: 11 -0.107558322478E+04 -0.10420E-03 -0.10890E-03 1822 0.112E-02 0.124E-03
RMM: 12 -0.107558332921E+04 -0.10443E-03 -0.11097E-03 1754 0.136E-02 0.125E-03
RMM: 13 -0.107558342673E+04 -0.97524E-04 -0.10393E-03 1447 0.136E-02 0.151E-03
RMM: 14 -0.107558352703E+04 -0.10030E-03 -0.10817E-03 1558 0.164E-02 0.208E-03
RMM: 15 -0.107558362428E+04 -0.97252E-04 -0.10389E-03 1455 0.148E-02 0.248E-03
RMM: 16 -0.107558372042E+04 -0.96144E-04 -0.10328E-03 1478 0.143E-02 0.289E-03
RMM: 17 -0.107558381104E+04 -0.90613E-04 -0.95578E-04 1325 0.127E-02
467 T= 721. E= -.10763804E+04 F= -.10755838E+04 E0= -.10755411E+04 EK= 0.14448E+02 SP= -.15E+02 SK= 0.28E-04
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107562913860E+04 -0.45418E-01 -0.13950E+00 3346 0.121E+00 0.389E-01
RMM: 2 -0.107563587426E+04 -0.67357E-02 -0.96913E-02 4157 0.330E-01 0.293E-01
RMM: 3 -0.107563679750E+04 -0.92324E-03 -0.19913E-02 4141 0.117E-01 0.190E-01
RMM: 4 -0.107563727280E+04 -0.47530E-03 -0.69948E-03 3598 0.572E-02 0.991E-02
RMM: 5 -0.107563707435E+04 0.19845E-03 -0.27756E-03 3204 0.301E-02 0.543E-02
RMM: 6 -0.107563715851E+04 -0.84168E-04 -0.16048E-03 2527 0.170E-02 0.304E-02
RMM: 7 -0.107563728568E+04 -0.12717E-03 -0.14459E-03 2256 0.133E-02 0.148E-02
RMM: 8 -0.107563739488E+04 -0.10920E-03 -0.12320E-03 1936 0.101E-02 0.647E-03
RMM: 9 -0.107563750690E+04 -0.11202E-03 -0.11566E-03 1847 0.119E-02 0.432E-03
RMM: 10 -0.107563762895E+04 -0.12205E-03 -0.13113E-03 2235 0.180E-02 0.245E-03
RMM: 11 -0.107563773887E+04 -0.10993E-03 -0.11338E-03 1808 0.982E-03 0.208E-03
RMM: 12 -0.107563784481E+04 -0.10593E-03 -0.11114E-03 1725 0.116E-02 0.230E-03
RMM: 13 -0.107563794928E+04 -0.10448E-03 -0.11061E-03 1560 0.136E-02 0.289E-03
RMM: 14 -0.107563805396E+04 -0.10467E-03 -0.11249E-03 1628 0.153E-02 0.323E-03
RMM: 15 -0.107563815426E+04 -0.10031E-03 -0.10646E-03 1476 0.139E-02 0.366E-03
RMM: 16 -0.107563825658E+04 -0.10231E-03 -0.11035E-03 1623 0.161E-02 0.414E-03
RMM: 17 -0.107563835339E+04 -0.96815E-04 -0.10353E-03 1462 0.143E-02 0.444E-03
RMM: 18 -0.107563845034E+04 -0.96947E-04 -0.10413E-03 1578 0.158E-02 0.431E-03
RMM: 19 -0.107563854758E+04 -0.97238E-04 -0.10526E-03 1720 0.166E-02 0.407E-03
RMM: 20 -0.107563864200E+04 -0.94426E-04 -0.10148E-03 1520 0.152E-02 0.404E-03
RMM: 21 -0.107563873511E+04 -0.93107E-04 -0.10101E-03 1503 0.159E-02 0.419E-03
RMM: 22 -0.107563882755E+04 -0.92438E-04 -0.10032E-03 1503 0.160E-02 0.454E-03
RMM: 23 -0.107563891957E+04 -0.92020E-04 -0.10004E-03 1516 0.164E-02 0.509E-03
RMM: 24 -0.107563901045E+04 -0.90887E-04 -0.98466E-04 1532 0.157E-02
468 T= 723. E= -.10763831E+04 F= -.10756390E+04 E0= -.10756006E+04 EK= 0.14492E+02 SP= -.15E+02 SK= 0.28E-03
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107545450760E+04 0.18441E+00 -0.15446E+00 3330 0.128E+00 0.333E-01
RMM: 2 -0.107546215109E+04 -0.76435E-02 -0.10066E-01 4157 0.358E-01 0.248E-01
RMM: 3 -0.107546316264E+04 -0.10116E-02 -0.17239E-02 4088 0.119E-01 0.169E-01
RMM: 4 -0.107546328234E+04 -0.11970E-03 -0.51928E-03 3460 0.564E-02 0.524E-02
RMM: 5 -0.107546343689E+04 -0.15455E-03 -0.24286E-03 3298 0.295E-02 0.427E-02
RMM: 6 -0.107546348144E+04 -0.44552E-04 -0.12553E-03 2148 0.157E-02 0.288E-02
RMM: 7 -0.107546358854E+04 -0.10710E-03 -0.12399E-03 2343 0.145E-02 0.126E-02
RMM: 8 -0.107546368205E+04 -0.93514E-04 -0.10030E-03 1888 0.100E-02 0.746E-03
RMM: 9 -0.107546376903E+04 -0.86978E-04 -0.93431E-04 1784 0.113E-02
469 T= 715. E= -.10763490E+04 F= -.10754638E+04 E0= -.10754286E+04 EK= 0.14331E+02 SP= -.15E+02 SK= 0.70E-03
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107548553341E+04 -0.21851E-01 -0.20702E+00 3395 0.140E+00 0.509E-01
RMM: 2 -0.107549285082E+04 -0.73174E-02 -0.12692E-01 4151 0.384E-01 0.361E-01
RMM: 3 -0.107549364198E+04 -0.79117E-03 -0.25525E-02 4114 0.141E-01 0.181E-01
RMM: 4 -0.107549455437E+04 -0.91239E-03 -0.99386E-03 3980 0.703E-02 0.138E-01
RMM: 5 -0.107549393110E+04 0.62327E-03 -0.24190E-03 3097 0.312E-02 0.744E-02
RMM: 6 -0.107549409689E+04 -0.16579E-03 -0.24225E-03 2981 0.239E-02 0.264E-02
RMM: 7 -0.107549418725E+04 -0.90360E-04 -0.13407E-03 2094 0.144E-02 0.138E-02
RMM: 8 -0.107549431130E+04 -0.12405E-03 -0.13045E-03 1951 0.109E-02 0.120E-02
RMM: 9 -0.107549442137E+04 -0.11007E-03 -0.11176E-03 1858 0.932E-03 0.641E-03
RMM: 10 -0.107549453553E+04 -0.11415E-03 -0.11734E-03 1870 0.104E-02 0.362E-03
RMM: 11 -0.107549463799E+04 -0.10246E-03 -0.10594E-03 1825 0.102E-02 0.257E-03
RMM: 12 -0.107549474061E+04 -0.10262E-03 -0.10567E-03 1800 0.102E-02 0.136E-03
RMM: 13 -0.107549483505E+04 -0.94443E-04 -0.99542E-04 1730 0.125E-02
470 T= 715. E= -.10763531E+04 F= -.10754948E+04 E0= -.10754603E+04 EK= 0.14333E+02 SP= -.15E+02 SK= 0.11E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107570656506E+04 -0.21182E+00 -0.10751E+00 3453 0.107E+00 0.273E-01
RMM: 2 -0.107571225665E+04 -0.56916E-02 -0.70678E-02 4117 0.292E-01 0.211E-01
RMM: 3 -0.107571304495E+04 -0.78830E-03 -0.13808E-02 4018 0.103E-01 0.139E-01
RMM: 4 -0.107571322038E+04 -0.17543E-03 -0.45923E-03 3343 0.490E-02 0.500E-02
RMM: 5 -0.107571338020E+04 -0.15982E-03 -0.23944E-03 3171 0.264E-02 0.416E-02
RMM: 6 -0.107571346658E+04 -0.86380E-04 -0.15070E-03 2077 0.147E-02 0.268E-02
RMM: 7 -0.107571361531E+04 -0.14873E-03 -0.16454E-03 2549 0.167E-02 0.145E-02
RMM: 8 -0.107571374041E+04 -0.12510E-03 -0.13770E-03 1832 0.965E-03 0.735E-03
RMM: 9 -0.107571386654E+04 -0.12613E-03 -0.13136E-03 1812 0.960E-03 0.667E-03
RMM: 10 -0.107571399596E+04 -0.12942E-03 -0.13335E-03 1968 0.120E-02 0.620E-03
RMM: 11 -0.107571411784E+04 -0.12188E-03 -0.12851E-03 1924 0.125E-02 0.259E-03
RMM: 12 -0.107571424079E+04 -0.12295E-03 -0.12873E-03 1940 0.126E-02 0.201E-03
RMM: 13 -0.107571435953E+04 -0.11874E-03 -0.12412E-03 1724 0.132E-02 0.272E-03
RMM: 14 -0.107571447792E+04 -0.11838E-03 -0.12426E-03 1536 0.142E-02 0.300E-03
RMM: 15 -0.107571459517E+04 -0.11725E-03 -0.12576E-03 1673 0.169E-02 0.323E-03
RMM: 16 -0.107571471182E+04 -0.11665E-03 -0.12321E-03 1559 0.151E-02 0.337E-03
RMM: 17 -0.107571482440E+04 -0.11257E-03 -0.12011E-03 1607 0.162E-02 0.351E-03
RMM: 18 -0.107571493790E+04 -0.11350E-03 -0.12022E-03 1557 0.164E-02 0.372E-03
RMM: 19 -0.107571505090E+04 -0.11301E-03 -0.12130E-03 1653 0.172E-02 0.401E-03
RMM: 20 -0.107571516179E+04 -0.11088E-03 -0.11747E-03 1489 0.149E-02 0.456E-03
RMM: 21 -0.107571526926E+04 -0.10747E-03 -0.11436E-03 1510 0.156E-02 0.523E-03
RMM: 22 -0.107571537891E+04 -0.10966E-03 -0.11742E-03 1555 0.168E-02 0.572E-03
RMM: 23 -0.107571548560E+04 -0.10668E-03 -0.11369E-03 1517 0.159E-02 0.634E-03
RMM: 24 -0.107571559324E+04 -0.10765E-03 -0.11512E-03 1573 0.159E-02 0.690E-03
RMM: 25 -0.107571569727E+04 -0.10403E-03 -0.11109E-03 1522 0.154E-02 0.744E-03
RMM: 26 -0.107571580084E+04 -0.10357E-03 -0.11088E-03 1520 0.158E-02 0.805E-03
RMM: 27 -0.107571590441E+04 -0.10357E-03 -0.11077E-03 1540 0.163E-02 0.860E-03
RMM: 28 -0.107571600500E+04 -0.10059E-03 -0.10741E-03 1437 0.154E-02 0.917E-03
RMM: 29 -0.107571610625E+04 -0.10125E-03 -0.10958E-03 1524 0.171E-02 0.972E-03
RMM: 30 -0.107571620672E+04 -0.10048E-03 -0.10777E-03 1488 0.159E-02 0.103E-02
RMM: 31 -0.107571630524E+04 -0.98521E-04 -0.10644E-03 1477 0.157E-02 0.108E-02
RMM: 32 -0.107571640253E+04 -0.97285E-04 -0.10577E-03 1497 0.156E-02 0.114E-02
RMM: 33 -0.107571649906E+04 -0.96529E-04 -0.10344E-03 1469 0.152E-02 0.120E-02
RMM: 34 -0.107571659350E+04 -0.94439E-04 -0.10102E-03 1420 0.149E-02 0.125E-02
RMM: 35 -0.107571668916E+04 -0.95667E-04 -0.10356E-03 1498 0.164E-02 0.130E-02
RMM: 36 -0.107571678242E+04 -0.93258E-04 -0.10050E-03 1453 0.154E-02 0.136E-02
RMM: 37 -0.107571687643E+04 -0.94008E-04 -0.10249E-03 1497 0.160E-02 0.141E-02
RMM: 38 -0.107571696861E+04 -0.92182E-04 -0.10033E-03 1405 0.147E-02 0.146E-02
RMM: 39 -0.107571705662E+04 -0.88011E-04 -0.98917E-04 1477 0.159E-02
471 T= 723. E= -.10763849E+04 F= -.10757171E+04 E0= -.10756794E+04 EK= 0.14491E+02 SP= -.15E+02 SK= 0.19E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107577282446E+04 -0.55856E-01 -0.15123E+00 3375 0.121E+00 0.446E-01
RMM: 2 -0.107577897184E+04 -0.61474E-02 -0.96921E-02 4149 0.324E-01 0.328E-01
RMM: 3 -0.107577922370E+04 -0.25185E-03 -0.21871E-02 4034 0.117E-01 0.151E-01
RMM: 4 -0.107577970121E+04 -0.47751E-03 -0.62265E-03 3646 0.527E-02 0.890E-02
RMM: 5 -0.107577973789E+04 -0.36682E-04 -0.25636E-03 2902 0.251E-02 0.661E-02
RMM: 6 -0.107577984767E+04 -0.10978E-03 -0.20131E-03 2746 0.199E-02 0.206E-02
RMM: 7 -0.107577998588E+04 -0.13820E-03 -0.15692E-03 1975 0.122E-02 0.116E-02
RMM: 8 -0.107578012180E+04 -0.13592E-03 -0.14259E-03 1984 0.119E-02 0.909E-03
RMM: 9 -0.107578025110E+04 -0.12930E-03 -0.13361E-03 1874 0.108E-02 0.706E-03
RMM: 10 -0.107578037291E+04 -0.12181E-03 -0.12839E-03 1959 0.125E-02 0.240E-03
RMM: 11 -0.107578048847E+04 -0.11556E-03 -0.12039E-03 1910 0.114E-02 0.199E-03
RMM: 12 -0.107578059425E+04 -0.10578E-03 -0.11082E-03 1773 0.114E-02 0.195E-03
RMM: 13 -0.107578069487E+04 -0.10062E-03 -0.10708E-03 1641 0.136E-02 0.180E-03
RMM: 14 -0.107578079199E+04 -0.97113E-04 -0.10615E-03 1654 0.163E-02 0.210E-03
RMM: 15 -0.107578088348E+04 -0.91498E-04 -0.98556E-04 1499 0.146E-02
472 T= 725. E= -.10763725E+04 F= -.10757809E+04 E0= -.10757409E+04 EK= 0.14525E+02 SP= -.15E+02 SK= 0.31E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107582261167E+04 -0.41820E-01 -0.13608E+00 3411 0.118E+00 0.376E-01
RMM: 2 -0.107582893544E+04 -0.63238E-02 -0.96151E-02 4170 0.327E-01 0.277E-01
RMM: 3 -0.107583031006E+04 -0.13746E-02 -0.23155E-02 4294 0.119E-01 0.207E-01
RMM: 4 -0.107583042843E+04 -0.11836E-03 -0.72879E-03 3744 0.540E-02 0.125E-01
RMM: 5 -0.107583041701E+04 0.11417E-04 -0.38418E-03 3137 0.307E-02 0.452E-02
RMM: 6 -0.107583064770E+04 -0.23069E-03 -0.27702E-03 2464 0.167E-02 0.238E-02
RMM: 7 -0.107583088076E+04 -0.23305E-03 -0.24260E-03 2091 0.121E-02 0.115E-02
RMM: 8 -0.107583111130E+04 -0.23054E-03 -0.23616E-03 2007 0.103E-02 0.621E-03
RMM: 9 -0.107583132552E+04 -0.21422E-03 -0.21602E-03 1838 0.103E-02 0.416E-03
RMM: 10 -0.107583154720E+04 -0.22168E-03 -0.22664E-03 1997 0.141E-02 0.190E-03
RMM: 11 -0.107583174934E+04 -0.20214E-03 -0.20545E-03 1862 0.119E-02 0.160E-03
RMM: 12 -0.107583195654E+04 -0.20720E-03 -0.21346E-03 1865 0.136E-02 0.190E-03
RMM: 13 -0.107583214581E+04 -0.18927E-03 -0.19414E-03 1554 0.117E-02 0.281E-03
RMM: 14 -0.107583233813E+04 -0.19232E-03 -0.19765E-03 1494 0.135E-02 0.358E-03
RMM: 15 -0.107583251808E+04 -0.17995E-03 -0.18587E-03 1513 0.146E-02 0.421E-03
RMM: 16 -0.107583270180E+04 -0.18372E-03 -0.19136E-03 1616 0.162E-02 0.481E-03
RMM: 17 -0.107583287230E+04 -0.17050E-03 -0.17688E-03 1492 0.149E-02 0.529E-03
RMM: 18 -0.107583304430E+04 -0.17200E-03 -0.17879E-03 1530 0.158E-02 0.572E-03
RMM: 19 -0.107583320701E+04 -0.16271E-03 -0.16949E-03 1500 0.155E-02 0.634E-03
RMM: 20 -0.107583337038E+04 -0.16337E-03 -0.17063E-03 1510 0.155E-02 0.707E-03
RMM: 21 -0.107583352366E+04 -0.15329E-03 -0.16013E-03 1464 0.150E-02 0.775E-03
RMM: 22 -0.107583367845E+04 -0.15479E-03 -0.16289E-03 1510 0.162E-02 0.850E-03
RMM: 23 -0.107583382668E+04 -0.14823E-03 -0.15802E-03 1528 0.162E-02 0.916E-03
RMM: 24 -0.107583397057E+04 -0.14389E-03 -0.15500E-03 1507 0.155E-02 0.985E-03
RMM: 25 -0.107583410815E+04 -0.13758E-03 -0.14446E-03 1470 0.153E-02 0.106E-02
RMM: 26 -0.107583424722E+04 -0.13907E-03 -0.14656E-03 1504 0.164E-02 0.112E-02
RMM: 27 -0.107583437999E+04 -0.13277E-03 -0.14042E-03 1521 0.162E-02 0.119E-02
RMM: 28 -0.107583451066E+04 -0.13067E-03 -0.13761E-03 1455 0.154E-02 0.125E-02
RMM: 29 -0.107583463676E+04 -0.12610E-03 -0.13393E-03 1503 0.167E-02 0.132E-02
RMM: 30 -0.107583476147E+04 -0.12471E-03 -0.13238E-03 1501 0.165E-02 0.138E-02
RMM: 31 -0.107583488268E+04 -0.12121E-03 -0.12907E-03 1535 0.164E-02 0.144E-02
RMM: 32 -0.107583500104E+04 -0.11836E-03 -0.12512E-03 1450 0.152E-02 0.150E-02
RMM: 33 -0.107583511435E+04 -0.11330E-03 -0.11990E-03 1447 0.156E-02 0.157E-02
RMM: 34 -0.107583522853E+04 -0.11418E-03 -0.12197E-03 1505 0.167E-02 0.162E-02
RMM: 35 -0.107583533755E+04 -0.10903E-03 -0.11628E-03 1452 0.156E-02 0.169E-02
RMM: 36 -0.107583544577E+04 -0.10821E-03 -0.11577E-03 1470 0.158E-02 0.174E-02
RMM: 37 -0.107583554942E+04 -0.10365E-03 -0.11099E-03 1436 0.157E-02 0.180E-02
RMM: 38 -0.107583565192E+04 -0.10250E-03 -0.11059E-03 1458 0.162E-02 0.185E-02
RMM: 39 -0.107583575237E+04 -0.10045E-03 -0.10776E-03 1481 0.163E-02 0.191E-02
RMM: 40 -0.107583584979E+04 -0.97422E-04 -0.10432E-03 1433 0.153E-02 0.196E-02
RMM: 41 -0.107583594744E+04 -0.97645E-04 -0.10569E-03 1522 0.162E-02 0.200E-02
RMM: 42 -0.107583603994E+04 -0.92503E-04 -0.98551E-04 1379 0.142E-02
473 T= 725. E= -.10763660E+04 F= -.10758360E+04 E0= -.10757951E+04 EK= 0.14533E+02 SP= -.15E+02 SK= 0.48E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107595787056E+04 -0.12192E+00 -0.11535E+00 3398 0.112E+00 0.321E-01
RMM: 2 -0.107596369365E+04 -0.58231E-02 -0.79685E-02 4138 0.307E-01 0.240E-01
RMM: 3 -0.107596470122E+04 -0.10076E-02 -0.15669E-02 4145 0.107E-01 0.168E-01
RMM: 4 -0.107596505392E+04 -0.35269E-03 -0.56077E-03 3601 0.509E-02 0.101E-01
RMM: 5 -0.107596489908E+04 0.15484E-03 -0.21972E-03 3104 0.276E-02 0.380E-02
RMM: 6 -0.107596501269E+04 -0.11362E-03 -0.14437E-03 2229 0.156E-02 0.225E-02
RMM: 7 -0.107596512113E+04 -0.10844E-03 -0.12415E-03 2031 0.118E-02 0.125E-02
RMM: 8 -0.107596522910E+04 -0.10797E-03 -0.11626E-03 2033 0.115E-02 0.461E-03
RMM: 9 -0.107596533694E+04 -0.10783E-03 -0.11090E-03 1827 0.108E-02 0.300E-03
RMM: 10 -0.107596544389E+04 -0.10696E-03 -0.11264E-03 1959 0.134E-02 0.148E-03
RMM: 11 -0.107596554402E+04 -0.10013E-03 -0.10455E-03 1801 0.115E-02 0.120E-03
RMM: 12 -0.107596564478E+04 -0.10075E-03 -0.10792E-03 1876 0.143E-02 0.144E-03
RMM: 13 -0.107596573957E+04 -0.94794E-04 -0.10035E-03 1544 0.123E-02 0.193E-03
RMM: 14 -0.107596583162E+04 -0.92054E-04 -0.97606E-04 1424 0.135E-02
474 T= 728. E= -.10763757E+04 F= -.10759658E+04 E0= -.10759261E+04 EK= 0.14588E+02 SP= -.15E+02 SK= 0.69E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107602508063E+04 -0.59341E-01 -0.13140E+00 3378 0.119E+00 0.338E-01
RMM: 2 -0.107603208512E+04 -0.70045E-02 -0.93249E-02 4139 0.326E-01 0.265E-01
RMM: 3 -0.107603328986E+04 -0.12047E-02 -0.19274E-02 4110 0.115E-01 0.205E-01
RMM: 4 -0.107603357220E+04 -0.28233E-03 -0.79375E-03 3652 0.544E-02 0.120E-01
RMM: 5 -0.107603362366E+04 -0.51468E-04 -0.41886E-03 3113 0.306E-02 0.398E-02
RMM: 6 -0.107603389932E+04 -0.27566E-03 -0.30552E-03 2419 0.166E-02 0.241E-02
RMM: 7 -0.107603414910E+04 -0.24978E-03 -0.26804E-03 2053 0.118E-02 0.144E-02
RMM: 8 -0.107603439716E+04 -0.24806E-03 -0.25515E-03 1956 0.106E-02 0.589E-03
RMM: 9 -0.107603462774E+04 -0.23058E-03 -0.23303E-03 1807 0.980E-03 0.380E-03
RMM: 10 -0.107603485504E+04 -0.22730E-03 -0.23135E-03 1949 0.126E-02 0.199E-03
RMM: 11 -0.107603506172E+04 -0.20668E-03 -0.21061E-03 1825 0.118E-02 0.174E-03
RMM: 12 -0.107603526654E+04 -0.20481E-03 -0.21201E-03 1876 0.140E-02 0.221E-03
RMM: 13 -0.107603545484E+04 -0.18830E-03 -0.19397E-03 1536 0.123E-02 0.341E-03
RMM: 14 -0.107603563839E+04 -0.18355E-03 -0.19067E-03 1516 0.141E-02 0.375E-03
RMM: 15 -0.107603581127E+04 -0.17288E-03 -0.18013E-03 1529 0.153E-02 0.357E-03
RMM: 16 -0.107603597997E+04 -0.16870E-03 -0.17668E-03 1635 0.160E-02 0.331E-03
RMM: 17 -0.107603613837E+04 -0.15840E-03 -0.16554E-03 1616 0.155E-02 0.325E-03
RMM: 18 -0.107603629333E+04 -0.15496E-03 -0.16157E-03 1502 0.149E-02 0.351E-03
RMM: 19 -0.107603644031E+04 -0.14698E-03 -0.15371E-03 1474 0.149E-02 0.417E-03
RMM: 20 -0.107603658155E+04 -0.14124E-03 -0.14802E-03 1443 0.145E-02 0.474E-03
RMM: 21 -0.107603671647E+04 -0.13492E-03 -0.14199E-03 1492 0.151E-02 0.541E-03
RMM: 22 -0.107603684757E+04 -0.13111E-03 -0.13815E-03 1472 0.148E-02 0.609E-03
RMM: 23 -0.107603697208E+04 -0.12451E-03 -0.13192E-03 1485 0.153E-02 0.675E-03
RMM: 24 -0.107603709196E+04 -0.11987E-03 -0.12683E-03 1448 0.149E-02 0.741E-03
RMM: 25 -0.107603720766E+04 -0.11570E-03 -0.12331E-03 1486 0.159E-02 0.806E-03
RMM: 26 -0.107603732072E+04 -0.11306E-03 -0.12074E-03 1503 0.159E-02 0.870E-03
RMM: 27 -0.107603742762E+04 -0.10690E-03 -0.11474E-03 1492 0.158E-02 0.932E-03
RMM: 28 -0.107603753294E+04 -0.10532E-03 -0.11247E-03 1465 0.157E-02 0.995E-03
RMM: 29 -0.107603763276E+04 -0.99815E-04 -0.10787E-03 1510 0.164E-02 0.105E-02
RMM: 30 -0.107603773208E+04 -0.99324E-04 -0.10727E-03 1486 0.162E-02 0.111E-02
RMM: 31 -0.107603782625E+04 -0.94166E-04 -0.10140E-03 1465 0.158E-02 0.116E-02
RMM: 32 -0.107603791998E+04 -0.93735E-04 -0.10186E-03 1495 0.163E-02 0.121E-02
RMM: 33 -0.107603800935E+04 -0.89363E-04 -0.96213E-04 1449 0.154E-02
475 T= 728. E= -.10763812E+04 F= -.10760380E+04 E0= -.10759985E+04 EK= 0.14576E+02 SP= -.15E+02 SK= 0.96E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107597257039E+04 0.65350E-01 -0.14303E+00 3387 0.124E+00 0.360E-01
RMM: 2 -0.107597936485E+04 -0.67945E-02 -0.95125E-02 4167 0.342E-01 0.276E-01
RMM: 3 -0.107598018615E+04 -0.82130E-03 -0.18196E-02 4086 0.120E-01 0.182E-01
RMM: 4 -0.107598063339E+04 -0.44724E-03 -0.66639E-03 3631 0.581E-02 0.108E-01
RMM: 5 -0.107598034091E+04 0.29248E-03 -0.24658E-03 3143 0.301E-02 0.489E-02
RMM: 6 -0.107598043515E+04 -0.94237E-04 -0.15207E-03 2601 0.175E-02 0.238E-02
RMM: 7 -0.107598056176E+04 -0.12661E-03 -0.13130E-03 2083 0.124E-02 0.105E-02
RMM: 8 -0.107598066683E+04 -0.10508E-03 -0.11233E-03 1877 0.932E-03 0.733E-03
RMM: 9 -0.107598077454E+04 -0.10771E-03 -0.11118E-03 1772 0.103E-02 0.452E-03
RMM: 10 -0.107598088091E+04 -0.10637E-03 -0.11338E-03 2102 0.150E-02 0.245E-03
RMM: 11 -0.107598098434E+04 -0.10343E-03 -0.10794E-03 1780 0.118E-02 0.167E-03
RMM: 12 -0.107598108630E+04 -0.10196E-03 -0.10889E-03 1967 0.139E-02 0.209E-03
RMM: 13 -0.107598118473E+04 -0.98425E-04 -0.10290E-03 1540 0.111E-02 0.270E-03
RMM: 14 -0.107598127636E+04 -0.91639E-04 -0.97656E-04 1471 0.136E-02
476 T= 720. E= -.10763787E+04 F= -.10759813E+04 E0= -.10759414E+04 EK= 0.14432E+02 SP= -.15E+02 SK= 0.12E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107582429556E+04 0.15689E+00 -0.14878E+00 3406 0.123E+00 0.394E-01
RMM: 2 -0.107583085675E+04 -0.65612E-02 -0.96974E-02 4151 0.336E-01 0.302E-01
RMM: 3 -0.107583152415E+04 -0.66740E-03 -0.19856E-02 4066 0.121E-01 0.181E-01
RMM: 4 -0.107583209900E+04 -0.57485E-03 -0.88337E-03 3642 0.614E-02 0.106E-01
RMM: 5 -0.107583193802E+04 0.16098E-03 -0.35258E-03 3132 0.300E-02 0.607E-02
RMM: 6 -0.107583218822E+04 -0.25020E-03 -0.28891E-03 2744 0.193E-02 0.288E-02
RMM: 7 -0.107583239638E+04 -0.20817E-03 -0.24489E-03 2164 0.136E-02 0.143E-02
RMM: 8 -0.107583260845E+04 -0.21207E-03 -0.22604E-03 1995 0.114E-02 0.893E-03
RMM: 9 -0.107583282937E+04 -0.22092E-03 -0.22416E-03 2053 0.116E-02 0.632E-03
RMM: 10 -0.107583304129E+04 -0.21192E-03 -0.21655E-03 1906 0.113E-02 0.252E-03
RMM: 11 -0.107583324868E+04 -0.20739E-03 -0.21100E-03 1833 0.106E-02 0.251E-03
RMM: 12 -0.107583344832E+04 -0.19964E-03 -0.20365E-03 1804 0.114E-02 0.355E-03
RMM: 13 -0.107583364513E+04 -0.19681E-03 -0.20085E-03 1643 0.122E-02 0.423E-03
RMM: 14 -0.107583383595E+04 -0.19082E-03 -0.19663E-03 1566 0.141E-02 0.527E-03
RMM: 15 -0.107583402352E+04 -0.18757E-03 -0.19425E-03 1550 0.153E-02 0.639E-03
RMM: 16 -0.107583420635E+04 -0.18283E-03 -0.18953E-03 1559 0.161E-02 0.760E-03
RMM: 17 -0.107583438526E+04 -0.17891E-03 -0.18541E-03 1499 0.163E-02 0.852E-03
RMM: 18 -0.107583456303E+04 -0.17777E-03 -0.18449E-03 1573 0.175E-02 0.966E-03
RMM: 19 -0.107583473473E+04 -0.17170E-03 -0.17780E-03 1481 0.162E-02 0.108E-02
RMM: 20 -0.107583490420E+04 -0.16947E-03 -0.17758E-03 1584 0.175E-02 0.118E-02
RMM: 21 -0.107583506931E+04 -0.16511E-03 -0.17167E-03 1501 0.159E-02 0.128E-02
RMM: 22 -0.107583523029E+04 -0.16098E-03 -0.16937E-03 1553 0.168E-02 0.138E-02
RMM: 23 -0.107583538843E+04 -0.15814E-03 -0.16410E-03 1448 0.152E-02 0.147E-02
RMM: 24 -0.107583554261E+04 -0.15418E-03 -0.16105E-03 1531 0.161E-02 0.156E-02
RMM: 25 -0.107583569355E+04 -0.15094E-03 -0.15756E-03 1477 0.158E-02 0.165E-02
RMM: 26 -0.107583584164E+04 -0.14808E-03 -0.15523E-03 1512 0.165E-02 0.174E-02
RMM: 27 -0.107583598646E+04 -0.14483E-03 -0.15176E-03 1510 0.161E-02 0.183E-02
RMM: 28 -0.107583612868E+04 -0.14222E-03 -0.14935E-03 1507 0.165E-02 0.191E-02
RMM: 29 -0.107583626782E+04 -0.13914E-03 -0.14638E-03 1480 0.162E-02 0.200E-02
RMM: 30 -0.107583640358E+04 -0.13576E-03 -0.14292E-03 1476 0.159E-02 0.208E-02
RMM: 31 -0.107583653617E+04 -0.13259E-03 -0.13928E-03 1451 0.160E-02 0.216E-02
RMM: 32 -0.107583666763E+04 -0.13146E-03 -0.13908E-03 1531 0.169E-02 0.224E-02
RMM: 33 -0.107583679432E+04 -0.12669E-03 -0.13333E-03 1420 0.153E-02 0.232E-02
RMM: 34 -0.107583692102E+04 -0.12670E-03 -0.13446E-03 1535 0.169E-02 0.239E-02
RMM: 35 -0.107583704424E+04 -0.12322E-03 -0.12978E-03 1468 0.153E-02 0.247E-02
RMM: 36 -0.107583716443E+04 -0.12019E-03 -0.12688E-03 1449 0.151E-02 0.254E-02
RMM: 37 -0.107583728178E+04 -0.11735E-03 -0.12370E-03 1426 0.153E-02 0.262E-02
RMM: 38 -0.107583739728E+04 -0.11549E-03 -0.12280E-03 1433 0.164E-02 0.269E-02
RMM: 39 -0.107583751246E+04 -0.11518E-03 -0.12312E-03 1490 0.165E-02 0.276E-02
RMM: 40 -0.107583762251E+04 -0.11005E-03 -0.11655E-03 1422 0.152E-02 0.283E-02
RMM: 41 -0.107583773155E+04 -0.10904E-03 -0.11630E-03 1445 0.162E-02 0.289E-02
RMM: 42 -0.107583783923E+04 -0.10769E-03 -0.11538E-03 1466 0.165E-02 0.296E-02
RMM: 43 -0.107583794422E+04 -0.10499E-03 -0.11212E-03 1441 0.159E-02 0.303E-02
RMM: 44 -0.107583804817E+04 -0.10395E-03 -0.11120E-03 1477 0.162E-02 0.309E-02
RMM: 45 -0.107583814982E+04 -0.10165E-03 -0.10853E-03 1421 0.153E-02 0.315E-02
RMM: 46 -0.107583824897E+04 -0.99152E-04 -0.10588E-03 1431 0.153E-02 0.322E-02
RMM: 47 -0.107583834860E+04 -0.99629E-04 -0.10662E-03 1459 0.155E-02 0.328E-02
RMM: 48 -0.107583844505E+04 -0.96449E-04 -0.10329E-03 1433 0.148E-02 0.334E-02
RMM: 49 -0.107583853803E+04 -0.92987E-04 -0.99280E-04 1375 0.142E-02
477 T= 708. E= -.10763768E+04 F= -.10758385E+04 E0= -.10757957E+04 EK= 0.14193E+02 SP= -.15E+02 SK= 0.14E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107566926567E+04 0.16918E+00 -0.14862E+00 3397 0.124E+00 0.390E-01
RMM: 2 -0.107567594191E+04 -0.66762E-02 -0.94916E-02 4143 0.326E-01 0.297E-01
RMM: 3 -0.107567695299E+04 -0.10111E-02 -0.19859E-02 4050 0.117E-01 0.206E-01
RMM: 4 -0.107567709024E+04 -0.13725E-03 -0.72268E-03 3524 0.580E-02 0.101E-01
RMM: 5 -0.107567705174E+04 0.38495E-04 -0.30174E-03 3221 0.303E-02 0.467E-02
RMM: 6 -0.107567717619E+04 -0.12444E-03 -0.18403E-03 2532 0.169E-02 0.249E-02
RMM: 7 -0.107567734863E+04 -0.17245E-03 -0.17696E-03 2154 0.130E-02 0.106E-02
RMM: 8 -0.107567748851E+04 -0.13987E-03 -0.14739E-03 1919 0.940E-03 0.693E-03
RMM: 9 -0.107567763327E+04 -0.14477E-03 -0.14775E-03 1802 0.101E-02 0.467E-03
RMM: 10 -0.107567777201E+04 -0.13874E-03 -0.14506E-03 2141 0.150E-02 0.189E-03
RMM: 11 -0.107567790876E+04 -0.13674E-03 -0.14069E-03 1805 0.113E-02 0.145E-03
RMM: 12 -0.107567803617E+04 -0.12741E-03 -0.13395E-03 1893 0.135E-02 0.174E-03
RMM: 13 -0.107567816546E+04 -0.12929E-03 -0.13559E-03 1637 0.130E-02 0.266E-03
RMM: 14 -0.107567828295E+04 -0.11749E-03 -0.12279E-03 1453 0.127E-02 0.257E-03
RMM: 15 -0.107567840314E+04 -0.12018E-03 -0.12766E-03 1534 0.151E-02 0.268E-03
RMM: 16 -0.107567851655E+04 -0.11342E-03 -0.12111E-03 1575 0.157E-02 0.271E-03
RMM: 17 -0.107567862882E+04 -0.11227E-03 -0.11950E-03 1507 0.151E-02 0.275E-03
RMM: 18 -0.107567873604E+04 -0.10722E-03 -0.11475E-03 1549 0.162E-02 0.300E-03
RMM: 19 -0.107567884291E+04 -0.10688E-03 -0.11450E-03 1490 0.157E-02 0.333E-03
RMM: 20 -0.107567894548E+04 -0.10256E-03 -0.10964E-03 1468 0.153E-02 0.375E-03
RMM: 21 -0.107567904603E+04 -0.10055E-03 -0.10780E-03 1448 0.151E-02 0.422E-03
RMM: 22 -0.107567914350E+04 -0.97474E-04 -0.10498E-03 1482 0.154E-02 0.466E-03
RMM: 23 -0.107567923852E+04 -0.95014E-04 -0.10231E-03 1446 0.147E-02 0.511E-03
RMM: 24 -0.107567933102E+04 -0.92506E-04 -0.10019E-03 1502 0.155E-02 0.556E-03
RMM: 25 -0.107567942088E+04 -0.89856E-04 -0.96918E-04 1432 0.150E-02
478 T= 696. E= -.10763731E+04 F= -.10756794E+04 E0= -.10756348E+04 EK= 0.13939E+02 SP= -.15E+02 SK= 0.14E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107556619465E+04 0.11314E+00 -0.15161E+00 3365 0.124E+00 0.439E-01
RMM: 2 -0.107557168093E+04 -0.54863E-02 -0.10323E-01 4204 0.337E-01 0.315E-01
RMM: 3 -0.107557276714E+04 -0.10862E-02 -0.23951E-02 4216 0.125E-01 0.203E-01
RMM: 4 -0.107557340836E+04 -0.64122E-03 -0.98062E-03 3748 0.622E-02 0.127E-01
RMM: 5 -0.107557323028E+04 0.17808E-03 -0.44048E-03 3191 0.318E-02 0.592E-02
RMM: 6 -0.107557347972E+04 -0.24945E-03 -0.32351E-03 2892 0.191E-02 0.261E-02
RMM: 7 -0.107557377500E+04 -0.29528E-03 -0.30105E-03 2059 0.121E-02 0.128E-02
RMM: 8 -0.107557404065E+04 -0.26565E-03 -0.27235E-03 2033 0.101E-02 0.820E-03
RMM: 9 -0.107557431678E+04 -0.27613E-03 -0.27817E-03 1901 0.103E-02 0.503E-03
RMM: 10 -0.107557458051E+04 -0.26373E-03 -0.26958E-03 2134 0.144E-02 0.264E-03
RMM: 11 -0.107557484922E+04 -0.26871E-03 -0.27108E-03 1833 0.104E-02 0.273E-03
RMM: 12 -0.107557509885E+04 -0.24963E-03 -0.25424E-03 1742 0.105E-02 0.323E-03
RMM: 13 -0.107557535370E+04 -0.25486E-03 -0.25744E-03 1518 0.103E-02 0.533E-03
RMM: 14 -0.107557559067E+04 -0.23697E-03 -0.24268E-03 1503 0.126E-02 0.478E-03
RMM: 15 -0.107557583263E+04 -0.24196E-03 -0.24928E-03 1777 0.150E-02 0.319E-03
RMM: 16 -0.107557606200E+04 -0.22937E-03 -0.23625E-03 1607 0.153E-02 0.351E-03
RMM: 17 -0.107557629241E+04 -0.23041E-03 -0.23688E-03 1529 0.155E-02 0.440E-03
RMM: 18 -0.107557651279E+04 -0.22038E-03 -0.22696E-03 1533 0.158E-02 0.544E-03
RMM: 19 -0.107557673259E+04 -0.21980E-03 -0.22610E-03 1489 0.153E-02 0.643E-03
RMM: 20 -0.107557694172E+04 -0.20913E-03 -0.21561E-03 1498 0.158E-02 0.748E-03
RMM: 21 -0.107557715051E+04 -0.20879E-03 -0.21566E-03 1505 0.159E-02 0.848E-03
RMM: 22 -0.107557735010E+04 -0.19959E-03 -0.20626E-03 1493 0.156E-02 0.945E-03
RMM: 23 -0.107557754823E+04 -0.19813E-03 -0.20446E-03 1482 0.154E-02 0.105E-02
RMM: 24 -0.107557773833E+04 -0.19010E-03 -0.19750E-03 1518 0.159E-02 0.114E-02
RMM: 25 -0.107557792648E+04 -0.18815E-03 -0.19487E-03 1484 0.154E-02 0.124E-02
RMM: 26 -0.107557810757E+04 -0.18109E-03 -0.18864E-03 1528 0.158E-02 0.132E-02
RMM: 27 -0.107557828549E+04 -0.17792E-03 -0.18467E-03 1463 0.152E-02 0.141E-02
RMM: 28 -0.107557845644E+04 -0.17095E-03 -0.17827E-03 1501 0.159E-02 0.150E-02
RMM: 29 -0.107557862616E+04 -0.16972E-03 -0.17718E-03 1500 0.160E-02 0.158E-02
RMM: 30 -0.107557878852E+04 -0.16236E-03 -0.16942E-03 1425 0.155E-02 0.167E-02
RMM: 31 -0.107557894878E+04 -0.16026E-03 -0.16826E-03 1475 0.165E-02 0.175E-02
RMM: 32 -0.107557910429E+04 -0.15551E-03 -0.16417E-03 1535 0.167E-02 0.183E-02
RMM: 33 -0.107557925623E+04 -0.15195E-03 -0.15823E-03 1431 0.147E-02 0.190E-02
RMM: 34 -0.107557940361E+04 -0.14738E-03 -0.15443E-03 1478 0.157E-02 0.198E-02
RMM: 35 -0.107557954758E+04 -0.14397E-03 -0.15068E-03 1437 0.153E-02 0.205E-02
RMM: 36 -0.107557968917E+04 -0.14159E-03 -0.14940E-03 1480 0.161E-02 0.212E-02
RMM: 37 -0.107557982609E+04 -0.13692E-03 -0.14334E-03 1428 0.147E-02 0.219E-02
RMM: 38 -0.107557995963E+04 -0.13354E-03 -0.14096E-03 1436 0.155E-02 0.226E-02
RMM: 39 -0.107558008939E+04 -0.12976E-03 -0.13641E-03 1395 0.150E-02 0.233E-02
RMM: 40 -0.107558021627E+04 -0.12688E-03 -0.13447E-03 1471 0.161E-02 0.240E-02
RMM: 41 -0.107558034158E+04 -0.12531E-03 -0.13232E-03 1443 0.156E-02 0.246E-02
RMM: 42 -0.107558046189E+04 -0.12030E-03 -0.12790E-03 1446 0.154E-02 0.252E-02
RMM: 43 -0.107558058084E+04 -0.11895E-03 -0.12590E-03 1436 0.154E-02 0.259E-02
RMM: 44 -0.107558069561E+04 -0.11477E-03 -0.12195E-03 1404 0.156E-02 0.265E-02
RMM: 45 -0.107558080970E+04 -0.11409E-03 -0.12181E-03 1457 0.160E-02 0.271E-02
RMM: 46 -0.107558091922E+04 -0.10953E-03 -0.11632E-03 1385 0.150E-02 0.276E-02
RMM: 47 -0.107558102835E+04 -0.10912E-03 -0.11633E-03 1442 0.160E-02 0.283E-02
RMM: 48 -0.107558113303E+04 -0.10469E-03 -0.11184E-03 1405 0.154E-02 0.289E-02
RMM: 49 -0.107558123675E+04 -0.10372E-03 -0.11096E-03 1442 0.158E-02 0.294E-02
RMM: 50 -0.107558133812E+04 -0.10137E-03 -0.10840E-03 1427 0.153E-02 0.300E-02
RMM: 51 -0.107558143681E+04 -0.98689E-04 -0.10561E-03 1395 0.149E-02 0.305E-02
RMM: 52 -0.107558153315E+04 -0.96341E-04 -0.10353E-03 1409 0.153E-02 0.310E-02
RMM: 53 -0.107558162755E+04 -0.94404E-04 -0.10193E-03 1429 0.154E-02 0.314E-02
RMM: 54 -0.107558172003E+04 -0.92478E-04 -0.10003E-03 1426 0.152E-02 0.318E-02
RMM: 55 -0.107558181000E+04 -0.89974E-04 -0.97256E-04 1396 0.151E-02
479 T= 686. E= -.10763716E+04 F= -.10755818E+04 E0= -.10755371E+04 EK= 0.13750E+02 SP= -.15E+02 SK= 0.12E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107553032179E+04 0.51398E-01 -0.13253E+00 3380 0.121E+00 0.351E-01
RMM: 2 -0.107553677950E+04 -0.64577E-02 -0.91614E-02 4181 0.333E-01 0.262E-01
RMM: 3 -0.107553777802E+04 -0.99852E-03 -0.18273E-02 4203 0.116E-01 0.186E-01
RMM: 4 -0.107553807961E+04 -0.30159E-03 -0.60301E-03 3614 0.550E-02 0.110E-01
RMM: 5 -0.107553786518E+04 0.21443E-03 -0.25129E-03 3166 0.313E-02 0.449E-02
RMM: 6 -0.107553793888E+04 -0.73701E-04 -0.13569E-03 2385 0.166E-02 0.269E-02
RMM: 7 -0.107553805419E+04 -0.11531E-03 -0.12693E-03 2206 0.130E-02 0.130E-02
RMM: 8 -0.107553814848E+04 -0.94296E-04 -0.10521E-03 1926 0.963E-03 0.664E-03
RMM: 9 -0.107553824513E+04 -0.96644E-04 -0.10120E-03 1816 0.106E-02 0.420E-03
RMM: 10 -0.107553834782E+04 -0.10269E-03 -0.11066E-03 2091 0.158E-02 0.290E-03
RMM: 11 -0.107553844331E+04 -0.95484E-04 -0.99589E-04 1794 0.107E-02
480 T= 680. E= -.10763722E+04 F= -.10755384E+04 E0= -.10754950E+04 EK= 0.13621E+02 SP= -.14E+02 SK= 0.95E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107550673463E+04 0.31613E-01 -0.16341E+00 3349 0.130E+00 0.419E-01
RMM: 2 -0.107551335887E+04 -0.66242E-02 -0.10817E-01 4184 0.352E-01 0.311E-01
RMM: 3 -0.107551451789E+04 -0.11590E-02 -0.22636E-02 4260 0.126E-01 0.218E-01
RMM: 4 -0.107551472884E+04 -0.21095E-03 -0.76243E-03 3742 0.603E-02 0.127E-01
RMM: 5 -0.107551451522E+04 0.21362E-03 -0.27595E-03 3163 0.309E-02 0.555E-02
RMM: 6 -0.107551464399E+04 -0.12878E-03 -0.18418E-03 2696 0.181E-02 0.292E-02
RMM: 7 -0.107551478243E+04 -0.13844E-03 -0.14985E-03 2085 0.123E-02 0.152E-02
RMM: 8 -0.107551491076E+04 -0.12832E-03 -0.13881E-03 2024 0.104E-02 0.807E-03
RMM: 9 -0.107551504050E+04 -0.12974E-03 -0.13248E-03 1919 0.106E-02 0.477E-03
RMM: 10 -0.107551517241E+04 -0.13191E-03 -0.13815E-03 2070 0.139E-02 0.255E-03
RMM: 11 -0.107551529769E+04 -0.12528E-03 -0.12878E-03 1823 0.106E-02 0.185E-03
RMM: 12 -0.107551542104E+04 -0.12335E-03 -0.12825E-03 1798 0.116E-02 0.175E-03
RMM: 13 -0.107551554128E+04 -0.12024E-03 -0.12500E-03 1632 0.120E-02 0.148E-03
RMM: 14 -0.107551565899E+04 -0.11772E-03 -0.12281E-03 1569 0.127E-02 0.112E-03
RMM: 15 -0.107551577502E+04 -0.11603E-03 -0.12217E-03 1586 0.143E-02 0.884E-04
RMM: 16 -0.107551589196E+04 -0.11694E-03 -0.12381E-03 1638 0.155E-02 0.659E-04
RMM: 17 -0.107551600506E+04 -0.11310E-03 -0.12014E-03 1546 0.151E-02 0.819E-04
RMM: 18 -0.107551611916E+04 -0.11410E-03 -0.12104E-03 1568 0.157E-02 0.937E-04
RMM: 19 -0.107551623115E+04 -0.11198E-03 -0.11876E-03 1474 0.153E-02 0.150E-03
RMM: 20 -0.107551634393E+04 -0.11279E-03 -0.11976E-03 1526 0.154E-02 0.241E-03
RMM: 21 -0.107551645372E+04 -0.10979E-03 -0.11628E-03 1460 0.144E-02 0.298E-03
RMM: 22 -0.107551656395E+04 -0.11023E-03 -0.11708E-03 1509 0.154E-02 0.372E-03
RMM: 23 -0.107551667351E+04 -0.10956E-03 -0.11647E-03 1500 0.150E-02 0.438E-03
RMM: 24 -0.107551678162E+04 -0.10811E-03 -0.11473E-03 1431 0.147E-02 0.508E-03
RMM: 25 -0.107551688903E+04 -0.10741E-03 -0.11506E-03 1517 0.159E-02 0.582E-03
RMM: 26 -0.107551699617E+04 -0.10715E-03 -0.11431E-03 1481 0.160E-02 0.647E-03
RMM: 27 -0.107551710376E+04 -0.10759E-03 -0.11532E-03 1509 0.164E-02 0.715E-03
RMM: 28 -0.107551721047E+04 -0.10671E-03 -0.11380E-03 1501 0.159E-02 0.782E-03
RMM: 29 -0.107551731703E+04 -0.10656E-03 -0.11407E-03 1488 0.163E-02 0.848E-03
RMM: 30 -0.107551742342E+04 -0.10638E-03 -0.11379E-03 1502 0.163E-02 0.915E-03
RMM: 31 -0.107551752912E+04 -0.10570E-03 -0.11280E-03 1478 0.159E-02 0.982E-03
RMM: 32 -0.107551763472E+04 -0.10560E-03 -0.11308E-03 1477 0.162E-02 0.105E-02
RMM: 33 -0.107551774041E+04 -0.10570E-03 -0.11311E-03 1500 0.162E-02 0.111E-02
RMM: 34 -0.107551784492E+04 -0.10451E-03 -0.11129E-03 1457 0.156E-02 0.118E-02
RMM: 35 -0.107551794989E+04 -0.10497E-03 -0.11222E-03 1491 0.159E-02 0.125E-02
RMM: 36 -0.107551805379E+04 -0.10390E-03 -0.11106E-03 1506 0.159E-02 0.132E-02
RMM: 37 -0.107551815860E+04 -0.10481E-03 -0.11210E-03 1509 0.162E-02 0.138E-02
RMM: 38 -0.107551826183E+04 -0.10323E-03 -0.10978E-03 1431 0.153E-02 0.145E-02
RMM: 39 -0.107551836542E+04 -0.10359E-03 -0.11086E-03 1483 0.163E-02 0.152E-02
RMM: 40 -0.107551846933E+04 -0.10391E-03 -0.11107E-03 1499 0.161E-02 0.158E-02
RMM: 41 -0.107551857278E+04 -0.10345E-03 -0.11043E-03 1484 0.158E-02 0.165E-02
RMM: 42 -0.107551867583E+04 -0.10305E-03 -0.11029E-03 1473 0.156E-02 0.172E-02
RMM: 43 -0.107551877829E+04 -0.10246E-03 -0.10888E-03 1433 0.152E-02 0.178E-02
RMM: 44 -0.107551887992E+04 -0.10163E-03 -0.10874E-03 1450 0.159E-02 0.185E-02
RMM: 45 -0.107551898224E+04 -0.10232E-03 -0.10955E-03 1480 0.160E-02 0.191E-02
RMM: 46 -0.107551908370E+04 -0.10146E-03 -0.10820E-03 1460 0.154E-02 0.198E-02
RMM: 47 -0.107551918573E+04 -0.10203E-03 -0.10913E-03 1453 0.158E-02 0.203E-02
RMM: 48 -0.107551928678E+04 -0.10105E-03 -0.10791E-03 1437 0.154E-02 0.210E-02
RMM: 49 -0.107551938773E+04 -0.10095E-03 -0.10774E-03 1432 0.155E-02 0.216E-02
RMM: 50 -0.107551948796E+04 -0.10022E-03 -0.10744E-03 1429 0.155E-02 0.223E-02
RMM: 51 -0.107551958853E+04 -0.10058E-03 -0.10761E-03 1452 0.156E-02 0.229E-02
RMM: 52 -0.107551968756E+04 -0.99026E-04 -0.10568E-03 1384 0.152E-02 0.235E-02
RMM: 53 -0.107551978767E+04 -0.10011E-03 -0.10785E-03 1466 0.164E-02 0.242E-02
RMM: 54 -0.107551988692E+04 -0.99249E-04 -0.10627E-03 1417 0.154E-02 0.248E-02
RMM: 55 -0.107551998471E+04 -0.97786E-04 -0.10483E-03 1408 0.154E-02 0.254E-02
RMM: 56 -0.107552008340E+04 -0.98693E-04 -0.10597E-03 1453 0.160E-02 0.260E-02
RMM: 57 -0.107552018126E+04 -0.97855E-04 -0.10512E-03 1433 0.155E-02 0.266E-02
RMM: 58 -0.107552027846E+04 -0.97204E-04 -0.10412E-03 1402 0.152E-02 0.272E-02
RMM: 59 -0.107552037583E+04 -0.97368E-04 -0.10375E-03 1421 0.151E-02 0.278E-02
RMM: 60 -0.107552047269E+04 -0.96858E-04 -0.10359E-03 1417 0.150E-02 0.284E-02
RMM: 61 -0.107552056788E+04 -0.95197E-04 -0.10162E-03 1388 0.145E-02 0.290E-02
RMM: 62 -0.107552066343E+04 -0.95542E-04 -0.10228E-03 1404 0.153E-02 0.295E-02
RMM: 63 -0.107552075928E+04 -0.95855E-04 -0.10320E-03 1440 0.153E-02 0.300E-02
RMM: 64 -0.107552085273E+04 -0.93444E-04 -0.99741E-04 1360 0.143E-02
481 T= 675. E= -.10763693E+04 F= -.10755209E+04 E0= -.10754772E+04 EK= 0.13534E+02 SP= -.14E+02 SK= 0.68E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107551993160E+04 0.82768E-03 -0.13267E+00 3391 0.121E+00 0.361E-01
RMM: 2 -0.107552545193E+04 -0.55203E-02 -0.89205E-02 4217 0.333E-01 0.264E-01
RMM: 3 -0.107552635536E+04 -0.90343E-03 -0.17625E-02 4224 0.120E-01 0.195E-01
RMM: 4 -0.107552648762E+04 -0.13227E-03 -0.65625E-03 3691 0.553E-02 0.112E-01
RMM: 5 -0.107552646962E+04 0.18001E-04 -0.25924E-03 3150 0.295E-02 0.470E-02
RMM: 6 -0.107552658279E+04 -0.11316E-03 -0.16270E-03 2421 0.171E-02 0.269E-02
RMM: 7 -0.107552671547E+04 -0.13269E-03 -0.14180E-03 2063 0.122E-02 0.151E-02
RMM: 8 -0.107552683188E+04 -0.11640E-03 -0.12837E-03 2067 0.111E-02 0.640E-03
RMM: 9 -0.107552695307E+04 -0.12119E-03 -0.12434E-03 1886 0.106E-02 0.375E-03
RMM: 10 -0.107552707330E+04 -0.12022E-03 -0.12595E-03 1991 0.132E-02 0.165E-03
RMM: 11 -0.107552718592E+04 -0.11263E-03 -0.11705E-03 1824 0.112E-02 0.124E-03
RMM: 12 -0.107552729871E+04 -0.11279E-03 -0.11973E-03 1841 0.138E-02 0.127E-03
RMM: 13 -0.107552740648E+04 -0.10777E-03 -0.11373E-03 1561 0.127E-02 0.131E-03
RMM: 14 -0.107552751172E+04 -0.10524E-03 -0.11275E-03 1527 0.147E-02 0.172E-03
RMM: 15 -0.107552761694E+04 -0.10522E-03 -0.11303E-03 1518 0.153E-02 0.240E-03
RMM: 16 -0.107552771808E+04 -0.10114E-03 -0.10910E-03 1484 0.153E-02 0.265E-03
RMM: 17 -0.107552781733E+04 -0.99246E-04 -0.10666E-03 1475 0.164E-02 0.320E-03
RMM: 18 -0.107552791884E+04 -0.10151E-03 -0.10955E-03 1601 0.174E-02 0.366E-03
RMM: 19 -0.107552801658E+04 -0.97732E-04 -0.10429E-03 1466 0.146E-02 0.414E-03
RMM: 20 -0.107552811052E+04 -0.93941E-04 -0.10021E-03 1418 0.145E-02 0.466E-03
RMM: 21 -0.107552820584E+04 -0.95319E-04 -0.10328E-03 1518 0.168E-02 0.516E-03
RMM: 22 -0.107552829894E+04 -0.93105E-04 -0.10100E-03 1484 0.157E-02 0.563E-03
RMM: 23 -0.107552838966E+04 -0.90716E-04 -0.97446E-04 1452 0.150E-02
482 T= 672. E= -.10763860E+04 F= -.10755284E+04 E0= -.10754840E+04 EK= 0.13465E+02 SP= -.14E+02 SK= 0.42E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107539726464E+04 0.13103E+00 -0.11946E+00 3380 0.113E+00 0.354E-01
RMM: 2 -0.107540227054E+04 -0.50059E-02 -0.82604E-02 4206 0.323E-01 0.260E-01
RMM: 3 -0.107540295124E+04 -0.68071E-03 -0.16119E-02 4229 0.112E-01 0.182E-01
RMM: 4 -0.107540314399E+04 -0.19275E-03 -0.67491E-03 3610 0.531E-02 0.930E-02
RMM: 5 -0.107540320707E+04 -0.63075E-04 -0.32374E-03 3190 0.289E-02 0.472E-02
RMM: 6 -0.107540335448E+04 -0.14741E-03 -0.21036E-03 2472 0.170E-02 0.298E-02
RMM: 7 -0.107540353941E+04 -0.18493E-03 -0.19869E-03 2206 0.138E-02 0.157E-02
RMM: 8 -0.107540369307E+04 -0.15367E-03 -0.16638E-03 1992 0.102E-02 0.640E-03
RMM: 9 -0.107540385186E+04 -0.15878E-03 -0.16321E-03 1895 0.118E-02 0.442E-03
RMM: 10 -0.107540400855E+04 -0.15669E-03 -0.16548E-03 2195 0.174E-02 0.258E-03
RMM: 11 -0.107540415858E+04 -0.15003E-03 -0.15297E-03 1831 0.105E-02 0.199E-03
RMM: 12 -0.107540430046E+04 -0.14188E-03 -0.14872E-03 1944 0.134E-02 0.214E-03
RMM: 13 -0.107540443827E+04 -0.13781E-03 -0.14235E-03 1550 0.113E-02 0.282E-03
RMM: 14 -0.107540456772E+04 -0.12946E-03 -0.13570E-03 1500 0.140E-02 0.299E-03
RMM: 15 -0.107540469860E+04 -0.13087E-03 -0.13949E-03 1635 0.167E-02 0.293E-03
RMM: 16 -0.107540482274E+04 -0.12415E-03 -0.13201E-03 1589 0.159E-02 0.319E-03
RMM: 17 -0.107540494339E+04 -0.12064E-03 -0.12789E-03 1521 0.156E-02 0.346E-03
RMM: 18 -0.107540506116E+04 -0.11777E-03 -0.12601E-03 1582 0.170E-02 0.392E-03
RMM: 19 -0.107540517624E+04 -0.11508E-03 -0.12255E-03 1514 0.161E-02 0.450E-03
RMM: 20 -0.107540528719E+04 -0.11095E-03 -0.11913E-03 1544 0.163E-02 0.498E-03
RMM: 21 -0.107540539622E+04 -0.10903E-03 -0.11611E-03 1498 0.158E-02 0.548E-03
RMM: 22 -0.107540550235E+04 -0.10613E-03 -0.11385E-03 1537 0.163E-02 0.599E-03
RMM: 23 -0.107540560659E+04 -0.10424E-03 -0.11176E-03 1504 0.156E-02 0.652E-03
RMM: 24 -0.107540570796E+04 -0.10136E-03 -0.10872E-03 1521 0.154E-02 0.701E-03
RMM: 25 -0.107540580546E+04 -0.97502E-04 -0.10435E-03 1457 0.146E-02 0.753E-03
RMM: 26 -0.107540590145E+04 -0.95992E-04 -0.10325E-03 1522 0.159E-02 0.801E-03
RMM: 27 -0.107540599458E+04 -0.93131E-04 -0.10071E-03 1470 0.159E-02 0.853E-03
RMM: 28 -0.107540608749E+04 -0.92911E-04 -0.10090E-03 1554 0.166E-02 0.901E-03
RMM: 29 -0.107540617706E+04 -0.89566E-04 -0.96975E-04 1478 0.157E-02
483 T= 665. E= -.10763670E+04 F= -.10754062E+04 E0= -.10753626E+04 EK= 0.13317E+02 SP= -.14E+02 SK= 0.20E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107534276017E+04 0.63327E-01 -0.13822E+00 3392 0.120E+00 0.395E-01
RMM: 2 -0.107534887931E+04 -0.61191E-02 -0.93650E-02 4205 0.332E-01 0.297E-01
RMM: 3 -0.107534942582E+04 -0.54651E-03 -0.18887E-02 4169 0.119E-01 0.172E-01
RMM: 4 -0.107534991482E+04 -0.48899E-03 -0.63056E-03 3596 0.557E-02 0.950E-02
RMM: 5 -0.107534970614E+04 0.20867E-03 -0.25403E-03 3171 0.285E-02 0.542E-02
RMM: 6 -0.107534978330E+04 -0.77152E-04 -0.15426E-03 2550 0.171E-02 0.240E-02
RMM: 7 -0.107534991365E+04 -0.13035E-03 -0.13751E-03 2125 0.126E-02 0.918E-03
RMM: 8 -0.107535002693E+04 -0.11328E-03 -0.11761E-03 1901 0.933E-03 0.702E-03
RMM: 9 -0.107535013906E+04 -0.11214E-03 -0.11447E-03 1875 0.111E-02 0.463E-03
RMM: 10 -0.107535025600E+04 -0.11693E-03 -0.12582E-03 2266 0.175E-02 0.238E-03
RMM: 11 -0.107535036459E+04 -0.10860E-03 -0.11180E-03 1816 0.105E-02 0.196E-03
RMM: 12 -0.107535047283E+04 -0.10824E-03 -0.11517E-03 1974 0.136E-02 0.264E-03
RMM: 13 -0.107535057707E+04 -0.10424E-03 -0.10831E-03 1576 0.116E-02 0.308E-03
RMM: 14 -0.107535067934E+04 -0.10227E-03 -0.10969E-03 1578 0.150E-02 0.378E-03
RMM: 15 -0.107535078153E+04 -0.10219E-03 -0.11007E-03 1590 0.159E-02 0.433E-03
RMM: 16 -0.107535088207E+04 -0.10053E-03 -0.10838E-03 1580 0.162E-02 0.499E-03
RMM: 17 -0.107535098062E+04 -0.98559E-04 -0.10581E-03 1549 0.162E-02 0.562E-03
RMM: 18 -0.107535107950E+04 -0.98877E-04 -0.10708E-03 1590 0.171E-02 0.628E-03
RMM: 19 -0.107535117510E+04 -0.95597E-04 -0.10254E-03 1493 0.161E-02 0.686E-03
RMM: 20 -0.107535127203E+04 -0.96933E-04 -0.10555E-03 1581 0.172E-02 0.748E-03
RMM: 21 -0.107535136593E+04 -0.93902E-04 -0.10084E-03 1498 0.154E-02 0.808E-03
RMM: 22 -0.107535145904E+04 -0.93109E-04 -0.10118E-03 1557 0.161E-02 0.869E-03
RMM: 23 -0.107535155125E+04 -0.92204E-04 -0.99330E-04 1506 0.157E-02
484 T= 661. E= -.10763513E+04 F= -.10753516E+04 E0= -.10753108E+04 EK= 0.13252E+02 SP= -.14E+02 SK= 0.44E-03
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107551635143E+04 -0.16489E+00 -0.98082E-01 3438 0.100E+00 0.297E-01
RMM: 2 -0.107552135340E+04 -0.50020E-02 -0.67910E-02 4103 0.275E-01 0.233E-01
RMM: 3 -0.107552212320E+04 -0.76980E-03 -0.14145E-02 3956 0.988E-02 0.152E-01
RMM: 4 -0.107552247491E+04 -0.35171E-03 -0.48157E-03 3494 0.479E-02 0.910E-02
RMM: 5 -0.107552225951E+04 0.21540E-03 -0.17782E-03 2940 0.256E-02 0.390E-02
RMM: 6 -0.107552234405E+04 -0.84545E-04 -0.11363E-03 2295 0.152E-02 0.187E-02
RMM: 7 -0.107552242689E+04 -0.82841E-04 -0.96316E-04 2078 0.126E-02
485 T= 669. E= -.10763681E+04 F= -.10755224E+04 E0= -.10754852E+04 EK= 0.13400E+02 SP= -.14E+02 SK= 0.24E-05
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107564837721E+04 -0.12603E+00 -0.10138E+00 3462 0.101E+00 0.319E-01
RMM: 2 -0.107565359273E+04 -0.52155E-02 -0.67950E-02 4097 0.270E-01 0.240E-01
RMM: 3 -0.107565441709E+04 -0.82436E-03 -0.15259E-02 3926 0.999E-02 0.134E-01
RMM: 4 -0.107565475371E+04 -0.33663E-03 -0.47799E-03 3453 0.460E-02 0.607E-02
RMM: 5 -0.107565481259E+04 -0.58877E-04 -0.21788E-03 2860 0.236E-02 0.390E-02
RMM: 6 -0.107565492658E+04 -0.11399E-03 -0.15691E-03 2274 0.154E-02 0.150E-02
RMM: 7 -0.107565506044E+04 -0.13386E-03 -0.13909E-03 2138 0.138E-02 0.923E-03
RMM: 8 -0.107565518248E+04 -0.12204E-03 -0.12762E-03 1986 0.105E-02 0.541E-03
RMM: 9 -0.107565529646E+04 -0.11399E-03 -0.11418E-03 1875 0.115E-02 0.277E-03
RMM: 10 -0.107565541450E+04 -0.11803E-03 -0.12364E-03 2191 0.162E-02 0.195E-03
RMM: 11 -0.107565551704E+04 -0.10254E-03 -0.10584E-03 1764 0.110E-02 0.192E-03
RMM: 12 -0.107565562003E+04 -0.10300E-03 -0.10978E-03 1966 0.138E-02 0.222E-03
RMM: 13 -0.107565571202E+04 -0.91988E-04 -0.96621E-04 1622 0.115E-02
486 T= 675. E= -.10763931E+04 F= -.10756557E+04 E0= -.10756206E+04 EK= 0.13517E+02 SP= -.14E+02 SK= 0.40E-03
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107543421507E+04 0.22140E+00 -0.11823E+00 3385 0.111E+00 0.319E-01
RMM: 2 -0.107544031093E+04 -0.60959E-02 -0.77159E-02 4156 0.307E-01 0.237E-01
RMM: 3 -0.107544124491E+04 -0.93399E-03 -0.15713E-02 4048 0.110E-01 0.142E-01
RMM: 4 -0.107544156230E+04 -0.31738E-03 -0.44927E-03 3566 0.507E-02 0.723E-02
RMM: 5 -0.107544145641E+04 0.10588E-03 -0.16658E-03 2926 0.257E-02 0.349E-02
RMM: 6 -0.107544152645E+04 -0.70034E-04 -0.10323E-03 2185 0.156E-02 0.175E-02
RMM: 7 -0.107544160824E+04 -0.81790E-04 -0.92057E-04 2125 0.143E-02
487 T= 666. E= -.10763805E+04 F= -.10754416E+04 E0= -.10754064E+04 EK= 0.13338E+02 SP= -.14E+02 SK= 0.16E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107508031557E+04 0.36121E+00 -0.15976E+00 3402 0.128E+00 0.391E-01
RMM: 2 -0.107508754601E+04 -0.72304E-02 -0.10237E-01 4167 0.364E-01 0.291E-01
RMM: 3 -0.107508809291E+04 -0.54689E-03 -0.19270E-02 4062 0.134E-01 0.149E-01
RMM: 4 -0.107508861810E+04 -0.52519E-03 -0.65055E-03 3882 0.636E-02 0.855E-02
RMM: 5 -0.107508851070E+04 0.10739E-03 -0.18740E-03 2970 0.277E-02 0.596E-02
RMM: 6 -0.107508859034E+04 -0.79634E-04 -0.14844E-03 2820 0.209E-02 0.209E-02
RMM: 7 -0.107508867288E+04 -0.82538E-04 -0.10130E-03 2049 0.138E-02 0.130E-02
RMM: 8 -0.107508875746E+04 -0.84587E-04 -0.96558E-04 2044 0.126E-02
488 T= 652. E= -.10763512E+04 F= -.10750888E+04 E0= -.10750522E+04 EK= 0.13054E+02 SP= -.14E+02 SK= 0.43E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107499429045E+04 0.94382E-01 -0.13276E+00 3421 0.117E+00 0.365E-01
RMM: 2 -0.107500090169E+04 -0.66112E-02 -0.85664E-02 4138 0.321E-01 0.272E-01
RMM: 3 -0.107500172946E+04 -0.82777E-03 -0.18259E-02 3920 0.123E-01 0.140E-01
RMM: 4 -0.107500218283E+04 -0.45338E-03 -0.57606E-03 3741 0.577E-02 0.731E-02
RMM: 5 -0.107500221211E+04 -0.29277E-04 -0.22480E-03 2937 0.266E-02 0.509E-02
RMM: 6 -0.107500232162E+04 -0.10951E-03 -0.16784E-03 2457 0.180E-02 0.175E-02
RMM: 7 -0.107500246145E+04 -0.13983E-03 -0.14382E-03 2010 0.131E-02 0.107E-02
RMM: 8 -0.107500258655E+04 -0.12510E-03 -0.13179E-03 1963 0.115E-02 0.753E-03
RMM: 9 -0.107500271009E+04 -0.12354E-03 -0.12536E-03 1929 0.126E-02 0.320E-03
RMM: 10 -0.107500283374E+04 -0.12365E-03 -0.13161E-03 2193 0.174E-02 0.175E-03
RMM: 11 -0.107500294788E+04 -0.11414E-03 -0.11799E-03 1825 0.122E-02 0.160E-03
RMM: 12 -0.107500306106E+04 -0.11319E-03 -0.11959E-03 1989 0.140E-02 0.183E-03
RMM: 13 -0.107500316469E+04 -0.10363E-03 -0.10840E-03 1677 0.122E-02 0.202E-03
RMM: 14 -0.107500326825E+04 -0.10355E-03 -0.11122E-03 1716 0.152E-02 0.278E-03
RMM: 15 -0.107500336547E+04 -0.97225E-04 -0.10400E-03 1536 0.143E-02 0.318E-03
RMM: 16 -0.107500346267E+04 -0.97198E-04 -0.10553E-03 1638 0.167E-02 0.374E-03
RMM: 17 -0.107500355443E+04 -0.91755E-04 -0.99332E-04 1527 0.156E-02
489 T= 650. E= -.10763682E+04 F= -.10750036E+04 E0= -.10749644E+04 EK= 0.13015E+02 SP= -.14E+02 SK= 0.94E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107504869514E+04 -0.45232E-01 -0.11118E+00 3416 0.108E+00 0.324E-01
RMM: 2 -0.107505433284E+04 -0.56377E-02 -0.72908E-02 4132 0.289E-01 0.242E-01
RMM: 3 -0.107505539788E+04 -0.10650E-02 -0.16519E-02 3956 0.108E-01 0.141E-01
RMM: 4 -0.107505571837E+04 -0.32049E-03 -0.44950E-03 3582 0.490E-02 0.622E-02
RMM: 5 -0.107505576031E+04 -0.41941E-04 -0.20209E-03 2789 0.244E-02 0.405E-02
RMM: 6 -0.107505583093E+04 -0.70618E-04 -0.12538E-03 2185 0.158E-02 0.181E-02
RMM: 7 -0.107505594574E+04 -0.11481E-03 -0.12385E-03 2083 0.148E-02 0.789E-03
RMM: 8 -0.107505604178E+04 -0.96037E-04 -0.10150E-03 1959 0.113E-02 0.543E-03
RMM: 9 -0.107505613636E+04 -0.94578E-04 -0.99011E-04 1814 0.115E-02
490 T= 656. E= -.10763831E+04 F= -.10750561E+04 E0= -.10750151E+04 EK= 0.13140E+02 SP= -.14E+02 SK= 0.16E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107505312849E+04 0.29133E-02 -0.13261E+00 3421 0.117E+00 0.368E-01
RMM: 2 -0.107505970464E+04 -0.65762E-02 -0.93706E-02 4196 0.325E-01 0.278E-01
RMM: 3 -0.107506083960E+04 -0.11350E-02 -0.21192E-02 4189 0.119E-01 0.199E-01
RMM: 4 -0.107506114217E+04 -0.30256E-03 -0.77059E-03 3651 0.561E-02 0.109E-01
RMM: 5 -0.107506113570E+04 0.64679E-05 -0.34605E-03 3136 0.295E-02 0.493E-02
RMM: 6 -0.107506133686E+04 -0.20117E-03 -0.26111E-03 2383 0.170E-02 0.266E-02
RMM: 7 -0.107506155323E+04 -0.21637E-03 -0.22642E-03 2085 0.132E-02 0.126E-02
RMM: 8 -0.107506176324E+04 -0.21001E-03 -0.22019E-03 1960 0.107E-02 0.713E-03
RMM: 9 -0.107506195724E+04 -0.19400E-03 -0.19750E-03 1855 0.113E-02 0.426E-03
RMM: 10 -0.107506216210E+04 -0.20485E-03 -0.21266E-03 2110 0.162E-02 0.201E-03
RMM: 11 -0.107506234519E+04 -0.18309E-03 -0.18713E-03 1866 0.116E-02 0.194E-03
RMM: 12 -0.107506253121E+04 -0.18602E-03 -0.19197E-03 1855 0.126E-02 0.268E-03
RMM: 13 -0.107506270074E+04 -0.16953E-03 -0.17390E-03 1576 0.119E-02 0.368E-03
RMM: 14 -0.107506287210E+04 -0.17136E-03 -0.17894E-03 1577 0.146E-02 0.441E-03
RMM: 15 -0.107506303021E+04 -0.15811E-03 -0.16542E-03 1478 0.145E-02 0.537E-03
RMM: 16 -0.107506319037E+04 -0.16015E-03 -0.16792E-03 1524 0.162E-02 0.632E-03
RMM: 17 -0.107506333842E+04 -0.14805E-03 -0.15632E-03 1515 0.164E-02 0.720E-03
RMM: 18 -0.107506348896E+04 -0.15054E-03 -0.15823E-03 1564 0.166E-02 0.805E-03
RMM: 19 -0.107506362791E+04 -0.13895E-03 -0.14516E-03 1418 0.148E-02 0.879E-03
RMM: 20 -0.107506376691E+04 -0.13900E-03 -0.14625E-03 1466 0.159E-02 0.951E-03
RMM: 21 -0.107506389851E+04 -0.13161E-03 -0.13879E-03 1461 0.158E-02 0.103E-02
RMM: 22 -0.107506402861E+04 -0.13009E-03 -0.13732E-03 1474 0.154E-02 0.110E-02
RMM: 23 -0.107506415095E+04 -0.12234E-03 -0.12880E-03 1436 0.148E-02 0.118E-02
RMM: 24 -0.107506427317E+04 -0.12222E-03 -0.12970E-03 1496 0.158E-02 0.125E-02
RMM: 25 -0.107506438765E+04 -0.11448E-03 -0.12154E-03 1430 0.152E-02 0.132E-02
RMM: 26 -0.107506450205E+04 -0.11440E-03 -0.12193E-03 1470 0.159E-02 0.139E-02
RMM: 27 -0.107506461108E+04 -0.10902E-03 -0.11633E-03 1458 0.155E-02 0.145E-02
RMM: 28 -0.107506471761E+04 -0.10653E-03 -0.11387E-03 1443 0.152E-02 0.152E-02
RMM: 29 -0.107506481920E+04 -0.10159E-03 -0.10881E-03 1440 0.156E-02 0.159E-02
RMM: 30 -0.107506491937E+04 -0.10017E-03 -0.10773E-03 1453 0.161E-02 0.165E-02
RMM: 31 -0.107506501596E+04 -0.96591E-04 -0.10395E-03 1459 0.161E-02 0.171E-02
RMM: 32 -0.107506511124E+04 -0.95279E-04 -0.10271E-03 1467 0.159E-02 0.177E-02
RMM: 33 -0.107506520195E+04 -0.90712E-04 -0.97903E-04 1443 0.152E-02
491 T= 662. E= -.10763788E+04 F= -.10750652E+04 E0= -.10750231E+04 EK= 0.13263E+02 SP= -.15E+02 SK= 0.23E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107510120199E+04 -0.36091E-01 -0.12686E+00 3411 0.117E+00 0.317E-01
RMM: 2 -0.107510763420E+04 -0.64322E-02 -0.85762E-02 4208 0.327E-01 0.238E-01
RMM: 3 -0.107510869795E+04 -0.10638E-02 -0.16764E-02 4150 0.116E-01 0.168E-01
RMM: 4 -0.107510889919E+04 -0.20124E-03 -0.51573E-03 3534 0.552E-02 0.669E-02
RMM: 5 -0.107510895926E+04 -0.60068E-04 -0.23457E-03 3250 0.298E-02 0.444E-02
RMM: 6 -0.107510899180E+04 -0.32543E-04 -0.12436E-03 2239 0.166E-02 0.275E-02
RMM: 7 -0.107510909771E+04 -0.10591E-03 -0.12752E-03 2453 0.157E-02 0.124E-02
RMM: 8 -0.107510918847E+04 -0.90755E-04 -0.99233E-04 1893 0.103E-02
492 T= 671. E= -.10763704E+04 F= -.10751092E+04 E0= -.10750674E+04 EK= 0.13446E+02 SP= -.15E+02 SK= 0.30E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107531893434E+04 -0.20984E+00 -0.14373E+00 3408 0.120E+00 0.399E-01
RMM: 2 -0.107532506021E+04 -0.61259E-02 -0.92552E-02 4219 0.325E-01 0.288E-01
RMM: 3 -0.107532620753E+04 -0.11473E-02 -0.20808E-02 4147 0.123E-01 0.181E-01
RMM: 4 -0.107532670074E+04 -0.49321E-03 -0.84110E-03 3807 0.592E-02 0.105E-01
RMM: 5 -0.107532668000E+04 0.20739E-04 -0.36191E-03 3067 0.282E-02 0.525E-02
RMM: 6 -0.107532693380E+04 -0.25380E-03 -0.30434E-03 2613 0.180E-02 0.238E-02
RMM: 7 -0.107532716575E+04 -0.23194E-03 -0.24868E-03 2089 0.128E-02 0.122E-02
RMM: 8 -0.107532739417E+04 -0.22843E-03 -0.23775E-03 2028 0.117E-02 0.821E-03
RMM: 9 -0.107532760416E+04 -0.20999E-03 -0.21370E-03 1983 0.119E-02 0.506E-03
RMM: 10 -0.107532781428E+04 -0.21012E-03 -0.21642E-03 2099 0.149E-02 0.241E-03
RMM: 11 -0.107532799966E+04 -0.18539E-03 -0.18942E-03 1838 0.114E-02 0.218E-03
RMM: 12 -0.107532818228E+04 -0.18261E-03 -0.18863E-03 1905 0.129E-02 0.266E-03
RMM: 13 -0.107532834508E+04 -0.16280E-03 -0.16876E-03 1713 0.128E-02 0.395E-03
RMM: 14 -0.107532850572E+04 -0.16064E-03 -0.16777E-03 1666 0.147E-02 0.331E-03
RMM: 15 -0.107532864917E+04 -0.14345E-03 -0.15029E-03 1660 0.149E-02 0.258E-03
RMM: 16 -0.107532879279E+04 -0.14362E-03 -0.15377E-03 1768 0.178E-02 0.273E-03
RMM: 17 -0.107532892031E+04 -0.12751E-03 -0.13460E-03 1508 0.152E-02 0.312E-03
RMM: 18 -0.107532904772E+04 -0.12742E-03 -0.13698E-03 1650 0.181E-02 0.392E-03
RMM: 19 -0.107532916377E+04 -0.11604E-03 -0.12370E-03 1543 0.159E-02 0.451E-03
RMM: 20 -0.107532927710E+04 -0.11333E-03 -0.12101E-03 1557 0.155E-02 0.512E-03
RMM: 21 -0.107532937825E+04 -0.10116E-03 -0.10814E-03 1454 0.150E-02 0.580E-03
RMM: 22 -0.107532947884E+04 -0.10059E-03 -0.10892E-03 1562 0.166E-02 0.642E-03
RMM: 23 -0.107532957163E+04 -0.92790E-04 -0.10054E-03 1533 0.158E-02 0.702E-03
RMM: 24 -0.107532966113E+04 -0.89497E-04 -0.97207E-04 1529 0.153E-02
493 T= 689. E= -.10763824E+04 F= -.10753297E+04 E0= -.10752894E+04 EK= 0.13803E+02 SP= -.15E+02 SK= 0.35E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107560331187E+04 -0.27374E+00 -0.10835E+00 3406 0.108E+00 0.286E-01
RMM: 2 -0.107560857628E+04 -0.52644E-02 -0.68988E-02 4109 0.293E-01 0.215E-01
RMM: 3 -0.107560927975E+04 -0.70347E-03 -0.13186E-02 4049 0.105E-01 0.144E-01
RMM: 4 -0.107560954688E+04 -0.26713E-03 -0.47486E-03 3577 0.504E-02 0.791E-02
RMM: 5 -0.107560948423E+04 0.62654E-04 -0.18279E-03 3038 0.264E-02 0.394E-02
RMM: 6 -0.107560955843E+04 -0.74204E-04 -0.10904E-03 2255 0.159E-02 0.213E-02
RMM: 7 -0.107560965204E+04 -0.93613E-04 -0.96680E-04 2097 0.137E-02
494 T= 710. E= -.10763965E+04 F= -.10756097E+04 E0= -.10755714E+04 EK= 0.14228E+02 SP= -.15E+02 SK= 0.36E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107578583682E+04 -0.17628E+00 -0.13533E+00 3408 0.119E+00 0.370E-01
RMM: 2 -0.107579199984E+04 -0.61630E-02 -0.87059E-02 4154 0.324E-01 0.279E-01
RMM: 3 -0.107579266768E+04 -0.66784E-03 -0.18681E-02 4090 0.117E-01 0.152E-01
RMM: 4 -0.107579317863E+04 -0.51095E-03 -0.65184E-03 3666 0.547E-02 0.835E-02
RMM: 5 -0.107579314096E+04 0.37674E-04 -0.26117E-03 2996 0.261E-02 0.530E-02
RMM: 6 -0.107579330899E+04 -0.16803E-03 -0.21505E-03 2677 0.185E-02 0.162E-02
RMM: 7 -0.107579346649E+04 -0.15750E-03 -0.16814E-03 2020 0.124E-02 0.107E-02
RMM: 8 -0.107579362137E+04 -0.15487E-03 -0.16239E-03 2068 0.120E-02 0.764E-03
RMM: 9 -0.107579377035E+04 -0.14898E-03 -0.15078E-03 1959 0.111E-02 0.474E-03
RMM: 10 -0.107579391381E+04 -0.14347E-03 -0.14766E-03 2006 0.123E-02 0.173E-03
RMM: 11 -0.107579404498E+04 -0.13116E-03 -0.13461E-03 1849 0.113E-02 0.165E-03
RMM: 12 -0.107579417415E+04 -0.12918E-03 -0.13619E-03 2017 0.144E-02 0.200E-03
RMM: 13 -0.107579429443E+04 -0.12027E-03 -0.12662E-03 1696 0.131E-02 0.291E-03
RMM: 14 -0.107579441185E+04 -0.11742E-03 -0.12416E-03 1643 0.149E-02 0.296E-03
RMM: 15 -0.107579452236E+04 -0.11051E-03 -0.11736E-03 1551 0.148E-02 0.313E-03
RMM: 16 -0.107579463015E+04 -0.10779E-03 -0.11554E-03 1609 0.158E-02 0.326E-03
RMM: 17 -0.107579473079E+04 -0.10064E-03 -0.10744E-03 1537 0.153E-02 0.335E-03
RMM: 18 -0.107579483205E+04 -0.10125E-03 -0.11005E-03 1621 0.174E-02 0.370E-03
RMM: 19 -0.107579492725E+04 -0.95208E-04 -0.10252E-03 1492 0.152E-02 0.424E-03
RMM: 20 -0.107579502006E+04 -0.92809E-04 -0.10062E-03 1553 0.154E-02 0.476E-03
RMM: 21 -0.107579510823E+04 -0.88165E-04 -0.94797E-04 1465 0.147E-02
495 T= 728. E= -.10763867E+04 F= -.10757951E+04 E0= -.10757579E+04 EK= 0.14584E+02 SP= -.15E+02 SK= 0.33E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107599054812E+04 -0.19553E+00 -0.12786E+00 3373 0.116E+00 0.335E-01
RMM: 2 -0.107599702201E+04 -0.64739E-02 -0.85208E-02 4134 0.318E-01 0.256E-01
RMM: 3 -0.107599797326E+04 -0.95124E-03 -0.17921E-02 4071 0.115E-01 0.161E-01
RMM: 4 -0.107599812452E+04 -0.15127E-03 -0.47045E-03 3501 0.530E-02 0.547E-02
RMM: 5 -0.107599826693E+04 -0.14240E-03 -0.21182E-03 3091 0.268E-02 0.407E-02
RMM: 6 -0.107599832521E+04 -0.58286E-04 -0.12446E-03 2074 0.157E-02 0.230E-02
RMM: 7 -0.107599844039E+04 -0.11518E-03 -0.12512E-03 2287 0.159E-02 0.961E-03
RMM: 8 -0.107599853934E+04 -0.98948E-04 -0.10438E-03 1835 0.966E-03 0.694E-03
RMM: 9 -0.107599862776E+04 -0.88426E-04 -0.92914E-04 1792 0.111E-02
496 T= 746. E= -.10763886E+04 F= -.10759986E+04 E0= -.10759623E+04 EK= 0.14937E+02 SP= -.15E+02 SK= 0.26E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107619975803E+04 -0.20122E+00 -0.11636E+00 3421 0.112E+00 0.314E-01
RMM: 2 -0.107620595934E+04 -0.62013E-02 -0.80197E-02 4113 0.307E-01 0.243E-01
RMM: 3 -0.107620691734E+04 -0.95800E-03 -0.16134E-02 3950 0.108E-01 0.147E-01
RMM: 4 -0.107620720382E+04 -0.28648E-03 -0.51002E-03 3473 0.501E-02 0.506E-02
RMM: 5 -0.107620740237E+04 -0.19855E-03 -0.26175E-03 2966 0.254E-02 0.375E-02
RMM: 6 -0.107620753183E+04 -0.12947E-03 -0.18687E-03 2054 0.158E-02 0.184E-02
RMM: 7 -0.107620769985E+04 -0.16802E-03 -0.17965E-03 2276 0.165E-02 0.747E-03
RMM: 8 -0.107620785694E+04 -0.15709E-03 -0.16100E-03 1891 0.993E-03 0.561E-03
RMM: 9 -0.107620799703E+04 -0.14009E-03 -0.14378E-03 1848 0.109E-02 0.437E-03
RMM: 10 -0.107620813830E+04 -0.14127E-03 -0.14861E-03 2191 0.165E-02 0.255E-03
RMM: 11 -0.107620826400E+04 -0.12570E-03 -0.13173E-03 1839 0.130E-02 0.203E-03
RMM: 12 -0.107620838747E+04 -0.12347E-03 -0.13036E-03 1911 0.145E-02 0.270E-03
RMM: 13 -0.107620850140E+04 -0.11393E-03 -0.12094E-03 1762 0.146E-02 0.325E-03
RMM: 14 -0.107620861203E+04 -0.11063E-03 -0.11794E-03 1643 0.152E-02 0.396E-03
RMM: 15 -0.107620871521E+04 -0.10318E-03 -0.11207E-03 1582 0.161E-02 0.465E-03
RMM: 16 -0.107620881357E+04 -0.98363E-04 -0.10690E-03 1544 0.157E-02 0.517E-03
RMM: 17 -0.107620890517E+04 -0.91602E-04 -0.10004E-03 1576 0.167E-02 0.568E-03
RMM: 18 -0.107620899526E+04 -0.90084E-04 -0.98209E-04 1569 0.171E-02
497 T= 762. E= -.10763993E+04 F= -.10762090E+04 E0= -.10761731E+04 EK= 0.15269E+02 SP= -.15E+02 SK= 0.17E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107630663610E+04 -0.97731E-01 -0.13420E+00 3421 0.117E+00 0.376E-01
RMM: 2 -0.107631279260E+04 -0.61565E-02 -0.89804E-02 4139 0.321E-01 0.278E-01
RMM: 3 -0.107631361618E+04 -0.82358E-03 -0.19082E-02 3988 0.117E-01 0.147E-01
RMM: 4 -0.107631410834E+04 -0.49216E-03 -0.62708E-03 3677 0.539E-02 0.846E-02
RMM: 5 -0.107631405955E+04 0.48793E-04 -0.24939E-03 2893 0.258E-02 0.466E-02
RMM: 6 -0.107631422692E+04 -0.16737E-03 -0.19787E-03 2513 0.175E-02 0.145E-02
RMM: 7 -0.107631438763E+04 -0.16071E-03 -0.16820E-03 1983 0.120E-02 0.110E-02
RMM: 8 -0.107631453715E+04 -0.14953E-03 -0.15665E-03 1958 0.113E-02 0.739E-03
RMM: 9 -0.107631468135E+04 -0.14420E-03 -0.14853E-03 1898 0.119E-02 0.393E-03
RMM: 10 -0.107631482456E+04 -0.14321E-03 -0.15069E-03 2116 0.149E-02 0.225E-03
RMM: 11 -0.107631495630E+04 -0.13174E-03 -0.13465E-03 1749 0.103E-02 0.199E-03
RMM: 12 -0.107631508529E+04 -0.12899E-03 -0.13515E-03 1936 0.135E-02 0.178E-03
RMM: 13 -0.107631520628E+04 -0.12099E-03 -0.12679E-03 1637 0.125E-02 0.139E-03
RMM: 14 -0.107631532384E+04 -0.11756E-03 -0.12429E-03 1695 0.144E-02 0.125E-03
RMM: 15 -0.107631543614E+04 -0.11231E-03 -0.11958E-03 1532 0.143E-02 0.122E-03
RMM: 16 -0.107631554449E+04 -0.10835E-03 -0.11576E-03 1558 0.155E-02 0.154E-03
RMM: 17 -0.107631564859E+04 -0.10410E-03 -0.11169E-03 1554 0.161E-02 0.266E-03
RMM: 18 -0.107631575190E+04 -0.10331E-03 -0.11133E-03 1588 0.163E-02 0.217E-03
RMM: 19 -0.107631584873E+04 -0.96826E-04 -0.10382E-03 1549 0.147E-02 0.194E-03
RMM: 20 -0.107631594374E+04 -0.95018E-04 -0.10218E-03 1605 0.156E-02 0.182E-03
RMM: 21 -0.107631603519E+04 -0.91441E-04 -0.98175E-04 1534 0.147E-02
498 T= 772. E= -.10764033E+04 F= -.10763160E+04 E0= -.10762797E+04 EK= 0.15475E+02 SP= -.16E+02 SK= 0.86E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107628531639E+04 0.30627E-01 -0.14253E+00 3392 0.123E+00 0.364E-01
RMM: 2 -0.107629202439E+04 -0.67080E-02 -0.94609E-02 4171 0.336E-01 0.281E-01
RMM: 3 -0.107629285119E+04 -0.82680E-03 -0.19553E-02 4061 0.120E-01 0.167E-01
RMM: 4 -0.107629337923E+04 -0.52805E-03 -0.67786E-03 3645 0.578E-02 0.956E-02
RMM: 5 -0.107629316178E+04 0.21745E-03 -0.27353E-03 3092 0.287E-02 0.506E-02
RMM: 6 -0.107629330455E+04 -0.14276E-03 -0.19287E-03 2577 0.174E-02 0.194E-02
RMM: 7 -0.107629345927E+04 -0.15472E-03 -0.16128E-03 1992 0.120E-02 0.885E-03
RMM: 8 -0.107629360156E+04 -0.14229E-03 -0.14748E-03 1959 0.107E-02 0.680E-03
RMM: 9 -0.107629373711E+04 -0.13555E-03 -0.13874E-03 1844 0.102E-02 0.325E-03
RMM: 10 -0.107629386929E+04 -0.13218E-03 -0.13967E-03 2170 0.150E-02 0.168E-03
RMM: 11 -0.107629399293E+04 -0.12364E-03 -0.12798E-03 1784 0.113E-02 0.163E-03
RMM: 12 -0.107629411256E+04 -0.11962E-03 -0.12715E-03 1999 0.141E-02 0.209E-03
RMM: 13 -0.107629422588E+04 -0.11332E-03 -0.11916E-03 1591 0.123E-02 0.306E-03
RMM: 14 -0.107629433236E+04 -0.10649E-03 -0.11449E-03 1630 0.144E-02 0.288E-03
RMM: 15 -0.107629443486E+04 -0.10249E-03 -0.10980E-03 1545 0.147E-02 0.293E-03
RMM: 16 -0.107629453423E+04 -0.99375E-04 -0.10808E-03 1664 0.168E-02 0.301E-03
RMM: 17 -0.107629462886E+04 -0.94631E-04 -0.10203E-03 1554 0.159E-02 0.328E-03
RMM: 18 -0.107629472178E+04 -0.92919E-04 -0.10165E-03 1618 0.170E-02 0.363E-03
RMM: 19 -0.107629480840E+04 -0.86616E-04 -0.93695E-04 1464 0.151E-02
499 T= 775. E= -.10764038E+04 F= -.10762948E+04 E0= -.10762573E+04 EK= 0.15519E+02 SP= -.16E+02 SK= 0.26E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107616770479E+04 0.12702E+00 -0.14594E+00 3390 0.121E+00 0.402E-01
RMM: 2 -0.107617400582E+04 -0.63010E-02 -0.96756E-02 4149 0.331E-01 0.303E-01
RMM: 3 -0.107617449504E+04 -0.48922E-03 -0.20325E-02 3995 0.121E-01 0.160E-01
RMM: 4 -0.107617501323E+04 -0.51819E-03 -0.66898E-03 3703 0.573E-02 0.914E-02
RMM: 5 -0.107617496440E+04 0.48831E-04 -0.26027E-03 2996 0.272E-02 0.622E-02
RMM: 6 -0.107617508560E+04 -0.12120E-03 -0.19365E-03 2768 0.195E-02 0.218E-02
RMM: 7 -0.107617522589E+04 -0.14029E-03 -0.15707E-03 1981 0.123E-02 0.116E-02
RMM: 8 -0.107617536334E+04 -0.13745E-03 -0.14383E-03 2019 0.116E-02 0.973E-03
RMM: 9 -0.107617549512E+04 -0.13177E-03 -0.13611E-03 1842 0.984E-03 0.645E-03
RMM: 10 -0.107617561908E+04 -0.12396E-03 -0.13005E-03 1925 0.117E-02 0.249E-03
RMM: 11 -0.107617574055E+04 -0.12147E-03 -0.12666E-03 1879 0.118E-02 0.194E-03
RMM: 12 -0.107617585580E+04 -0.11525E-03 -0.12219E-03 1877 0.128E-02 0.138E-03
RMM: 13 -0.107617596551E+04 -0.10971E-03 -0.11571E-03 1658 0.117E-02 0.109E-03
RMM: 14 -0.107617606907E+04 -0.10355E-03 -0.10989E-03 1526 0.130E-02 0.122E-03
RMM: 15 -0.107617617089E+04 -0.10183E-03 -0.10996E-03 1524 0.150E-02 0.199E-03
RMM: 16 -0.107617626820E+04 -0.97306E-04 -0.10610E-03 1591 0.159E-02 0.257E-03
RMM: 17 -0.107617636169E+04 -0.93493E-04 -0.10049E-03 1453 0.146E-02 0.330E-03
RMM: 18 -0.107617645154E+04 -0.89854E-04 -0.96975E-04 1508 0.152E-02
500 T= 770. E= -.10764065E+04 F= -.10761765E+04 E0= -.10761375E+04 EK= 0.15425E+02 SP= -.16E+02 SK= 0.94E-04
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107594524939E+04 0.23111E+00 -0.12409E+00 3386 0.113E+00 0.343E-01
RMM: 2 -0.107595129877E+04 -0.60494E-02 -0.83090E-02 4121 0.304E-01 0.265E-01
RMM: 3 -0.107595222292E+04 -0.92415E-03 -0.18670E-02 3935 0.108E-01 0.153E-01
RMM: 4 -0.107595269439E+04 -0.47147E-03 -0.64597E-03 3469 0.507E-02 0.690E-02
RMM: 5 -0.107595286084E+04 -0.16645E-03 -0.36021E-03 2966 0.260E-02 0.482E-02
RMM: 6 -0.107595305699E+04 -0.19614E-03 -0.26212E-03 2264 0.163E-02 0.193E-02
RMM: 7 -0.107595330379E+04 -0.24681E-03 -0.25643E-03 2076 0.139E-02 0.756E-03
RMM: 8 -0.107595352843E+04 -0.22463E-03 -0.22830E-03 1933 0.104E-02 0.564E-03
RMM: 9 -0.107595374647E+04 -0.21804E-03 -0.22180E-03 1874 0.109E-02 0.345E-03
RMM: 10 -0.107595395221E+04 -0.20574E-03 -0.21409E-03 2150 0.158E-02 0.192E-03
RMM: 11 -0.107595415319E+04 -0.20098E-03 -0.20704E-03 1907 0.133E-02 0.221E-03
RMM: 12 -0.107595434298E+04 -0.18980E-03 -0.19810E-03 1964 0.147E-02 0.310E-03
RMM: 13 -0.107595452611E+04 -0.18313E-03 -0.18916E-03 1595 0.128E-02 0.382E-03
RMM: 14 -0.107595469944E+04 -0.17332E-03 -0.18141E-03 1641 0.156E-02 0.478E-03
RMM: 15 -0.107595486891E+04 -0.16948E-03 -0.17807E-03 1600 0.160E-02 0.556E-03
RMM: 16 -0.107595503136E+04 -0.16245E-03 -0.17079E-03 1630 0.165E-02 0.634E-03
RMM: 17 -0.107595518790E+04 -0.15654E-03 -0.16481E-03 1536 0.155E-02 0.717E-03
RMM: 18 -0.107595533687E+04 -0.14897E-03 -0.15640E-03 1525 0.157E-02 0.800E-03
RMM: 19 -0.107595548199E+04 -0.14512E-03 -0.15322E-03 1541 0.161E-02 0.871E-03
RMM: 20 -0.107595562153E+04 -0.13954E-03 -0.14832E-03 1610 0.166E-02 0.939E-03
RMM: 21 -0.107595575571E+04 -0.13417E-03 -0.14215E-03 1609 0.151E-02 0.980E-03
RMM: 22 -0.107595588361E+04 -0.12791E-03 -0.13662E-03 1749 0.158E-02 0.101E-02
RMM: 23 -0.107595601012E+04 -0.12651E-03 -0.13520E-03 1651 0.159E-02 0.106E-02
RMM: 24 -0.107595613030E+04 -0.12018E-03 -0.12850E-03 1532 0.149E-02 0.112E-02
RMM: 25 -0.107595624642E+04 -0.11612E-03 -0.12375E-03 1554 0.146E-02 0.118E-02
RMM: 26 -0.107595635703E+04 -0.11061E-03 -0.11845E-03 1514 0.151E-02 0.124E-02
RMM: 27 -0.107595646714E+04 -0.11011E-03 -0.11815E-03 1528 0.156E-02 0.131E-02
RMM: 28 -0.107595656994E+04 -0.10281E-03 -0.11020E-03 1469 0.144E-02 0.137E-02
RMM: 29 -0.107595667077E+04 -0.10083E-03 -0.10846E-03 1506 0.153E-02 0.143E-02
RMM: 30 -0.107595676780E+04 -0.97027E-04 -0.10470E-03 1511 0.154E-02 0.149E-02
RMM: 31 -0.107595686245E+04 -0.94659E-04 -0.10269E-03 1489 0.156E-02 0.155E-02
RMM: 32 -0.107595695270E+04 -0.90247E-04 -0.97507E-04 1464 0.153E-02
501 T= 759. E= -.10764030E+04 F= -.10759570E+04 E0= -.10759170E+04 EK= 0.15200E+02 SP= -.16E+02 SK= 0.71E-03
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107566632625E+04 0.29054E+00 -0.13145E+00 3377 0.118E+00 0.364E-01
RMM: 2 -0.107567243204E+04 -0.61058E-02 -0.87862E-02 4125 0.320E-01 0.275E-01
RMM: 3 -0.107567330902E+04 -0.87698E-03 -0.18728E-02 3983 0.114E-01 0.162E-01
RMM: 4 -0.107567358513E+04 -0.27611E-03 -0.53517E-03 3420 0.530E-02 0.628E-02
RMM: 5 -0.107567371689E+04 -0.13176E-03 -0.26726E-03 3188 0.275E-02 0.497E-02
RMM: 6 -0.107567377851E+04 -0.61616E-04 -0.15052E-03 2260 0.161E-02 0.241E-02
RMM: 7 -0.107567392630E+04 -0.14779E-03 -0.16183E-03 2206 0.146E-02 0.896E-03
RMM: 8 -0.107567404581E+04 -0.11951E-03 -0.12489E-03 1882 0.966E-03 0.621E-03
RMM: 9 -0.107567417035E+04 -0.12454E-03 -0.12937E-03 1894 0.116E-02 0.514E-03
RMM: 10 -0.107567428783E+04 -0.11748E-03 -0.12795E-03 2295 0.179E-02 0.346E-03
RMM: 11 -0.107567440377E+04 -0.11595E-03 -0.12019E-03 1787 0.106E-02 0.222E-03
RMM: 12 -0.107567451050E+04 -0.10673E-03 -0.11338E-03 2055 0.138E-02 0.281E-03
RMM: 13 -0.107567461872E+04 -0.10822E-03 -0.11359E-03 1597 0.121E-02 0.333E-03
RMM: 14 -0.107567471528E+04 -0.96551E-04 -0.10332E-03 1506 0.143E-02 0.381E-03
RMM: 15 -0.107567481814E+04 -0.10286E-03 -0.11275E-03 1667 0.175E-02 0.439E-03
RMM: 16 -0.107567491028E+04 -0.92140E-04 -0.99360E-04 1522 0.151E-02
502 T= 743. E= -.10763922E+04 F= -.10756749E+04 E0= -.10756350E+04 EK= 0.14890E+02 SP= -.16E+02 SK= 0.30E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107544751242E+04 0.22731E+00 -0.12457E+00 3416 0.120E+00 0.299E-01
RMM: 2 -0.107545445775E+04 -0.69453E-02 -0.89084E-02 4216 0.340E-01 0.225E-01
RMM: 3 -0.107545579585E+04 -0.13381E-02 -0.18633E-02 4113 0.118E-01 0.178E-01
RMM: 4 -0.107545596780E+04 -0.17195E-03 -0.58959E-03 3648 0.529E-02 0.110E-01
RMM: 5 -0.107545602946E+04 -0.61665E-04 -0.36987E-03 3086 0.324E-02 0.352E-02
RMM: 6 -0.107545621286E+04 -0.18339E-03 -0.22269E-03 2444 0.172E-02 0.236E-02
RMM: 7 -0.107545640322E+04 -0.19036E-03 -0.20799E-03 2012 0.117E-02 0.138E-02
RMM: 8 -0.107545658143E+04 -0.17821E-03 -0.18764E-03 1953 0.105E-02 0.679E-03
RMM: 9 -0.107545675812E+04 -0.17669E-03 -0.18116E-03 1844 0.961E-03 0.414E-03
RMM: 10 -0.107545692578E+04 -0.16766E-03 -0.17237E-03 1973 0.124E-02 0.321E-03
RMM: 11 -0.107545708917E+04 -0.16339E-03 -0.16916E-03 1865 0.121E-02 0.229E-03
RMM: 12 -0.107545724373E+04 -0.15456E-03 -0.16091E-03 1846 0.128E-02 0.196E-03
RMM: 13 -0.107545739463E+04 -0.15090E-03 -0.15711E-03 1557 0.123E-02 0.280E-03
RMM: 14 -0.107545753523E+04 -0.14060E-03 -0.14637E-03 1443 0.132E-02 0.368E-03
RMM: 15 -0.107545767749E+04 -0.14226E-03 -0.15066E-03 1579 0.160E-02 0.450E-03
RMM: 16 -0.107545781055E+04 -0.13306E-03 -0.13959E-03 1469 0.144E-02 0.512E-03
RMM: 17 -0.107545794176E+04 -0.13121E-03 -0.13906E-03 1518 0.160E-02 0.589E-03
RMM: 18 -0.107545806669E+04 -0.12493E-03 -0.13194E-03 1484 0.161E-02 0.676E-03
RMM: 19 -0.107545819124E+04 -0.12455E-03 -0.13220E-03 1533 0.164E-02 0.737E-03
RMM: 20 -0.107545830885E+04 -0.11761E-03 -0.12473E-03 1461 0.154E-02 0.804E-03
RMM: 21 -0.107545842497E+04 -0.11612E-03 -0.12351E-03 1531 0.158E-02 0.853E-03
RMM: 22 -0.107545853636E+04 -0.11138E-03 -0.11939E-03 1619 0.162E-02 0.866E-03
RMM: 23 -0.107545864581E+04 -0.10946E-03 -0.11790E-03 1699 0.156E-02 0.842E-03
RMM: 24 -0.107545875020E+04 -0.10439E-03 -0.11191E-03 1553 0.150E-02 0.873E-03
RMM: 25 -0.107545885338E+04 -0.10318E-03 -0.11107E-03 1557 0.156E-02 0.925E-03
RMM: 26 -0.107545895343E+04 -0.10005E-03 -0.10734E-03 1489 0.151E-02 0.982E-03
RMM: 27 -0.107545905132E+04 -0.97886E-04 -0.10563E-03 1498 0.154E-02 0.104E-02
RMM: 28 -0.107545914458E+04 -0.93263E-04 -0.10044E-03 1443 0.150E-02 0.109E-02
RMM: 29 -0.107545923784E+04 -0.93259E-04 -0.10150E-03 1561 0.165E-02 0.114E-02
RMM: 30 -0.107545932742E+04 -0.89580E-04 -0.97563E-04 1551 0.157E-02
503 T= 730. E= -.10763806E+04 F= -.10754593E+04 E0= -.10754194E+04 EK= 0.14628E+02 SP= -.16E+02 SK= 0.56E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107544483607E+04 0.14402E-01 -0.14459E+00 3400 0.127E+00 0.368E-01
RMM: 2 -0.107545156520E+04 -0.67291E-02 -0.94969E-02 4164 0.353E-01 0.274E-01
RMM: 3 -0.107545254732E+04 -0.98212E-03 -0.18331E-02 4000 0.126E-01 0.157E-01
RMM: 4 -0.107545311389E+04 -0.56657E-03 -0.64472E-03 3816 0.606E-02 0.836E-02
RMM: 5 -0.107545298322E+04 0.13067E-03 -0.24051E-03 3046 0.274E-02 0.467E-02
RMM: 6 -0.107545309120E+04 -0.10798E-03 -0.16224E-03 2522 0.179E-02 0.160E-02
RMM: 7 -0.107545322854E+04 -0.13734E-03 -0.14423E-03 2017 0.123E-02 0.772E-03
RMM: 8 -0.107545334665E+04 -0.11811E-03 -0.12215E-03 1965 0.108E-02 0.501E-03
RMM: 9 -0.107545346833E+04 -0.12167E-03 -0.12540E-03 1894 0.107E-02 0.305E-03
RMM: 10 -0.107545357968E+04 -0.11136E-03 -0.11752E-03 2012 0.135E-02 0.165E-03
RMM: 11 -0.107545369433E+04 -0.11464E-03 -0.11966E-03 1896 0.126E-02 0.148E-03
RMM: 12 -0.107545380098E+04 -0.10666E-03 -0.11326E-03 1931 0.137E-02 0.128E-03
RMM: 13 -0.107545390685E+04 -0.10587E-03 -0.11140E-03 1633 0.121E-02 0.123E-03
RMM: 14 -0.107545400668E+04 -0.99831E-04 -0.10686E-03 1551 0.140E-02 0.142E-03
RMM: 15 -0.107545410594E+04 -0.99260E-04 -0.10626E-03 1462 0.143E-02 0.235E-03
RMM: 16 -0.107545420276E+04 -0.96815E-04 -0.10572E-03 1650 0.167E-02 0.206E-03
RMM: 17 -0.107545429717E+04 -0.94411E-04 -0.10081E-03 1491 0.145E-02 0.210E-03
RMM: 18 -0.107545439059E+04 -0.93427E-04 -0.10165E-03 1603 0.164E-02 0.197E-03
RMM: 19 -0.107545448173E+04 -0.91142E-04 -0.97928E-04 1442 0.143E-02
504 T= 726. E= -.10763812E+04 F= -.10754545E+04 E0= -.10754144E+04 EK= 0.14551E+02 SP= -.15E+02 SK= 0.81E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107561473655E+04 -0.16035E+00 -0.10943E+00 3396 0.110E+00 0.314E-01
RMM: 2 -0.107562020954E+04 -0.54730E-02 -0.76580E-02 4177 0.308E-01 0.237E-01
RMM: 3 -0.107562093924E+04 -0.72970E-03 -0.15118E-02 3947 0.109E-01 0.144E-01
RMM: 4 -0.107562128312E+04 -0.34388E-03 -0.58793E-03 3487 0.525E-02 0.542E-02
RMM: 5 -0.107562147413E+04 -0.19101E-03 -0.28511E-03 3065 0.255E-02 0.427E-02
RMM: 6 -0.107562161668E+04 -0.14255E-03 -0.20252E-03 2274 0.166E-02 0.213E-02
RMM: 7 -0.107562180884E+04 -0.19216E-03 -0.19919E-03 2175 0.143E-02 0.918E-03
RMM: 8 -0.107562197591E+04 -0.16706E-03 -0.17241E-03 1916 0.957E-03 0.665E-03
RMM: 9 -0.107562214043E+04 -0.16452E-03 -0.16944E-03 1887 0.113E-02 0.554E-03
RMM: 10 -0.107562230120E+04 -0.16077E-03 -0.17048E-03 2299 0.176E-02 0.304E-03
RMM: 11 -0.107562245664E+04 -0.15544E-03 -0.15991E-03 1816 0.116E-02 0.204E-03
RMM: 12 -0.107562260495E+04 -0.14831E-03 -0.15543E-03 2021 0.145E-02 0.281E-03
RMM: 13 -0.107562275186E+04 -0.14691E-03 -0.15294E-03 1697 0.133E-02 0.364E-03
RMM: 14 -0.107562288901E+04 -0.13715E-03 -0.14387E-03 1565 0.141E-02 0.431E-03
RMM: 15 -0.107562302623E+04 -0.13722E-03 -0.14605E-03 1603 0.165E-02 0.513E-03
RMM: 16 -0.107562315764E+04 -0.13141E-03 -0.13905E-03 1551 0.161E-02 0.583E-03
RMM: 17 -0.107562328610E+04 -0.12846E-03 -0.13658E-03 1572 0.164E-02 0.655E-03
RMM: 18 -0.107562341138E+04 -0.12528E-03 -0.13267E-03 1555 0.165E-02 0.726E-03
RMM: 19 -0.107562353435E+04 -0.12297E-03 -0.13063E-03 1555 0.165E-02 0.794E-03
RMM: 20 -0.107562365302E+04 -0.11867E-03 -0.12641E-03 1512 0.158E-02 0.862E-03
RMM: 21 -0.107562376927E+04 -0.11625E-03 -0.12338E-03 1508 0.151E-02 0.927E-03
RMM: 22 -0.107562388016E+04 -0.11089E-03 -0.11788E-03 1477 0.145E-02 0.991E-03
RMM: 23 -0.107562399036E+04 -0.11020E-03 -0.11783E-03 1531 0.158E-02 0.106E-02
RMM: 24 -0.107562409614E+04 -0.10578E-03 -0.11326E-03 1503 0.151E-02 0.112E-02
RMM: 25 -0.107562420085E+04 -0.10471E-03 -0.11251E-03 1542 0.157E-02 0.118E-02
RMM: 26 -0.107562430060E+04 -0.99751E-04 -0.10653E-03 1462 0.149E-02 0.124E-02
RMM: 27 -0.107562440075E+04 -0.10014E-03 -0.10869E-03 1550 0.167E-02 0.130E-02
RMM: 28 -0.107562449602E+04 -0.95273E-04 -0.10228E-03 1463 0.151E-02 0.136E-02
RMM: 29 -0.107562459105E+04 -0.95027E-04 -0.10287E-03 1554 0.163E-02 0.142E-02
RMM: 30 -0.107562468282E+04 -0.91777E-04 -0.99035E-04 1468 0.153E-02
505 T= 729. E= -.10764060E+04 F= -.10756247E+04 E0= -.10755845E+04 EK= 0.14613E+02 SP= -.15E+02 SK= 0.11E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107566840576E+04 -0.43815E-01 -0.10622E+00 3387 0.107E+00 0.317E-01
RMM: 2 -0.107567339651E+04 -0.49907E-02 -0.70635E-02 4160 0.293E-01 0.240E-01
RMM: 3 -0.107567388048E+04 -0.48397E-03 -0.13920E-02 3945 0.101E-01 0.132E-01
RMM: 4 -0.107567425742E+04 -0.37694E-03 -0.53680E-03 3463 0.489E-02 0.636E-02
RMM: 5 -0.107567431777E+04 -0.60355E-04 -0.25444E-03 2995 0.246E-02 0.427E-02
RMM: 6 -0.107567445717E+04 -0.13940E-03 -0.18495E-03 2550 0.170E-02 0.153E-02
RMM: 7 -0.107567461807E+04 -0.16090E-03 -0.16726E-03 1982 0.118E-02 0.671E-03
RMM: 8 -0.107567476005E+04 -0.14197E-03 -0.14609E-03 1969 0.106E-02 0.555E-03
RMM: 9 -0.107567490502E+04 -0.14497E-03 -0.14949E-03 1909 0.112E-02 0.403E-03
RMM: 10 -0.107567503532E+04 -0.13030E-03 -0.13587E-03 2039 0.131E-02 0.148E-03
RMM: 11 -0.107567516916E+04 -0.13384E-03 -0.13927E-03 1859 0.124E-02 0.163E-03
RMM: 12 -0.107567529025E+04 -0.12109E-03 -0.12771E-03 1940 0.134E-02 0.189E-03
RMM: 13 -0.107567541222E+04 -0.12197E-03 -0.12796E-03 1564 0.124E-02 0.260E-03
RMM: 14 -0.107567552276E+04 -0.11054E-03 -0.11770E-03 1556 0.149E-02 0.295E-03
RMM: 15 -0.107567563822E+04 -0.11546E-03 -0.12527E-03 1630 0.171E-02 0.342E-03
RMM: 16 -0.107567574438E+04 -0.10616E-03 -0.11309E-03 1519 0.149E-02 0.393E-03
RMM: 17 -0.107567585121E+04 -0.10682E-03 -0.11405E-03 1534 0.153E-02 0.446E-03
RMM: 18 -0.107567595078E+04 -0.99569E-04 -0.10704E-03 1501 0.157E-02 0.499E-03
RMM: 19 -0.107567605154E+04 -0.10077E-03 -0.10862E-03 1527 0.162E-02 0.551E-03
RMM: 20 -0.107567614597E+04 -0.94424E-04 -0.10172E-03 1508 0.158E-02 0.602E-03
RMM: 21 -0.107567624144E+04 -0.95468E-04 -0.10313E-03 1526 0.159E-02 0.654E-03
RMM: 22 -0.107567633072E+04 -0.89281E-04 -0.96329E-04 1507 0.157E-02
506 T= 727. E= -.10764007E+04 F= -.10756763E+04 E0= -.10756372E+04 EK= 0.14573E+02 SP= -.15E+02 SK= 0.14E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107564967737E+04 0.26564E-01 -0.13644E+00 3379 0.119E+00 0.382E-01
RMM: 2 -0.107565564029E+04 -0.59629E-02 -0.92026E-02 4156 0.331E-01 0.289E-01
RMM: 3 -0.107565642700E+04 -0.78671E-03 -0.19324E-02 4135 0.119E-01 0.185E-01
RMM: 4 -0.107565667223E+04 -0.24523E-03 -0.64597E-03 3652 0.572E-02 0.106E-01
RMM: 5 -0.107565643449E+04 0.23774E-03 -0.21610E-03 3154 0.286E-02 0.493E-02
RMM: 6 -0.107565654027E+04 -0.10578E-03 -0.14384E-03 2586 0.171E-02 0.169E-02
RMM: 7 -0.107565664575E+04 -0.10549E-03 -0.11384E-03 2012 0.115E-02 0.101E-02
RMM: 8 -0.107565673964E+04 -0.93889E-04 -0.10062E-03 1923 0.103E-02 0.662E-03
RMM: 9 -0.107565683840E+04 -0.98758E-04 -0.10343E-03 1978 0.119E-02 0.253E-03
RMM: 10 -0.107565693338E+04 -0.94980E-04 -0.10049E-03 1990 0.132E-02 0.188E-03
RMM: 11 -0.107565702525E+04 -0.91869E-04 -0.95578E-04 1721 0.101E-02
507 T= 722. E= -.10763799E+04 F= -.10756570E+04 E0= -.10756200E+04 EK= 0.14465E+02 SP= -.15E+02 SK= 0.18E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107578670715E+04 -0.12977E+00 -0.11878E+00 3386 0.112E+00 0.345E-01
RMM: 2 -0.107579219646E+04 -0.54893E-02 -0.80709E-02 4139 0.312E-01 0.253E-01
RMM: 3 -0.107579311917E+04 -0.92272E-03 -0.18047E-02 4007 0.116E-01 0.151E-01
RMM: 4 -0.107579353083E+04 -0.41166E-03 -0.60014E-03 3659 0.539E-02 0.909E-02
RMM: 5 -0.107579345950E+04 0.71326E-04 -0.24237E-03 3007 0.264E-02 0.449E-02
RMM: 6 -0.107579361915E+04 -0.15964E-03 -0.18198E-03 2442 0.168E-02 0.145E-02
RMM: 7 -0.107579376700E+04 -0.14785E-03 -0.15547E-03 2065 0.121E-02 0.106E-02
RMM: 8 -0.107579390166E+04 -0.13466E-03 -0.14157E-03 1994 0.108E-02 0.670E-03
RMM: 9 -0.107579403398E+04 -0.13232E-03 -0.13772E-03 1975 0.125E-02 0.355E-03
RMM: 10 -0.107579416310E+04 -0.12912E-03 -0.13561E-03 2074 0.138E-02 0.219E-03
RMM: 11 -0.107579428216E+04 -0.11907E-03 -0.12263E-03 1786 0.102E-02 0.203E-03
RMM: 12 -0.107579439767E+04 -0.11550E-03 -0.12169E-03 1890 0.128E-02 0.224E-03
RMM: 13 -0.107579450676E+04 -0.10910E-03 -0.11466E-03 1549 0.120E-02 0.296E-03
RMM: 14 -0.107579461156E+04 -0.10480E-03 -0.11199E-03 1565 0.142E-02 0.317E-03
RMM: 15 -0.107579471270E+04 -0.10114E-03 -0.10934E-03 1582 0.154E-02 0.378E-03
RMM: 16 -0.107579481048E+04 -0.97782E-04 -0.10500E-03 1570 0.156E-02 0.436E-03
RMM: 17 -0.107579490515E+04 -0.94669E-04 -0.10252E-03 1599 0.166E-02 0.479E-03
RMM: 18 -0.107579499714E+04 -0.91985E-04 -0.10036E-03 1581 0.170E-02 0.511E-03
RMM: 19 -0.107579508763E+04 -0.90497E-04 -0.98882E-04 1565 0.158E-02
508 T= 723. E= -.10763864E+04 F= -.10757951E+04 E0= -.10757606E+04 EK= 0.14478E+02 SP= -.15E+02 SK= 0.21E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107596242824E+04 -0.16743E+00 -0.10830E+00 3370 0.107E+00 0.322E-01
RMM: 2 -0.107596802196E+04 -0.55937E-02 -0.73877E-02 4110 0.293E-01 0.250E-01
RMM: 3 -0.107596884658E+04 -0.82462E-03 -0.15375E-02 3931 0.106E-01 0.152E-01
RMM: 4 -0.107596921386E+04 -0.36728E-03 -0.45452E-03 3465 0.502E-02 0.727E-02
RMM: 5 -0.107596910019E+04 0.11367E-03 -0.18941E-03 3080 0.261E-02 0.381E-02
RMM: 6 -0.107596917709E+04 -0.76897E-04 -0.11560E-03 2287 0.153E-02 0.168E-02
RMM: 7 -0.107596927535E+04 -0.98258E-04 -0.10352E-03 2000 0.119E-02 0.667E-03
RMM: 8 -0.107596936393E+04 -0.88585E-04 -0.91345E-04 1881 0.923E-03
509 T= 724. E= -.10764000E+04 F= -.10759694E+04 E0= -.10759370E+04 EK= 0.14511E+02 SP= -.15E+02 SK= 0.24E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107594753378E+04 0.21742E-01 -0.12625E+00 3380 0.114E+00 0.352E-01
RMM: 2 -0.107595328145E+04 -0.57477E-02 -0.80789E-02 4129 0.311E-01 0.263E-01
RMM: 3 -0.107595406888E+04 -0.78743E-03 -0.17711E-02 4096 0.116E-01 0.149E-01
RMM: 4 -0.107595447933E+04 -0.41045E-03 -0.57359E-03 3684 0.537E-02 0.862E-02
RMM: 5 -0.107595433051E+04 0.14882E-03 -0.18918E-03 2990 0.257E-02 0.476E-02
RMM: 6 -0.107595444221E+04 -0.11169E-03 -0.14538E-03 2615 0.178E-02 0.161E-02
RMM: 7 -0.107595453953E+04 -0.97326E-04 -0.10867E-03 2011 0.118E-02 0.106E-02
RMM: 8 -0.107595463710E+04 -0.97570E-04 -0.10472E-03 1965 0.112E-02 0.656E-03
RMM: 9 -0.107595473409E+04 -0.96987E-04 -0.10151E-03 1966 0.125E-02 0.402E-03
RMM: 10 -0.107595483249E+04 -0.98404E-04 -0.10382E-03 2052 0.134E-02 0.178E-03
RMM: 11 -0.107595492258E+04 -0.90088E-04 -0.93259E-04 1789 0.104E-02
510 T= 717. E= -.10763917E+04 F= -.10759549E+04 E0= -.10759241E+04 EK= 0.14366E+02 SP= -.15E+02 SK= 0.28E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107581379631E+04 0.14104E+00 -0.13490E+00 3371 0.119E+00 0.365E-01
RMM: 2 -0.107581982969E+04 -0.60334E-02 -0.84694E-02 4124 0.328E-01 0.268E-01
RMM: 3 -0.107582045063E+04 -0.62094E-03 -0.17940E-02 4071 0.122E-01 0.134E-01
RMM: 4 -0.107582081367E+04 -0.36304E-03 -0.52289E-03 3719 0.546E-02 0.683E-02
RMM: 5 -0.107582087006E+04 -0.56393E-04 -0.20287E-03 2882 0.246E-02 0.491E-02
RMM: 6 -0.107582096765E+04 -0.97594E-04 -0.15581E-03 2606 0.183E-02 0.145E-02
RMM: 7 -0.107582109127E+04 -0.12361E-03 -0.13166E-03 1995 0.121E-02 0.947E-03
RMM: 8 -0.107582120655E+04 -0.11528E-03 -0.12152E-03 1940 0.110E-02 0.743E-03
RMM: 9 -0.107582132114E+04 -0.11459E-03 -0.11994E-03 1961 0.122E-02 0.374E-03
RMM: 10 -0.107582143583E+04 -0.11470E-03 -0.12104E-03 2086 0.139E-02 0.180E-03
RMM: 11 -0.107582154511E+04 -0.10928E-03 -0.11273E-03 1822 0.113E-02 0.172E-03
RMM: 12 -0.107582165436E+04 -0.10925E-03 -0.11504E-03 1970 0.130E-02 0.189E-03
RMM: 13 -0.107582176073E+04 -0.10637E-03 -0.11285E-03 1726 0.130E-02 0.251E-03
RMM: 14 -0.107582186369E+04 -0.10296E-03 -0.10911E-03 1536 0.134E-02 0.288E-03
RMM: 15 -0.107582196805E+04 -0.10437E-03 -0.11265E-03 1607 0.163E-02 0.336E-03
RMM: 16 -0.107582207137E+04 -0.10331E-03 -0.11124E-03 1626 0.163E-02 0.384E-03
RMM: 17 -0.107582217282E+04 -0.10145E-03 -0.10824E-03 1558 0.152E-02 0.421E-03
RMM: 18 -0.107582227333E+04 -0.10050E-03 -0.10745E-03 1572 0.156E-02 0.454E-03
RMM: 19 -0.107582237358E+04 -0.10026E-03 -0.10743E-03 1581 0.157E-02 0.464E-03
RMM: 20 -0.107582247228E+04 -0.98696E-04 -0.10552E-03 1547 0.152E-02 0.456E-03
RMM: 21 -0.107582257153E+04 -0.99246E-04 -0.10659E-03 1540 0.155E-02 0.488E-03
RMM: 22 -0.107582266897E+04 -0.97443E-04 -0.10410E-03 1475 0.142E-02 0.540E-03
RMM: 23 -0.107582276484E+04 -0.95869E-04 -0.10291E-03 1480 0.146E-02 0.589E-03
RMM: 24 -0.107582286097E+04 -0.96131E-04 -0.10327E-03 1485 0.151E-02 0.647E-03
RMM: 25 -0.107582295528E+04 -0.94315E-04 -0.10313E-03 1533 0.157E-02 0.692E-03
RMM: 26 -0.107582304978E+04 -0.94491E-04 -0.10166E-03 1467 0.153E-02 0.743E-03
RMM: 27 -0.107582314323E+04 -0.93452E-04 -0.10074E-03 1505 0.157E-02 0.793E-03
RMM: 28 -0.107582323662E+04 -0.93394E-04 -0.10097E-03 1498 0.162E-02 0.848E-03
RMM: 29 -0.107582333000E+04 -0.93380E-04 -0.10064E-03 1513 0.160E-02 0.899E-03
RMM: 30 -0.107582342228E+04 -0.92276E-04 -0.99136E-04 1478 0.154E-02
511 T= 704. E= -.10763802E+04 F= -.10758234E+04 E0= -.10757923E+04 EK= 0.14102E+02 SP= -.15E+02 SK= 0.29E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107573296356E+04 0.90366E-01 -0.11566E+00 3397 0.113E+00 0.327E-01
RMM: 2 -0.107573876025E+04 -0.57967E-02 -0.77735E-02 4135 0.310E-01 0.246E-01
RMM: 3 -0.107573956811E+04 -0.80786E-03 -0.16504E-02 4061 0.113E-01 0.148E-01
RMM: 4 -0.107573993215E+04 -0.36404E-03 -0.57915E-03 3603 0.537E-02 0.716E-02
RMM: 5 -0.107573993776E+04 -0.56074E-05 -0.26719E-03 3037 0.266E-02 0.423E-02
RMM: 6 -0.107574007205E+04 -0.13429E-03 -0.18323E-03 2397 0.164E-02 0.187E-02
RMM: 7 -0.107574023979E+04 -0.16774E-03 -0.17357E-03 2066 0.126E-02 0.788E-03
RMM: 8 -0.107574038837E+04 -0.14858E-03 -0.15331E-03 1940 0.100E-02 0.606E-03
RMM: 9 -0.107574053812E+04 -0.14975E-03 -0.15337E-03 1875 0.112E-02 0.376E-03
RMM: 10 -0.107574068361E+04 -0.14549E-03 -0.15374E-03 2231 0.163E-02 0.174E-03
RMM: 11 -0.107574082805E+04 -0.14444E-03 -0.14905E-03 1852 0.124E-02 0.164E-03
RMM: 12 -0.107574096856E+04 -0.14052E-03 -0.14749E-03 2038 0.144E-02 0.239E-03
RMM: 13 -0.107574110573E+04 -0.13716E-03 -0.14175E-03 1577 0.117E-02 0.305E-03
RMM: 14 -0.107574123860E+04 -0.13288E-03 -0.13892E-03 1566 0.139E-02 0.372E-03
RMM: 15 -0.107574137319E+04 -0.13459E-03 -0.14270E-03 1597 0.156E-02 0.443E-03
RMM: 16 -0.107574150316E+04 -0.12996E-03 -0.13712E-03 1549 0.146E-02 0.513E-03
RMM: 17 -0.107574162961E+04 -0.12645E-03 -0.13293E-03 1479 0.145E-02 0.586E-03
RMM: 18 -0.107574175711E+04 -0.12750E-03 -0.13554E-03 1614 0.169E-02 0.655E-03
RMM: 19 -0.107574188246E+04 -0.12535E-03 -0.13224E-03 1515 0.155E-02 0.724E-03
RMM: 20 -0.107574200530E+04 -0.12284E-03 -0.13002E-03 1517 0.156E-02 0.792E-03
RMM: 21 -0.107574212529E+04 -0.11998E-03 -0.12685E-03 1474 0.152E-02 0.860E-03
RMM: 22 -0.107574224505E+04 -0.11976E-03 -0.12720E-03 1530 0.158E-02 0.931E-03
RMM: 23 -0.107574236218E+04 -0.11713E-03 -0.12407E-03 1470 0.149E-02 0.998E-03
RMM: 24 -0.107574247747E+04 -0.11529E-03 -0.12267E-03 1484 0.155E-02 0.107E-02
RMM: 25 -0.107574259181E+04 -0.11434E-03 -0.12186E-03 1507 0.159E-02 0.113E-02
RMM: 26 -0.107574270490E+04 -0.11309E-03 -0.12030E-03 1490 0.155E-02 0.120E-02
RMM: 27 -0.107574281492E+04 -0.11002E-03 -0.11685E-03 1431 0.150E-02 0.127E-02
RMM: 28 -0.107574292479E+04 -0.10987E-03 -0.11768E-03 1492 0.163E-02 0.133E-02
RMM: 29 -0.107574303332E+04 -0.10853E-03 -0.11623E-03 1502 0.158E-02 0.140E-02
RMM: 30 -0.107574314004E+04 -0.10672E-03 -0.11365E-03 1451 0.151E-02 0.146E-02
RMM: 31 -0.107574324481E+04 -0.10477E-03 -0.11200E-03 1465 0.154E-02 0.153E-02
RMM: 32 -0.107574334808E+04 -0.10328E-03 -0.11060E-03 1434 0.155E-02 0.160E-02
RMM: 33 -0.107574345133E+04 -0.10324E-03 -0.11117E-03 1477 0.162E-02 0.166E-02
RMM: 34 -0.107574355247E+04 -0.10114E-03 -0.10848E-03 1429 0.153E-02 0.173E-02
RMM: 35 -0.107574365295E+04 -0.10048E-03 -0.10870E-03 1481 0.159E-02 0.179E-02
RMM: 36 -0.107574375277E+04 -0.99818E-04 -0.10855E-03 1455 0.155E-02 0.185E-02
RMM: 37 -0.107574385311E+04 -0.10034E-03 -0.11083E-03 1452 0.157E-02 0.192E-02
RMM: 38 -0.107574394468E+04 -0.91567E-04 -0.10561E-03 1450 0.154E-02 0.198E-02
RMM: 39 -0.107574403993E+04 -0.95253E-04 -0.10239E-03 1420 0.156E-02 0.204E-02
RMM: 40 -0.107574413386E+04 -0.93932E-04 -0.10120E-03 1446 0.157E-02 0.210E-02
RMM: 41 -0.107574422658E+04 -0.92720E-04 -0.10002E-03 1445 0.155E-02 0.216E-02
RMM: 42 -0.107574431820E+04 -0.91612E-04 -0.98160E-04 1407 0.149E-02
512 T= 693. E= -.10763849E+04 F= -.10757443E+04 E0= -.10757095E+04 EK= 0.13876E+02 SP= -.15E+02 SK= 0.28E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107574353695E+04 0.68963E-03 -0.10652E+00 3417 0.108E+00 0.326E-01
RMM: 2 -0.107574881154E+04 -0.52746E-02 -0.74014E-02 4144 0.297E-01 0.244E-01
RMM: 3 -0.107574979092E+04 -0.97938E-03 -0.17371E-02 4109 0.108E-01 0.151E-01
RMM: 4 -0.107575023123E+04 -0.44031E-03 -0.59978E-03 3645 0.514E-02 0.808E-02
RMM: 5 -0.107575018967E+04 0.41558E-04 -0.28930E-03 2931 0.261E-02 0.404E-02
RMM: 6 -0.107575033680E+04 -0.14712E-03 -0.19693E-03 2434 0.164E-02 0.179E-02
RMM: 7 -0.107575051910E+04 -0.18230E-03 -0.19029E-03 2093 0.128E-02 0.875E-03
RMM: 8 -0.107575067032E+04 -0.15122E-03 -0.15714E-03 2009 0.107E-02 0.615E-03
RMM: 9 -0.107575082517E+04 -0.15485E-03 -0.15868E-03 1934 0.117E-02 0.331E-03
RMM: 10 -0.107575096559E+04 -0.14043E-03 -0.14799E-03 2241 0.159E-02 0.162E-03
RMM: 11 -0.107575110441E+04 -0.13882E-03 -0.14369E-03 1873 0.123E-02 0.174E-03
RMM: 12 -0.107575122941E+04 -0.12500E-03 -0.13197E-03 1965 0.137E-02 0.233E-03
RMM: 13 -0.107575135250E+04 -0.12308E-03 -0.12837E-03 1570 0.121E-02 0.314E-03
RMM: 14 -0.107575146393E+04 -0.11143E-03 -0.11878E-03 1572 0.146E-02 0.376E-03
RMM: 15 -0.107575157718E+04 -0.11325E-03 -0.12136E-03 1581 0.156E-02 0.450E-03
RMM: 16 -0.107575168006E+04 -0.10287E-03 -0.11116E-03 1581 0.152E-02 0.516E-03
RMM: 17 -0.107575178056E+04 -0.10050E-03 -0.10728E-03 1451 0.146E-02 0.590E-03
RMM: 18 -0.107575187506E+04 -0.94495E-04 -0.10268E-03 1593 0.169E-02 0.651E-03
RMM: 19 -0.107575197059E+04 -0.95535E-04 -0.10315E-03 1542 0.159E-02 0.714E-03
RMM: 20 -0.107575205715E+04 -0.86559E-04 -0.93521E-04 1489 0.142E-02
513 T= 686. E= -.10763966E+04 F= -.10757521E+04 E0= -.10757161E+04 EK= 0.13738E+02 SP= -.14E+02 SK= 0.26E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107573873530E+04 0.13235E-01 -0.97064E-01 3416 0.105E+00 0.322E-01
RMM: 2 -0.107574264189E+04 -0.39066E-02 -0.76667E-02 4249 0.301E-01 0.222E-01
RMM: 3 -0.107574368547E+04 -0.10436E-02 -0.18126E-02 4289 0.111E-01 0.177E-01
RMM: 4 -0.107574382459E+04 -0.13912E-03 -0.56812E-03 3688 0.492E-02 0.109E-01
RMM: 5 -0.107574397668E+04 -0.15209E-03 -0.36739E-03 3142 0.315E-02 0.457E-02
RMM: 6 -0.107574413137E+04 -0.15469E-03 -0.22956E-03 2437 0.175E-02 0.253E-02
RMM: 7 -0.107574433763E+04 -0.20626E-03 -0.21554E-03 2104 0.125E-02 0.139E-02
RMM: 8 -0.107574452150E+04 -0.18387E-03 -0.19255E-03 2088 0.110E-02 0.613E-03
RMM: 9 -0.107574470726E+04 -0.18576E-03 -0.18868E-03 1964 0.107E-02 0.455E-03
RMM: 10 -0.107574488557E+04 -0.17831E-03 -0.18299E-03 2071 0.133E-02 0.190E-03
RMM: 11 -0.107574506065E+04 -0.17508E-03 -0.17960E-03 1989 0.122E-02 0.164E-03
RMM: 12 -0.107574522742E+04 -0.16678E-03 -0.17162E-03 1807 0.120E-02 0.194E-03
RMM: 13 -0.107574539142E+04 -0.16399E-03 -0.16943E-03 1584 0.125E-02 0.274E-03
RMM: 14 -0.107574554966E+04 -0.15824E-03 -0.16490E-03 1517 0.148E-02 0.411E-03
RMM: 15 -0.107574570940E+04 -0.15974E-03 -0.16796E-03 1603 0.164E-02 0.456E-03
RMM: 16 -0.107574586211E+04 -0.15271E-03 -0.15954E-03 1529 0.147E-02 0.555E-03
RMM: 17 -0.107574601413E+04 -0.15201E-03 -0.15869E-03 1522 0.157E-02 0.656E-03
RMM: 18 -0.107574616467E+04 -0.15054E-03 -0.15816E-03 1562 0.173E-02 0.764E-03
RMM: 19 -0.107574631326E+04 -0.14859E-03 -0.15579E-03 1513 0.155E-02 0.845E-03
RMM: 20 -0.107574645844E+04 -0.14518E-03 -0.15205E-03 1470 0.152E-02 0.949E-03
RMM: 21 -0.107574660167E+04 -0.14323E-03 -0.15269E-03 1574 0.163E-02 0.103E-02
RMM: 22 -0.107574674137E+04 -0.13970E-03 -0.14569E-03 1439 0.142E-02 0.113E-02
RMM: 23 -0.107574688052E+04 -0.13915E-03 -0.14655E-03 1492 0.155E-02 0.121E-02
RMM: 24 -0.107574701659E+04 -0.13607E-03 -0.14305E-03 1496 0.155E-02 0.130E-02
RMM: 25 -0.107574715228E+04 -0.13569E-03 -0.14324E-03 1498 0.159E-02 0.138E-02
RMM: 26 -0.107574728500E+04 -0.13273E-03 -0.14037E-03 1505 0.160E-02 0.147E-02
RMM: 27 -0.107574741683E+04 -0.13183E-03 -0.13901E-03 1479 0.157E-02 0.155E-02
RMM: 28 -0.107574754502E+04 -0.12818E-03 -0.13522E-03 1473 0.157E-02 0.163E-02
RMM: 29 -0.107574767279E+04 -0.12778E-03 -0.13533E-03 1497 0.162E-02 0.171E-02
RMM: 30 -0.107574779997E+04 -0.12718E-03 -0.13506E-03 1517 0.164E-02 0.179E-02
RMM: 31 -0.107574792400E+04 -0.12403E-03 -0.13054E-03 1415 0.146E-02 0.186E-02
RMM: 32 -0.107574804630E+04 -0.12230E-03 -0.12946E-03 1459 0.156E-02 0.194E-02
RMM: 33 -0.107574816767E+04 -0.12137E-03 -0.12878E-03 1458 0.157E-02 0.201E-02
RMM: 34 -0.107574828725E+04 -0.11958E-03 -0.12700E-03 1460 0.156E-02 0.209E-02
RMM: 35 -0.107574840434E+04 -0.11709E-03 -0.12432E-03 1446 0.155E-02 0.216E-02
RMM: 36 -0.107574852229E+04 -0.11795E-03 -0.12530E-03 1486 0.159E-02 0.223E-02
RMM: 37 -0.107574863669E+04 -0.11440E-03 -0.12104E-03 1391 0.147E-02 0.230E-02
RMM: 38 -0.107574875015E+04 -0.11346E-03 -0.12085E-03 1442 0.158E-02 0.237E-02
RMM: 39 -0.107574886406E+04 -0.11391E-03 -0.12130E-03 1462 0.157E-02 0.244E-02
RMM: 40 -0.107574897516E+04 -0.11109E-03 -0.11880E-03 1413 0.149E-02 0.250E-02
RMM: 41 -0.107574908521E+04 -0.11006E-03 -0.11848E-03 1433 0.153E-02 0.257E-02
RMM: 42 -0.107574919149E+04 -0.10627E-03 -0.11523E-03 1422 0.153E-02 0.263E-02
RMM: 43 -0.107574929928E+04 -0.10779E-03 -0.11516E-03 1452 0.154E-02 0.269E-02
RMM: 44 -0.107574940336E+04 -0.10408E-03 -0.11059E-03 1382 0.144E-02 0.276E-02
RMM: 45 -0.107574950715E+04 -0.10379E-03 -0.11099E-03 1442 0.158E-02 0.282E-02
RMM: 46 -0.107574961080E+04 -0.10365E-03 -0.11091E-03 1447 0.157E-02 0.288E-02
RMM: 47 -0.107574971243E+04 -0.10163E-03 -0.10835E-03 1389 0.148E-02 0.295E-02
RMM: 48 -0.107574981245E+04 -0.10002E-03 -0.10731E-03 1422 0.155E-02 0.300E-02
RMM: 49 -0.107574991178E+04 -0.99332E-04 -0.10639E-03 1426 0.155E-02 0.306E-02
RMM: 50 -0.107575001059E+04 -0.98803E-04 -0.10644E-03 1428 0.155E-02 0.312E-02
RMM: 51 -0.107575010767E+04 -0.97080E-04 -0.10391E-03 1399 0.146E-02 0.317E-02
RMM: 52 -0.107575020380E+04 -0.96138E-04 -0.10252E-03 1421 0.151E-02 0.325E-02
RMM: 53 -0.107575029780E+04 -0.94000E-04 -0.10189E-03 1415 0.151E-02 0.329E-02
RMM: 54 -0.107575039121E+04 -0.93402E-04 -0.10063E-03 1409 0.147E-02 0.334E-02
RMM: 55 -0.107575048272E+04 -0.91512E-04 -0.98804E-04 1405 0.148E-02
514 T= 679. E= -.10764025E+04 F= -.10757505E+04 E0= -.10757145E+04 EK= 0.13605E+02 SP= -.14E+02 SK= 0.22E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107565045667E+04 0.99935E-01 -0.10692E+00 3404 0.110E+00 0.315E-01
RMM: 2 -0.107565526136E+04 -0.48047E-02 -0.77495E-02 4222 0.313E-01 0.230E-01
RMM: 3 -0.107565625039E+04 -0.98902E-03 -0.16670E-02 4229 0.111E-01 0.173E-01
RMM: 4 -0.107565642700E+04 -0.17662E-03 -0.50651E-03 3646 0.512E-02 0.975E-02
RMM: 5 -0.107565642223E+04 0.47735E-05 -0.25288E-03 3119 0.295E-02 0.397E-02
RMM: 6 -0.107565650345E+04 -0.81227E-04 -0.14158E-03 2263 0.163E-02 0.218E-02
RMM: 7 -0.107565662827E+04 -0.12481E-03 -0.13375E-03 2079 0.123E-02 0.716E-03
RMM: 8 -0.107565673867E+04 -0.11041E-03 -0.11300E-03 1952 0.950E-03 0.559E-03
RMM: 9 -0.107565684494E+04 -0.10627E-03 -0.10918E-03 1843 0.103E-02 0.394E-03
RMM: 10 -0.107565695113E+04 -0.10619E-03 -0.11168E-03 2122 0.148E-02 0.156E-03
RMM: 11 -0.107565705295E+04 -0.10182E-03 -0.10593E-03 1840 0.117E-02 0.148E-03
RMM: 12 -0.107565715176E+04 -0.98812E-04 -0.10506E-03 1902 0.132E-02 0.181E-03
RMM: 13 -0.107565724557E+04 -0.93802E-04 -0.99151E-04 1476 0.112E-02
515 T= 669. E= -.10763914E+04 F= -.10756572E+04 E0= -.10756230E+04 EK= 0.13410E+02 SP= -.14E+02 SK= 0.17E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107554336665E+04 0.11379E+00 -0.11309E+00 3404 0.109E+00 0.348E-01
RMM: 2 -0.107554822267E+04 -0.48560E-02 -0.79960E-02 4217 0.308E-01 0.253E-01
RMM: 3 -0.107554918958E+04 -0.96691E-03 -0.18245E-02 4131 0.113E-01 0.190E-01
RMM: 4 -0.107554920116E+04 -0.11575E-04 -0.65749E-03 3701 0.543E-02 0.959E-02
RMM: 5 -0.107554939893E+04 -0.19777E-03 -0.34397E-03 3197 0.284E-02 0.392E-02
RMM: 6 -0.107554963852E+04 -0.23959E-03 -0.26023E-03 2273 0.162E-02 0.228E-02
RMM: 7 -0.107554985165E+04 -0.21313E-03 -0.23016E-03 2085 0.121E-02 0.114E-02
RMM: 8 -0.107555006551E+04 -0.21386E-03 -0.21790E-03 2121 0.117E-02 0.532E-03
RMM: 9 -0.107555027449E+04 -0.20898E-03 -0.21182E-03 1970 0.115E-02 0.358E-03
RMM: 10 -0.107555047445E+04 -0.19996E-03 -0.20426E-03 1974 0.127E-02 0.209E-03
RMM: 11 -0.107555066435E+04 -0.18990E-03 -0.19265E-03 1795 0.109E-02 0.163E-03
RMM: 12 -0.107555084796E+04 -0.18361E-03 -0.18933E-03 1904 0.133E-02 0.145E-03
RMM: 13 -0.107555102492E+04 -0.17696E-03 -0.18289E-03 1653 0.130E-02 0.179E-03
RMM: 14 -0.107555119544E+04 -0.17052E-03 -0.17825E-03 1566 0.144E-02 0.326E-03
RMM: 15 -0.107555136230E+04 -0.16686E-03 -0.17508E-03 1560 0.152E-02 0.349E-03
RMM: 16 -0.107555152194E+04 -0.15964E-03 -0.16593E-03 1523 0.145E-02 0.384E-03
RMM: 17 -0.107555167769E+04 -0.15575E-03 -0.16368E-03 1600 0.161E-02 0.380E-03
RMM: 18 -0.107555183065E+04 -0.15296E-03 -0.16034E-03 1631 0.163E-02 0.386E-03
RMM: 19 -0.107555198013E+04 -0.14948E-03 -0.15666E-03 1594 0.152E-02 0.417E-03
RMM: 20 -0.107555212319E+04 -0.14306E-03 -0.14908E-03 1462 0.134E-02 0.499E-03
RMM: 21 -0.107555226293E+04 -0.13975E-03 -0.14622E-03 1503 0.145E-02 0.573E-03
RMM: 22 -0.107555239871E+04 -0.13577E-03 -0.14275E-03 1488 0.150E-02 0.650E-03
RMM: 23 -0.107555253298E+04 -0.13427E-03 -0.14176E-03 1546 0.157E-02 0.720E-03
RMM: 24 -0.107555266118E+04 -0.12820E-03 -0.13502E-03 1463 0.144E-02 0.802E-03
RMM: 25 -0.107555278768E+04 -0.12650E-03 -0.13421E-03 1543 0.158E-02 0.869E-03
RMM: 26 -0.107555291214E+04 -0.12447E-03 -0.13206E-03 1519 0.158E-02 0.941E-03
RMM: 27 -0.107555303229E+04 -0.12015E-03 -0.12758E-03 1477 0.149E-02 0.101E-02
RMM: 28 -0.107555315027E+04 -0.11798E-03 -0.12549E-03 1481 0.156E-02 0.108E-02
RMM: 29 -0.107555326600E+04 -0.11573E-03 -0.12367E-03 1518 0.160E-02 0.115E-02
RMM: 30 -0.107555337964E+04 -0.11363E-03 -0.12100E-03 1487 0.155E-02 0.122E-02
RMM: 31 -0.107555349076E+04 -0.11112E-03 -0.11825E-03 1465 0.150E-02 0.128E-02
RMM: 32 -0.107555360000E+04 -0.10924E-03 -0.11632E-03 1496 0.154E-02 0.135E-02
RMM: 33 -0.107555370635E+04 -0.10635E-03 -0.11428E-03 1448 0.158E-02 0.141E-02
RMM: 34 -0.107555381084E+04 -0.10449E-03 -0.11224E-03 1470 0.160E-02 0.148E-02
RMM: 35 -0.107555391473E+04 -0.10389E-03 -0.11177E-03 1518 0.164E-02 0.155E-02
RMM: 36 -0.107555401592E+04 -0.10119E-03 -0.10832E-03 1461 0.151E-02 0.161E-02
RMM: 37 -0.107555411506E+04 -0.99143E-04 -0.10617E-03 1450 0.149E-02 0.168E-02
RMM: 38 -0.107555421229E+04 -0.97230E-04 -0.10409E-03 1423 0.152E-02 0.174E-02
RMM: 39 -0.107555431019E+04 -0.97895E-04 -0.10559E-03 1485 0.161E-02 0.180E-02
RMM: 40 -0.107555440526E+04 -0.95067E-04 -0.10209E-03 1421 0.147E-02 0.186E-02
RMM: 41 -0.107555449842E+04 -0.93161E-04 -0.10003E-03 1405 0.145E-02 0.192E-02
RMM: 42 -0.107555459169E+04 -0.93271E-04 -0.10086E-03 1451 0.152E-02 0.199E-02
RMM: 43 -0.107555468176E+04 -0.90071E-04 -0.97003E-04 1368 0.143E-02
516 T= 660. E= -.10763814E+04 F= -.10755547E+04 E0= -.10755225E+04 EK= 0.13223E+02 SP= -.14E+02 SK= 0.12E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107551908708E+04 0.35505E-01 -0.10845E+00 3393 0.104E+00 0.347E-01
RMM: 2 -0.107552279348E+04 -0.37064E-02 -0.70085E-02 4181 0.289E-01 0.238E-01
RMM: 3 -0.107552338998E+04 -0.59650E-03 -0.15542E-02 4084 0.106E-01 0.151E-01
RMM: 4 -0.107552342546E+04 -0.35480E-04 -0.52045E-03 3605 0.507E-02 0.887E-02
RMM: 5 -0.107552346914E+04 -0.43676E-04 -0.23264E-03 3097 0.260E-02 0.461E-02
RMM: 6 -0.107552362584E+04 -0.15670E-03 -0.16635E-03 2343 0.164E-02 0.203E-02
RMM: 7 -0.107552375874E+04 -0.13291E-03 -0.14658E-03 2045 0.121E-02 0.122E-02
RMM: 8 -0.107552388568E+04 -0.12693E-03 -0.13330E-03 2063 0.127E-02 0.652E-03
RMM: 9 -0.107552402372E+04 -0.13804E-03 -0.14405E-03 2166 0.152E-02 0.403E-03
RMM: 10 -0.107552415074E+04 -0.12702E-03 -0.13110E-03 1998 0.120E-02 0.276E-03
RMM: 11 -0.107552427483E+04 -0.12409E-03 -0.12852E-03 1896 0.115E-02 0.216E-03
RMM: 12 -0.107552439376E+04 -0.11893E-03 -0.12397E-03 1937 0.133E-02 0.120E-03
RMM: 13 -0.107552451284E+04 -0.11908E-03 -0.12465E-03 1693 0.136E-02 0.105E-03
RMM: 14 -0.107552462641E+04 -0.11357E-03 -0.12070E-03 1623 0.144E-02 0.126E-03
RMM: 15 -0.107552473947E+04 -0.11306E-03 -0.12063E-03 1548 0.147E-02 0.186E-03
RMM: 16 -0.107552484767E+04 -0.10820E-03 -0.11483E-03 1500 0.149E-02 0.277E-03
RMM: 17 -0.107552495742E+04 -0.10975E-03 -0.11825E-03 1601 0.171E-02 0.338E-03
RMM: 18 -0.107552506568E+04 -0.10826E-03 -0.11562E-03 1562 0.163E-02 0.409E-03
RMM: 19 -0.107552517243E+04 -0.10675E-03 -0.11487E-03 1582 0.160E-02 0.474E-03
RMM: 20 -0.107552527804E+04 -0.10561E-03 -0.11326E-03 1510 0.152E-02 0.539E-03
RMM: 21 -0.107552538037E+04 -0.10233E-03 -0.10974E-03 1492 0.148E-02 0.611E-03
RMM: 22 -0.107552548189E+04 -0.10152E-03 -0.10902E-03 1491 0.156E-02 0.680E-03
RMM: 23 -0.107552558402E+04 -0.10213E-03 -0.10950E-03 1518 0.158E-02 0.744E-03
RMM: 24 -0.107552568444E+04 -0.10041E-03 -0.10789E-03 1515 0.157E-02 0.809E-03
RMM: 25 -0.107552578416E+04 -0.99719E-04 -0.10733E-03 1513 0.156E-02 0.875E-03
RMM: 26 -0.107552588265E+04 -0.98492E-04 -0.10610E-03 1516 0.155E-02 0.942E-03
RMM: 27 -0.107552597925E+04 -0.96598E-04 -0.10336E-03 1443 0.149E-02 0.101E-02
RMM: 28 -0.107552607648E+04 -0.97231E-04 -0.10440E-03 1508 0.159E-02 0.107E-02
RMM: 29 -0.107552617188E+04 -0.95397E-04 -0.10206E-03 1454 0.148E-02 0.114E-02
RMM: 30 -0.107552626605E+04 -0.94178E-04 -0.10105E-03 1455 0.150E-02 0.120E-02
RMM: 31 -0.107552635959E+04 -0.93537E-04 -0.10052E-03 1443 0.156E-02 0.126E-02
RMM: 32 -0.107552645410E+04 -0.94510E-04 -0.10253E-03 1507 0.164E-02 0.132E-02
RMM: 33 -0.107552654726E+04 -0.93158E-04 -0.10062E-03 1489 0.154E-02 0.138E-02
RMM: 34 -0.107552663845E+04 -0.91190E-04 -0.97856E-04 1416 0.148E-02
517 T= 655. E= -.10763831E+04 F= -.10755266E+04 E0= -.10754950E+04 EK= 0.13119E+02 SP= -.14E+02 SK= 0.65E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107552398138E+04 0.25659E-02 -0.11148E+00 3400 0.108E+00 0.336E-01
RMM: 2 -0.107552891190E+04 -0.49305E-02 -0.78129E-02 4170 0.304E-01 0.257E-01
RMM: 3 -0.107552946999E+04 -0.55808E-03 -0.16544E-02 4048 0.108E-01 0.162E-01
RMM: 4 -0.107552978377E+04 -0.31378E-03 -0.56827E-03 3542 0.520E-02 0.897E-02
RMM: 5 -0.107552968541E+04 0.98357E-04 -0.22881E-03 3127 0.269E-02 0.486E-02
RMM: 6 -0.107552981495E+04 -0.12954E-03 -0.15737E-03 2394 0.162E-02 0.194E-02
RMM: 7 -0.107552994882E+04 -0.13387E-03 -0.13862E-03 2069 0.116E-02 0.113E-02
RMM: 8 -0.107553006560E+04 -0.11678E-03 -0.12430E-03 1995 0.105E-02 0.697E-03
RMM: 9 -0.107553018874E+04 -0.12314E-03 -0.12650E-03 2060 0.135E-02 0.313E-03
RMM: 10 -0.107553031107E+04 -0.12232E-03 -0.12949E-03 2197 0.162E-02 0.232E-03
RMM: 11 -0.107553042441E+04 -0.11334E-03 -0.11631E-03 1785 0.103E-02 0.207E-03
RMM: 12 -0.107553053446E+04 -0.11006E-03 -0.11566E-03 1908 0.130E-02 0.230E-03
RMM: 13 -0.107553064250E+04 -0.10803E-03 -0.11370E-03 1614 0.130E-02 0.297E-03
RMM: 14 -0.107553074768E+04 -0.10519E-03 -0.11190E-03 1569 0.145E-02 0.304E-03
RMM: 15 -0.107553085190E+04 -0.10422E-03 -0.11169E-03 1580 0.155E-02 0.336E-03
RMM: 16 -0.107553095448E+04 -0.10257E-03 -0.11048E-03 1696 0.160E-02 0.343E-03
RMM: 17 -0.107553105387E+04 -0.99395E-04 -0.10588E-03 1576 0.151E-02 0.341E-03
RMM: 18 -0.107553115405E+04 -0.10018E-03 -0.10889E-03 1715 0.174E-02 0.346E-03
RMM: 19 -0.107553125151E+04 -0.97459E-04 -0.10423E-03 1516 0.145E-02 0.385E-03
RMM: 20 -0.107553134616E+04 -0.94655E-04 -0.10125E-03 1508 0.143E-02 0.434E-03
RMM: 21 -0.107553143899E+04 -0.92824E-04 -0.99546E-04 1477 0.148E-02
518 T= 652. E= -.10763901E+04 F= -.10755314E+04 E0= -.10754997E+04 EK= 0.13065E+02 SP= -.14E+02 SK= 0.26E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107549914909E+04 0.32197E-01 -0.11335E+00 3378 0.110E+00 0.328E-01
RMM: 2 -0.107550432054E+04 -0.51714E-02 -0.81300E-02 4210 0.317E-01 0.248E-01
RMM: 3 -0.107550506250E+04 -0.74196E-03 -0.16940E-02 4184 0.112E-01 0.171E-01
RMM: 4 -0.107550529644E+04 -0.23394E-03 -0.55502E-03 3625 0.528E-02 0.973E-02
RMM: 5 -0.107550513608E+04 0.16036E-03 -0.20731E-03 3118 0.276E-02 0.458E-02
RMM: 6 -0.107550520635E+04 -0.70264E-04 -0.11642E-03 2380 0.162E-02 0.228E-02
RMM: 7 -0.107550530148E+04 -0.95139E-04 -0.10314E-03 2087 0.123E-02 0.109E-02
RMM: 8 -0.107550538114E+04 -0.79660E-04 -0.86332E-04 2029 0.102E-02
519 T= 650. E= -.10763848E+04 F= -.10755054E+04 E0= -.10754745E+04 EK= 0.13016E+02 SP= -.14E+02 SK= 0.42E-03
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107553254499E+04 -0.27244E-01 -0.11560E+00 3381 0.111E+00 0.333E-01
RMM: 2 -0.107553764215E+04 -0.50972E-02 -0.80222E-02 4215 0.315E-01 0.246E-01
RMM: 3 -0.107553875660E+04 -0.11144E-02 -0.18759E-02 4307 0.118E-01 0.183E-01
RMM: 4 -0.107553883137E+04 -0.74774E-04 -0.54563E-03 3671 0.526E-02 0.991E-02
RMM: 5 -0.107553888090E+04 -0.49533E-04 -0.24601E-03 3080 0.277E-02 0.349E-02
RMM: 6 -0.107553903873E+04 -0.15783E-03 -0.17741E-03 2319 0.166E-02 0.181E-02
RMM: 7 -0.107553918772E+04 -0.14899E-03 -0.15425E-03 2029 0.118E-02 0.118E-02
RMM: 8 -0.107553932870E+04 -0.14098E-03 -0.14311E-03 2018 0.107E-02 0.568E-03
RMM: 9 -0.107553946635E+04 -0.13765E-03 -0.13675E-03 1935 0.109E-02 0.258E-03
RMM: 10 -0.107553960060E+04 -0.13425E-03 -0.13777E-03 2057 0.137E-02 0.164E-03
RMM: 11 -0.107553972461E+04 -0.12401E-03 -0.12677E-03 1842 0.110E-02 0.161E-03
RMM: 12 -0.107553984594E+04 -0.12133E-03 -0.12737E-03 1912 0.129E-02 0.200E-03
RMM: 13 -0.107553995825E+04 -0.11231E-03 -0.11875E-03 1601 0.118E-02 0.272E-03
RMM: 14 -0.107554006833E+04 -0.11009E-03 -0.11612E-03 1559 0.140E-02 0.323E-03
RMM: 15 -0.107554017697E+04 -0.10863E-03 -0.11563E-03 1577 0.154E-02 0.361E-03
RMM: 16 -0.107554028077E+04 -0.10380E-03 -0.10963E-03 1571 0.151E-02 0.392E-03
RMM: 17 -0.107554038317E+04 -0.10240E-03 -0.10966E-03 1649 0.167E-02 0.413E-03
RMM: 18 -0.107554048249E+04 -0.99317E-04 -0.10620E-03 1570 0.157E-02 0.431E-03
RMM: 19 -0.107554057940E+04 -0.96911E-04 -0.10336E-03 1532 0.149E-02 0.481E-03
RMM: 20 -0.107554067253E+04 -0.93132E-04 -0.99381E-04 1464 0.141E-02
520 T= 651. E= -.10763809E+04 F= -.10755407E+04 E0= -.10755099E+04 EK= 0.13052E+02 SP= -.14E+02 SK= 0.11E-03
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107569308067E+04 -0.15250E+00 -0.10783E+00 3380 0.107E+00 0.317E-01
RMM: 2 -0.107569832873E+04 -0.52481E-02 -0.74024E-02 4174 0.296E-01 0.244E-01
RMM: 3 -0.107569916744E+04 -0.83871E-03 -0.16276E-02 4080 0.108E-01 0.154E-01
RMM: 4 -0.107569927438E+04 -0.10694E-03 -0.41584E-03 3393 0.496E-02 0.466E-02
RMM: 5 -0.107569943749E+04 -0.16311E-03 -0.19949E-03 3041 0.252E-02 0.339E-02
RMM: 6 -0.107569950361E+04 -0.66119E-04 -0.10926E-03 2117 0.151E-02 0.224E-02
RMM: 7 -0.107569961198E+04 -0.10837E-03 -0.11869E-03 2260 0.151E-02 0.723E-03
RMM: 8 -0.107569969680E+04 -0.84822E-04 -0.88223E-04 1890 0.951E-03
521 T= 660. E= -.10763909E+04 F= -.10756997E+04 E0= -.10756684E+04 EK= 0.13221E+02 SP= -.14E+02 SK= 0.15E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107585346131E+04 -0.15385E+00 -0.10405E+00 3390 0.104E+00 0.312E-01
RMM: 2 -0.107585843379E+04 -0.49725E-02 -0.68904E-02 4157 0.285E-01 0.242E-01
RMM: 3 -0.107585899858E+04 -0.56480E-03 -0.14598E-02 4033 0.104E-01 0.144E-01
RMM: 4 -0.107585935833E+04 -0.35974E-03 -0.53227E-03 3537 0.507E-02 0.767E-02
RMM: 5 -0.107585925478E+04 0.10355E-03 -0.20611E-03 2977 0.260E-02 0.452E-02
RMM: 6 -0.107585936405E+04 -0.10927E-03 -0.15163E-03 2566 0.170E-02 0.179E-02
RMM: 7 -0.107585947669E+04 -0.11264E-03 -0.11626E-03 1996 0.116E-02 0.838E-03
RMM: 8 -0.107585957874E+04 -0.10206E-03 -0.10750E-03 1964 0.111E-02 0.617E-03
RMM: 9 -0.107585967732E+04 -0.98582E-04 -0.10152E-03 1971 0.124E-02 0.324E-03
RMM: 10 -0.107585977282E+04 -0.95494E-04 -0.10054E-03 2110 0.139E-02 0.155E-03
RMM: 11 -0.107585985817E+04 -0.85353E-04 -0.89870E-04 1847 0.120E-02
522 T= 669. E= -.10764015E+04 F= -.10758599E+04 E0= -.10758288E+04 EK= 0.13412E+02 SP= -.14E+02 SK= 0.38E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107586683517E+04 -0.70624E-02 -0.10327E+00 3386 0.102E+00 0.304E-01
RMM: 2 -0.107587173584E+04 -0.49007E-02 -0.66984E-02 4124 0.276E-01 0.235E-01
RMM: 3 -0.107587222548E+04 -0.48964E-03 -0.14634E-02 3976 0.100E-01 0.137E-01
RMM: 4 -0.107587248212E+04 -0.25665E-03 -0.47090E-03 3456 0.469E-02 0.654E-02
RMM: 5 -0.107587250490E+04 -0.22778E-04 -0.20994E-03 2884 0.240E-02 0.444E-02
RMM: 6 -0.107587260423E+04 -0.99326E-04 -0.14521E-03 2374 0.159E-02 0.187E-02
RMM: 7 -0.107587272976E+04 -0.12553E-03 -0.13130E-03 2044 0.127E-02 0.719E-03
RMM: 8 -0.107587284206E+04 -0.11230E-03 -0.11600E-03 1910 0.102E-02 0.576E-03
RMM: 9 -0.107587294994E+04 -0.10788E-03 -0.11139E-03 1849 0.111E-02 0.350E-03
RMM: 10 -0.107587305337E+04 -0.10343E-03 -0.11030E-03 2066 0.148E-02 0.146E-03
RMM: 11 -0.107587315155E+04 -0.98187E-04 -0.10406E-03 1864 0.133E-02 0.140E-03
RMM: 12 -0.107587324611E+04 -0.94557E-04 -0.10157E-03 1961 0.145E-02 0.170E-03
RMM: 13 -0.107587333599E+04 -0.89877E-04 -0.95970E-04 1623 0.130E-02
523 T= 673. E= -.10763969E+04 F= -.10758733E+04 E0= -.10758428E+04 EK= 0.13486E+02 SP= -.14E+02 SK= 0.64E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107577700276E+04 0.96243E-01 -0.11750E+00 3372 0.108E+00 0.356E-01
RMM: 2 -0.107578213338E+04 -0.51306E-02 -0.74255E-02 4146 0.287E-01 0.266E-01
RMM: 3 -0.107578270981E+04 -0.57643E-03 -0.17443E-02 3927 0.105E-01 0.123E-01
RMM: 4 -0.107578298468E+04 -0.27487E-03 -0.44041E-03 3504 0.446E-02 0.586E-02
RMM: 5 -0.107578312917E+04 -0.14449E-03 -0.21517E-03 2815 0.219E-02 0.222E-02
RMM: 6 -0.107578328465E+04 -0.15548E-03 -0.17437E-03 2124 0.143E-02 0.129E-02
RMM: 7 -0.107578342572E+04 -0.14107E-03 -0.14929E-03 1962 0.122E-02 0.889E-03
RMM: 8 -0.107578357340E+04 -0.14768E-03 -0.15249E-03 2007 0.128E-02 0.424E-03
RMM: 9 -0.107578370751E+04 -0.13411E-03 -0.13860E-03 2008 0.124E-02 0.221E-03
RMM: 10 -0.107578383930E+04 -0.13180E-03 -0.13570E-03 1883 0.113E-02 0.192E-03
RMM: 11 -0.107578395866E+04 -0.11935E-03 -0.12451E-03 1942 0.123E-02 0.165E-03
RMM: 12 -0.107578407782E+04 -0.11917E-03 -0.12556E-03 1920 0.134E-02 0.130E-03
RMM: 13 -0.107578418678E+04 -0.10896E-03 -0.11467E-03 1718 0.131E-02 0.118E-03
RMM: 14 -0.107578429562E+04 -0.10884E-03 -0.11472E-03 1553 0.135E-02 0.106E-03
RMM: 15 -0.107578439644E+04 -0.10082E-03 -0.10745E-03 1608 0.147E-02 0.854E-04
RMM: 16 -0.107578449641E+04 -0.99970E-04 -0.10679E-03 1643 0.151E-02 0.631E-04
RMM: 17 -0.107578459015E+04 -0.93734E-04 -0.10057E-03 1547 0.151E-02 0.695E-04
RMM: 18 -0.107578468367E+04 -0.93524E-04 -0.10080E-03 1563 0.156E-02 0.857E-04
RMM: 19 -0.107578477256E+04 -0.88887E-04 -0.96054E-04 1524 0.149E-02
524 T= 673. E= -.10763900E+04 F= -.10757848E+04 E0= -.10757538E+04 EK= 0.13476E+02 SP= -.14E+02 SK= 0.96E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107569070568E+04 0.93978E-01 -0.10385E+00 3376 0.105E+00 0.281E-01
RMM: 2 -0.107569615603E+04 -0.54504E-02 -0.69070E-02 4120 0.288E-01 0.214E-01
RMM: 3 -0.107569709220E+04 -0.93618E-03 -0.14195E-02 3878 0.101E-01 0.139E-01
RMM: 4 -0.107569734864E+04 -0.25644E-03 -0.45199E-03 3407 0.473E-02 0.587E-02
RMM: 5 -0.107569739848E+04 -0.49835E-04 -0.21125E-03 2953 0.248E-02 0.338E-02
RMM: 6 -0.107569750528E+04 -0.10681E-03 -0.14602E-03 2049 0.144E-02 0.195E-02
RMM: 7 -0.107569763276E+04 -0.12748E-03 -0.14115E-03 2197 0.152E-02 0.703E-03
RMM: 8 -0.107569775498E+04 -0.12221E-03 -0.12584E-03 1778 0.897E-03 0.453E-03
RMM: 9 -0.107569786554E+04 -0.11056E-03 -0.11322E-03 1795 0.922E-03 0.356E-03
RMM: 10 -0.107569797586E+04 -0.11032E-03 -0.11474E-03 1912 0.121E-02 0.259E-03
RMM: 11 -0.107569807865E+04 -0.10280E-03 -0.10995E-03 2008 0.141E-02 0.176E-03
RMM: 12 -0.107569818040E+04 -0.10174E-03 -0.10701E-03 1772 0.114E-02 0.183E-03
RMM: 13 -0.107569827397E+04 -0.93576E-04 -0.99086E-04 1667 0.125E-02
525 T= 672. E= -.10763915E+04 F= -.10756983E+04 E0= -.10756652E+04 EK= 0.13473E+02 SP= -.14E+02 SK= 0.14E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107565897818E+04 0.39202E-01 -0.12003E+00 3360 0.111E+00 0.338E-01
RMM: 2 -0.107566433422E+04 -0.53560E-02 -0.78932E-02 4144 0.311E-01 0.245E-01
RMM: 3 -0.107566501837E+04 -0.68414E-03 -0.16371E-02 3947 0.110E-01 0.130E-01
RMM: 4 -0.107566528384E+04 -0.26548E-03 -0.48434E-03 3537 0.483E-02 0.572E-02
RMM: 5 -0.107566548446E+04 -0.20062E-03 -0.23720E-03 2750 0.232E-02 0.306E-02
RMM: 6 -0.107566563078E+04 -0.14632E-03 -0.18100E-03 2074 0.153E-02 0.174E-02
RMM: 7 -0.107566579569E+04 -0.16491E-03 -0.17268E-03 2212 0.154E-02 0.721E-03
RMM: 8 -0.107566595726E+04 -0.16157E-03 -0.16237E-03 1940 0.114E-02 0.376E-03
RMM: 9 -0.107566610639E+04 -0.14913E-03 -0.14922E-03 1892 0.103E-02 0.177E-03
RMM: 10 -0.107566624906E+04 -0.14267E-03 -0.14532E-03 1933 0.120E-02 0.145E-03
RMM: 11 -0.107566638286E+04 -0.13380E-03 -0.13826E-03 1888 0.129E-02 0.148E-03
RMM: 12 -0.107566651187E+04 -0.12901E-03 -0.13478E-03 1808 0.128E-02 0.179E-03
RMM: 13 -0.107566663509E+04 -0.12322E-03 -0.12946E-03 1702 0.136E-02 0.271E-03
RMM: 14 -0.107566675280E+04 -0.11771E-03 -0.12233E-03 1461 0.123E-02 0.272E-03
RMM: 15 -0.107566686476E+04 -0.11196E-03 -0.11854E-03 1529 0.151E-02 0.272E-03
RMM: 16 -0.107566697726E+04 -0.11250E-03 -0.12024E-03 1622 0.167E-02 0.293E-03
RMM: 17 -0.107566708235E+04 -0.10509E-03 -0.11170E-03 1517 0.148E-02 0.300E-03
RMM: 18 -0.107566718543E+04 -0.10308E-03 -0.10938E-03 1500 0.147E-02 0.303E-03
RMM: 19 -0.107566728362E+04 -0.98193E-04 -0.10540E-03 1536 0.156E-02 0.337E-03
RMM: 20 -0.107566738162E+04 -0.98001E-04 -0.10509E-03 1493 0.152E-02 0.381E-03
RMM: 21 -0.107566747424E+04 -0.92619E-04 -0.99921E-04 1527 0.149E-02
526 T= 676. E= -.10763876E+04 F= -.10756675E+04 E0= -.10756317E+04 EK= 0.13547E+02 SP= -.14E+02 SK= 0.18E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107577465015E+04 -0.10727E+00 -0.12327E+00 3370 0.116E+00 0.347E-01
RMM: 2 -0.107578039257E+04 -0.57424E-02 -0.82716E-02 4158 0.320E-01 0.263E-01
RMM: 3 -0.107578135296E+04 -0.96039E-03 -0.18361E-02 4039 0.115E-01 0.166E-01
RMM: 4 -0.107578170944E+04 -0.35648E-03 -0.66328E-03 3660 0.544E-02 0.936E-02
RMM: 5 -0.107578162896E+04 0.80476E-04 -0.28421E-03 3026 0.268E-02 0.434E-02
RMM: 6 -0.107578183161E+04 -0.20265E-03 -0.22994E-03 2381 0.163E-02 0.143E-02
RMM: 7 -0.107578201968E+04 -0.18807E-03 -0.19434E-03 2077 0.124E-02 0.102E-02
RMM: 8 -0.107578220190E+04 -0.18222E-03 -0.18803E-03 1910 0.104E-02 0.616E-03
RMM: 9 -0.107578237091E+04 -0.16900E-03 -0.17229E-03 1889 0.117E-02 0.207E-03
RMM: 10 -0.107578254248E+04 -0.17157E-03 -0.17860E-03 2138 0.150E-02 0.164E-03
RMM: 11 -0.107578269754E+04 -0.15506E-03 -0.15969E-03 1830 0.119E-02 0.164E-03
RMM: 12 -0.107578285116E+04 -0.15362E-03 -0.15967E-03 1936 0.135E-02 0.202E-03
RMM: 13 -0.107578299183E+04 -0.14067E-03 -0.14686E-03 1514 0.128E-02 0.295E-03
RMM: 14 -0.107578313217E+04 -0.14034E-03 -0.14740E-03 1583 0.150E-02 0.304E-03
RMM: 15 -0.107578326299E+04 -0.13082E-03 -0.13868E-03 1591 0.155E-02 0.324E-03
RMM: 16 -0.107578339189E+04 -0.12890E-03 -0.13590E-03 1532 0.151E-02 0.341E-03
RMM: 17 -0.107578351303E+04 -0.12114E-03 -0.12860E-03 1568 0.158E-02 0.338E-03
RMM: 18 -0.107578363200E+04 -0.11897E-03 -0.12649E-03 1571 0.154E-02 0.305E-03
RMM: 19 -0.107578374379E+04 -0.11179E-03 -0.11927E-03 1585 0.148E-02 0.310E-03
RMM: 20 -0.107578385212E+04 -0.10833E-03 -0.11484E-03 1461 0.140E-02 0.339E-03
RMM: 21 -0.107578395551E+04 -0.10339E-03 -0.11149E-03 1531 0.155E-02 0.392E-03
RMM: 22 -0.107578405569E+04 -0.10017E-03 -0.10747E-03 1466 0.145E-02 0.437E-03
RMM: 23 -0.107578415200E+04 -0.96319E-04 -0.10352E-03 1539 0.150E-02 0.483E-03
RMM: 24 -0.107578424507E+04 -0.93070E-04 -0.10016E-03 1459 0.146E-02 0.529E-03
RMM: 25 -0.107578433301E+04 -0.87933E-04 -0.95215E-04 1489 0.150E-02
527 T= 687. E= -.10764059E+04 F= -.10757843E+04 E0= -.10757467E+04 EK= 0.13760E+02 SP= -.14E+02 SK= 0.21E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107586404180E+04 -0.79797E-01 -0.94423E-01 3394 0.102E+00 0.276E-01
RMM: 2 -0.107586892671E+04 -0.48849E-02 -0.65777E-02 4141 0.290E-01 0.207E-01
RMM: 3 -0.107586975949E+04 -0.83278E-03 -0.13744E-02 4027 0.100E-01 0.133E-01
RMM: 4 -0.107587003411E+04 -0.27462E-03 -0.43256E-03 3521 0.466E-02 0.594E-02
RMM: 5 -0.107587008797E+04 -0.53863E-04 -0.21478E-03 2952 0.240E-02 0.332E-02
RMM: 6 -0.107587019759E+04 -0.10962E-03 -0.14435E-03 2154 0.152E-02 0.166E-02
RMM: 7 -0.107587033864E+04 -0.14105E-03 -0.14495E-03 2189 0.147E-02 0.757E-03
RMM: 8 -0.107587045840E+04 -0.11976E-03 -0.12393E-03 1903 0.972E-03 0.523E-03
RMM: 9 -0.107587057354E+04 -0.11514E-03 -0.11774E-03 1879 0.107E-02 0.318E-03
RMM: 10 -0.107587068379E+04 -0.11025E-03 -0.11536E-03 2116 0.153E-02 0.199E-03
RMM: 11 -0.107587079143E+04 -0.10764E-03 -0.11494E-03 1985 0.149E-02 0.153E-03
RMM: 12 -0.107587089251E+04 -0.10108E-03 -0.10749E-03 1912 0.132E-02 0.169E-03
RMM: 13 -0.107587098825E+04 -0.95740E-04 -0.10228E-03 1605 0.127E-02 0.208E-03
RMM: 14 -0.107587107871E+04 -0.90463E-04 -0.97810E-04 1506 0.141E-02
528 T= 696. E= -.10764235E+04 F= -.10758711E+04 E0= -.10758338E+04 EK= 0.13952E+02 SP= -.15E+02 SK= 0.23E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107570726959E+04 0.16372E+00 -0.10962E+00 3417 0.109E+00 0.303E-01
RMM: 2 -0.107571256020E+04 -0.52906E-02 -0.76383E-02 4176 0.311E-01 0.228E-01
RMM: 3 -0.107571346036E+04 -0.90016E-03 -0.16362E-02 4162 0.109E-01 0.163E-01
RMM: 4 -0.107571370544E+04 -0.24508E-03 -0.61434E-03 3629 0.508E-02 0.897E-02
RMM: 5 -0.107571375844E+04 -0.53002E-04 -0.30681E-03 3185 0.277E-02 0.405E-02
RMM: 6 -0.107571393258E+04 -0.17413E-03 -0.21517E-03 2275 0.159E-02 0.229E-02
RMM: 7 -0.107571413751E+04 -0.20493E-03 -0.20529E-03 2151 0.134E-02 0.977E-03
RMM: 8 -0.107571431970E+04 -0.18219E-03 -0.18672E-03 1955 0.977E-03 0.615E-03
RMM: 9 -0.107571449811E+04 -0.17841E-03 -0.17907E-03 1829 0.107E-02 0.399E-03
RMM: 10 -0.107571467931E+04 -0.18120E-03 -0.18511E-03 2189 0.162E-02 0.342E-03
RMM: 11 -0.107571484928E+04 -0.16997E-03 -0.17348E-03 1756 0.111E-02 0.267E-03
RMM: 12 -0.107571501516E+04 -0.16588E-03 -0.17159E-03 1785 0.121E-02 0.302E-03
RMM: 13 -0.107571517423E+04 -0.15907E-03 -0.16441E-03 1537 0.114E-02 0.358E-03
RMM: 14 -0.107571532924E+04 -0.15501E-03 -0.15976E-03 1462 0.130E-02 0.350E-03
RMM: 15 -0.107571548474E+04 -0.15550E-03 -0.16223E-03 1690 0.159E-02 0.287E-03
RMM: 16 -0.107571563769E+04 -0.15295E-03 -0.15811E-03 1745 0.150E-02 0.310E-03
RMM: 17 -0.107571578402E+04 -0.14632E-03 -0.15189E-03 1496 0.135E-02 0.332E-03
RMM: 18 -0.107571592851E+04 -0.14449E-03 -0.15136E-03 1533 0.152E-02 0.387E-03
RMM: 19 -0.107571607011E+04 -0.14160E-03 -0.14846E-03 1522 0.149E-02 0.433E-03
RMM: 20 -0.107571620916E+04 -0.13905E-03 -0.14597E-03 1491 0.152E-02 0.468E-03
RMM: 21 -0.107571634589E+04 -0.13673E-03 -0.14410E-03 1523 0.153E-02 0.529E-03
RMM: 22 -0.107571647979E+04 -0.13391E-03 -0.14033E-03 1465 0.145E-02 0.591E-03
RMM: 23 -0.107571661154E+04 -0.13175E-03 -0.13832E-03 1477 0.149E-02 0.650E-03
RMM: 24 -0.107571674184E+04 -0.13030E-03 -0.13739E-03 1485 0.151E-02 0.704E-03
RMM: 25 -0.107571686913E+04 -0.12728E-03 -0.13426E-03 1455 0.150E-02 0.758E-03
RMM: 26 -0.107571699510E+04 -0.12597E-03 -0.13342E-03 1540 0.160E-02 0.808E-03
RMM: 27 -0.107571711942E+04 -0.12433E-03 -0.13110E-03 1498 0.155E-02 0.860E-03
RMM: 28 -0.107571724216E+04 -0.12274E-03 -0.12972E-03 1493 0.156E-02 0.913E-03
RMM: 29 -0.107571736231E+04 -0.12015E-03 -0.12681E-03 1468 0.153E-02 0.967E-03
RMM: 30 -0.107571748161E+04 -0.11930E-03 -0.12663E-03 1479 0.161E-02 0.102E-02
RMM: 31 -0.107571759962E+04 -0.11801E-03 -0.12537E-03 1479 0.160E-02 0.107E-02
RMM: 32 -0.107571771649E+04 -0.11687E-03 -0.12412E-03 1475 0.157E-02 0.113E-02
RMM: 33 -0.107571783129E+04 -0.11480E-03 -0.12187E-03 1444 0.154E-02 0.118E-02
RMM: 34 -0.107571794518E+04 -0.11389E-03 -0.12072E-03 1451 0.156E-02 0.123E-02
RMM: 35 -0.107571805831E+04 -0.11313E-03 -0.12006E-03 1446 0.153E-02 0.128E-02
RMM: 36 -0.107571816871E+04 -0.11040E-03 -0.11701E-03 1422 0.147E-02 0.133E-02
RMM: 37 -0.107571827906E+04 -0.11035E-03 -0.11698E-03 1459 0.150E-02 0.138E-02
RMM: 38 -0.107571838744E+04 -0.10838E-03 -0.11537E-03 1433 0.149E-02 0.143E-02
RMM: 39 -0.107571849505E+04 -0.10761E-03 -0.11514E-03 1398 0.152E-02 0.148E-02
RMM: 40 -0.107571859983E+04 -0.10479E-03 -0.11332E-03 1411 0.157E-02 0.153E-02
RMM: 41 -0.107571870527E+04 -0.10544E-03 -0.11268E-03 1436 0.159E-02 0.159E-02
RMM: 42 -0.107571880942E+04 -0.10414E-03 -0.11122E-03 1418 0.153E-02 0.164E-02
RMM: 43 -0.107571891210E+04 -0.10268E-03 -0.10946E-03 1405 0.153E-02 0.169E-02
RMM: 44 -0.107571901447E+04 -0.10238E-03 -0.10988E-03 1459 0.160E-02 0.174E-02
RMM: 45 -0.107571911611E+04 -0.10164E-03 -0.10860E-03 1417 0.150E-02 0.179E-02
RMM: 46 -0.107571921506E+04 -0.98948E-04 -0.10546E-03 1401 0.146E-02 0.184E-02
RMM: 47 -0.107571931434E+04 -0.99278E-04 -0.10626E-03 1415 0.153E-02 0.188E-02
RMM: 48 -0.107571941217E+04 -0.97824E-04 -0.10479E-03 1408 0.151E-02 0.193E-02
RMM: 49 -0.107571951037E+04 -0.98202E-04 -0.10517E-03 1431 0.152E-02 0.197E-02
RMM: 50 -0.107571960608E+04 -0.95714E-04 -0.10195E-03 1360 0.144E-02 0.202E-02
RMM: 51 -0.107571970200E+04 -0.95921E-04 -0.10290E-03 1409 0.152E-02 0.207E-02
RMM: 52 -0.107571979639E+04 -0.94386E-04 -0.10090E-03 1370 0.146E-02 0.210E-02
RMM: 53 -0.107571989084E+04 -0.94453E-04 -0.10147E-03 1411 0.148E-02 0.213E-02
RMM: 54 -0.107571998363E+04 -0.92791E-04 -0.98992E-04 1359 0.140E-02
529 T= 696. E= -.10764066E+04 F= -.10757200E+04 E0= -.10756832E+04 EK= 0.13946E+02 SP= -.15E+02 SK= 0.25E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107552888907E+04 0.19100E+00 -0.13341E+00 3397 0.121E+00 0.359E-01
RMM: 2 -0.107553502426E+04 -0.61352E-02 -0.94194E-02 4201 0.346E-01 0.270E-01
RMM: 3 -0.107553568797E+04 -0.66371E-03 -0.19386E-02 4256 0.121E-01 0.164E-01
RMM: 4 -0.107553599311E+04 -0.30515E-03 -0.64735E-03 3573 0.560E-02 0.714E-02
RMM: 5 -0.107553608532E+04 -0.92208E-04 -0.32260E-03 3140 0.284E-02 0.490E-02
RMM: 6 -0.107553622246E+04 -0.13714E-03 -0.20762E-03 2498 0.175E-02 0.246E-02
RMM: 7 -0.107553642015E+04 -0.19769E-03 -0.20301E-03 2155 0.133E-02 0.919E-03
RMM: 8 -0.107553658439E+04 -0.16424E-03 -0.16858E-03 1949 0.971E-03 0.677E-03
RMM: 9 -0.107553675397E+04 -0.16958E-03 -0.17193E-03 1888 0.111E-02 0.553E-03
RMM: 10 -0.107553691733E+04 -0.16336E-03 -0.17076E-03 2328 0.175E-02 0.370E-03
RMM: 11 -0.107553707573E+04 -0.15840E-03 -0.16150E-03 1773 0.102E-02 0.208E-03
RMM: 12 -0.107553722467E+04 -0.14894E-03 -0.15594E-03 2083 0.145E-02 0.188E-03
RMM: 13 -0.107553737462E+04 -0.14995E-03 -0.15640E-03 1717 0.128E-02 0.200E-03
RMM: 14 -0.107553751116E+04 -0.13654E-03 -0.14300E-03 1480 0.134E-02 0.264E-03
RMM: 15 -0.107553765642E+04 -0.14526E-03 -0.15354E-03 1639 0.167E-02 0.298E-03
RMM: 16 -0.107553778999E+04 -0.13357E-03 -0.13984E-03 1525 0.145E-02 0.361E-03
RMM: 17 -0.107553792504E+04 -0.13505E-03 -0.14235E-03 1574 0.161E-02 0.429E-03
RMM: 18 -0.107553805424E+04 -0.12919E-03 -0.13612E-03 1542 0.164E-02 0.491E-03
RMM: 19 -0.107553818580E+04 -0.13156E-03 -0.13902E-03 1563 0.166E-02 0.543E-03
RMM: 20 -0.107553831133E+04 -0.12554E-03 -0.13272E-03 1509 0.151E-02 0.605E-03
RMM: 21 -0.107553843633E+04 -0.12500E-03 -0.13117E-03 1477 0.142E-02 0.653E-03
RMM: 22 -0.107553855643E+04 -0.12010E-03 -0.12694E-03 1647 0.153E-02 0.689E-03
RMM: 23 -0.107553867746E+04 -0.12103E-03 -0.12820E-03 1639 0.155E-02 0.727E-03
RMM: 24 -0.107553879436E+04 -0.11690E-03 -0.12418E-03 1554 0.150E-02 0.760E-03
RMM: 25 -0.107553890959E+04 -0.11522E-03 -0.12252E-03 1512 0.147E-02 0.805E-03
RMM: 26 -0.107553902202E+04 -0.11244E-03 -0.11948E-03 1510 0.151E-02 0.850E-03
RMM: 27 -0.107553913494E+04 -0.11292E-03 -0.12046E-03 1528 0.157E-02 0.899E-03
RMM: 28 -0.107553924364E+04 -0.10870E-03 -0.11610E-03 1447 0.152E-02 0.943E-03
RMM: 29 -0.107553935258E+04 -0.10894E-03 -0.11673E-03 1523 0.163E-02 0.995E-03
RMM: 30 -0.107553945939E+04 -0.10680E-03 -0.11419E-03 1510 0.158E-02 0.104E-02
RMM: 31 -0.107553956575E+04 -0.10637E-03 -0.11374E-03 1493 0.155E-02 0.109E-02
RMM: 32 -0.107553966864E+04 -0.10289E-03 -0.10974E-03 1435 0.149E-02 0.114E-02
RMM: 33 -0.107553977101E+04 -0.10237E-03 -0.10974E-03 1487 0.159E-02 0.119E-02
RMM: 34 -0.107553987317E+04 -0.10216E-03 -0.11017E-03 1515 0.164E-02 0.124E-02
RMM: 35 -0.107553997398E+04 -0.10081E-03 -0.10772E-03 1459 0.152E-02 0.129E-02
RMM: 36 -0.107554007310E+04 -0.99120E-04 -0.10687E-03 1484 0.157E-02 0.133E-02
RMM: 37 -0.107554017091E+04 -0.97805E-04 -0.10481E-03 1433 0.155E-02 0.138E-02
RMM: 38 -0.107554026749E+04 -0.96584E-04 -0.10380E-03 1441 0.156E-02 0.143E-02
RMM: 39 -0.107554036444E+04 -0.96949E-04 -0.10427E-03 1480 0.155E-02 0.148E-02
RMM: 40 -0.107554045863E+04 -0.94184E-04 -0.10059E-03 1430 0.145E-02 0.152E-02
RMM: 41 -0.107554055143E+04 -0.92805E-04 -0.99580E-04 1399 0.149E-02
530 T= 694. E= -.10763897E+04 F= -.10755406E+04 E0= -.10755023E+04 EK= 0.13915E+02 SP= -.15E+02 SK= 0.26E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107560320913E+04 -0.62751E-01 -0.11160E+00 3407 0.113E+00 0.318E-01
RMM: 2 -0.107560872373E+04 -0.55146E-02 -0.85766E-02 4207 0.328E-01 0.235E-01
RMM: 3 -0.107560981164E+04 -0.10879E-02 -0.18399E-02 4282 0.116E-01 0.177E-01
RMM: 4 -0.107561002138E+04 -0.20974E-03 -0.63863E-03 3762 0.532E-02 0.104E-01
RMM: 5 -0.107561008066E+04 -0.59285E-04 -0.35061E-03 3176 0.300E-02 0.394E-02
RMM: 6 -0.107561025303E+04 -0.17236E-03 -0.21525E-03 2372 0.165E-02 0.229E-02
RMM: 7 -0.107561046236E+04 -0.20934E-03 -0.22017E-03 2115 0.121E-02 0.116E-02
RMM: 8 -0.107561063167E+04 -0.16931E-03 -0.17609E-03 1975 0.954E-03 0.643E-03
RMM: 9 -0.107561081335E+04 -0.18167E-03 -0.18439E-03 1897 0.996E-03 0.362E-03
RMM: 10 -0.107561097662E+04 -0.16328E-03 -0.16875E-03 2054 0.134E-02 0.243E-03
RMM: 11 -0.107561114150E+04 -0.16488E-03 -0.16913E-03 1817 0.109E-02 0.218E-03
RMM: 12 -0.107561128871E+04 -0.14721E-03 -0.15396E-03 1775 0.133E-02 0.233E-03
RMM: 13 -0.107561144187E+04 -0.15316E-03 -0.16006E-03 1531 0.138E-02 0.323E-03
RMM: 14 -0.107561158243E+04 -0.14056E-03 -0.14704E-03 1517 0.151E-02 0.343E-03
RMM: 15 -0.107561173003E+04 -0.14760E-03 -0.15430E-03 1557 0.151E-02 0.379E-03
RMM: 16 -0.107561186300E+04 -0.13297E-03 -0.13980E-03 1541 0.141E-02 0.405E-03
RMM: 17 -0.107561199901E+04 -0.13601E-03 -0.14214E-03 1512 0.135E-02 0.415E-03
RMM: 18 -0.107561212453E+04 -0.12552E-03 -0.13253E-03 1510 0.144E-02 0.439E-03
RMM: 19 -0.107561225111E+04 -0.12658E-03 -0.13306E-03 1454 0.138E-02 0.509E-03
RMM: 20 -0.107561237000E+04 -0.11889E-03 -0.12559E-03 1477 0.141E-02 0.591E-03
RMM: 21 -0.107561248801E+04 -0.11801E-03 -0.12450E-03 1457 0.138E-02 0.651E-03
RMM: 22 -0.107561259920E+04 -0.11119E-03 -0.11857E-03 1475 0.148E-02 0.722E-03
RMM: 23 -0.107561271136E+04 -0.11216E-03 -0.12001E-03 1500 0.157E-02 0.791E-03
RMM: 24 -0.107561281761E+04 -0.10625E-03 -0.11360E-03 1507 0.152E-02 0.857E-03
RMM: 25 -0.107561292240E+04 -0.10479E-03 -0.11215E-03 1458 0.149E-02 0.923E-03
RMM: 26 -0.107561302284E+04 -0.10044E-03 -0.10761E-03 1475 0.155E-02 0.987E-03
RMM: 27 -0.107561312236E+04 -0.99521E-04 -0.10680E-03 1470 0.153E-02 0.105E-02
RMM: 28 -0.107561321795E+04 -0.95590E-04 -0.10284E-03 1454 0.151E-02 0.111E-02
RMM: 29 -0.107561331168E+04 -0.93724E-04 -0.10103E-03 1436 0.151E-02 0.118E-02
RMM: 30 -0.107561340436E+04 -0.92680E-04 -0.10136E-03 1494 0.160E-02 0.124E-02
RMM: 31 -0.107561349293E+04 -0.88577E-04 -0.96956E-04 1384 0.145E-02
531 T= 704. E= -.10764001E+04 F= -.10756135E+04 E0= -.10755737E+04 EK= 0.14113E+02 SP= -.15E+02 SK= 0.27E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107586875342E+04 -0.25535E+00 -0.12831E+00 3372 0.117E+00 0.363E-01
RMM: 2 -0.107587453812E+04 -0.57847E-02 -0.94939E-02 4222 0.336E-01 0.273E-01
RMM: 3 -0.107587580932E+04 -0.12712E-02 -0.22165E-02 4283 0.122E-01 0.213E-01
RMM: 4 -0.107587589385E+04 -0.84535E-04 -0.75885E-03 3729 0.556E-02 0.121E-01
RMM: 5 -0.107587604239E+04 -0.14854E-03 -0.42525E-03 3178 0.317E-02 0.419E-02
RMM: 6 -0.107587629617E+04 -0.25378E-03 -0.29086E-03 2586 0.179E-02 0.282E-02
RMM: 7 -0.107587653872E+04 -0.24255E-03 -0.27127E-03 2090 0.123E-02 0.165E-02
RMM: 8 -0.107587677636E+04 -0.23764E-03 -0.24406E-03 2064 0.111E-02 0.607E-03
RMM: 9 -0.107587701683E+04 -0.24046E-03 -0.24237E-03 1925 0.998E-03 0.431E-03
RMM: 10 -0.107587723897E+04 -0.22215E-03 -0.22549E-03 1962 0.122E-02 0.232E-03
RMM: 11 -0.107587746441E+04 -0.22544E-03 -0.23129E-03 2155 0.143E-02 0.216E-03
RMM: 12 -0.107587767086E+04 -0.20645E-03 -0.21187E-03 1820 0.119E-02 0.228E-03
RMM: 13 -0.107587787785E+04 -0.20699E-03 -0.21249E-03 1548 0.126E-02 0.318E-03
RMM: 14 -0.107587807308E+04 -0.19523E-03 -0.20243E-03 1564 0.155E-02 0.464E-03
RMM: 15 -0.107587827267E+04 -0.19959E-03 -0.20730E-03 1601 0.162E-02 0.554E-03
RMM: 16 -0.107587846099E+04 -0.18833E-03 -0.19514E-03 1568 0.149E-02 0.675E-03
RMM: 17 -0.107587864908E+04 -0.18808E-03 -0.19487E-03 1521 0.150E-02 0.780E-03
RMM: 18 -0.107587882824E+04 -0.17916E-03 -0.18619E-03 1527 0.162E-02 0.883E-03
RMM: 19 -0.107587901035E+04 -0.18212E-03 -0.19016E-03 1576 0.162E-02 0.986E-03
RMM: 20 -0.107587918217E+04 -0.17181E-03 -0.17789E-03 1456 0.141E-02 0.109E-02
RMM: 21 -0.107587935561E+04 -0.17345E-03 -0.18098E-03 1561 0.157E-02 0.119E-02
RMM: 22 -0.107587952089E+04 -0.16528E-03 -0.17219E-03 1465 0.149E-02 0.129E-02
RMM: 23 -0.107587968617E+04 -0.16528E-03 -0.17241E-03 1499 0.157E-02 0.139E-02
RMM: 24 -0.107587984609E+04 -0.15992E-03 -0.16744E-03 1528 0.160E-02 0.149E-02
RMM: 25 -0.107588000528E+04 -0.15919E-03 -0.16658E-03 1492 0.158E-02 0.158E-02
RMM: 26 -0.107588015869E+04 -0.15341E-03 -0.16056E-03 1491 0.158E-02 0.168E-02
RMM: 27 -0.107588031369E+04 -0.15501E-03 -0.16258E-03 1519 0.163E-02 0.177E-02
RMM: 28 -0.107588046179E+04 -0.14810E-03 -0.15530E-03 1470 0.153E-02 0.186E-02
RMM: 29 -0.107588060921E+04 -0.14741E-03 -0.15481E-03 1470 0.155E-02 0.195E-02
RMM: 30 -0.107588075267E+04 -0.14346E-03 -0.15046E-03 1476 0.156E-02 0.204E-02
RMM: 31 -0.107588089474E+04 -0.14207E-03 -0.14926E-03 1449 0.157E-02 0.212E-02
RMM: 32 -0.107588103403E+04 -0.13929E-03 -0.14692E-03 1499 0.162E-02 0.221E-02
RMM: 33 -0.107588117199E+04 -0.13796E-03 -0.14523E-03 1460 0.154E-02 0.230E-02
RMM: 34 -0.107588130572E+04 -0.13373E-03 -0.14060E-03 1442 0.150E-02 0.238E-02
RMM: 35 -0.107588143942E+04 -0.13370E-03 -0.14101E-03 1455 0.155E-02 0.247E-02
RMM: 36 -0.107588156804E+04 -0.12863E-03 -0.13572E-03 1412 0.151E-02 0.255E-02
RMM: 37 -0.107588169710E+04 -0.12905E-03 -0.13662E-03 1459 0.162E-02 0.263E-02
RMM: 38 -0.107588182329E+04 -0.12620E-03 -0.13393E-03 1471 0.160E-02 0.271E-02
RMM: 39 -0.107588194826E+04 -0.12497E-03 -0.13196E-03 1428 0.151E-02 0.279E-02
RMM: 40 -0.107588206923E+04 -0.12097E-03 -0.12782E-03 1416 0.153E-02 0.287E-02
RMM: 41 -0.107588219034E+04 -0.12111E-03 -0.12847E-03 1458 0.159E-02 0.295E-02
RMM: 42 -0.107588230871E+04 -0.11838E-03 -0.12580E-03 1443 0.159E-02 0.302E-02
RMM: 43 -0.107588242526E+04 -0.11655E-03 -0.12383E-03 1416 0.156E-02 0.310E-02
RMM: 44 -0.107588254103E+04 -0.11577E-03 -0.12322E-03 1427 0.161E-02 0.317E-02
RMM: 45 -0.107588265471E+04 -0.11368E-03 -0.12077E-03 1446 0.153E-02 0.325E-02
RMM: 46 -0.107588276509E+04 -0.11039E-03 -0.11730E-03 1390 0.150E-02 0.332E-02
RMM: 47 -0.107588287798E+04 -0.11289E-03 -0.11949E-03 1464 0.160E-02 0.341E-02
RMM: 48 -0.107588298395E+04 -0.10597E-03 -0.11315E-03 1366 0.142E-02 0.347E-02
RMM: 49 -0.107588309174E+04 -0.10779E-03 -0.11393E-03 1414 0.154E-02 0.355E-02
RMM: 50 -0.107588319682E+04 -0.10507E-03 -0.11196E-03 1383 0.152E-02 0.362E-02
RMM: 51 -0.107588330137E+04 -0.10455E-03 -0.11212E-03 1433 0.154E-02 0.370E-02
RMM: 52 -0.107588340246E+04 -0.10109E-03 -0.10704E-03 1351 0.142E-02 0.376E-02
RMM: 53 -0.107588350913E+04 -0.10667E-03 -0.10855E-03 1484 0.154E-02 0.390E-02
RMM: 54 -0.107588362123E+04 -0.11210E-03 -0.10694E-03 1603 0.147E-02 0.414E-02
RMM: 55 -0.107588372343E+04 -0.10220E-03 -0.10487E-03 1511 0.144E-02 0.428E-02
RMM: 56 -0.107588381939E+04 -0.95964E-04 -0.10392E-03 1467 0.150E-02 0.434E-02
RMM: 57 -0.107588388736E+04 -0.67966E-04 -0.10050E-03 1507 0.149E-02 0.407E-02
RMM: 58 -0.107588397826E+04 -0.90902E-04 -0.10078E-03 1506 0.152E-02 0.410E-02
RMM: 59 -0.107588406834E+04 -0.90079E-04 -0.98370E-04 1497 0.149E-02
532 T= 724. E= -.10764204E+04 F= -.10758841E+04 E0= -.10758443E+04 EK= 0.14501E+02 SP= -.15E+02 SK= 0.25E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107606869666E+04 -0.18472E+00 -0.14474E+00 3379 0.124E+00 0.373E-01
RMM: 2 -0.107607454123E+04 -0.58446E-02 -0.10157E-01 4224 0.350E-01 0.275E-01
RMM: 3 -0.107607574674E+04 -0.12055E-02 -0.22393E-02 4310 0.124E-01 0.217E-01
RMM: 4 -0.107607577646E+04 -0.29719E-04 -0.72123E-03 3805 0.571E-02 0.134E-01
RMM: 5 -0.107607580788E+04 -0.31420E-04 -0.41194E-03 3194 0.351E-02 0.496E-02
RMM: 6 -0.107607596920E+04 -0.16132E-03 -0.22645E-03 2564 0.184E-02 0.299E-02
RMM: 7 -0.107607617682E+04 -0.20762E-03 -0.22138E-03 2310 0.137E-02 0.128E-02
RMM: 8 -0.107607635536E+04 -0.17854E-03 -0.18577E-03 2015 0.972E-03 0.829E-03
RMM: 9 -0.107607653579E+04 -0.18043E-03 -0.18456E-03 1926 0.977E-03 0.519E-03
RMM: 10 -0.107607671201E+04 -0.17622E-03 -0.18010E-03 2101 0.127E-02 0.320E-03
RMM: 11 -0.107607688201E+04 -0.16999E-03 -0.17381E-03 1860 0.105E-02 0.211E-03
RMM: 12 -0.107607704492E+04 -0.16291E-03 -0.16895E-03 1847 0.128E-02 0.218E-03
RMM: 13 -0.107607720711E+04 -0.16219E-03 -0.16880E-03 1516 0.134E-02 0.315E-03
RMM: 14 -0.107607736736E+04 -0.16025E-03 -0.16764E-03 1603 0.159E-02 0.386E-03
RMM: 15 -0.107607752669E+04 -0.15934E-03 -0.16537E-03 1496 0.140E-02 0.446E-03
RMM: 16 -0.107607767991E+04 -0.15322E-03 -0.15990E-03 1523 0.141E-02 0.527E-03
RMM: 17 -0.107607783246E+04 -0.15255E-03 -0.15803E-03 1465 0.134E-02 0.585E-03
RMM: 18 -0.107607797866E+04 -0.14620E-03 -0.15207E-03 1452 0.142E-02 0.637E-03
RMM: 19 -0.107607812678E+04 -0.14812E-03 -0.15620E-03 1569 0.163E-02 0.700E-03
RMM: 20 -0.107607826956E+04 -0.14278E-03 -0.14907E-03 1459 0.141E-02 0.758E-03
RMM: 21 -0.107607841135E+04 -0.14179E-03 -0.14860E-03 1477 0.145E-02 0.817E-03
RMM: 22 -0.107607854881E+04 -0.13746E-03 -0.14363E-03 1436 0.143E-02 0.895E-03
RMM: 23 -0.107607868553E+04 -0.13672E-03 -0.14374E-03 1502 0.151E-02 0.942E-03
RMM: 24 -0.107607881955E+04 -0.13402E-03 -0.14092E-03 1475 0.149E-02 0.101E-02
RMM: 25 -0.107607895141E+04 -0.13186E-03 -0.13843E-03 1440 0.144E-02 0.108E-02
RMM: 26 -0.107607907999E+04 -0.12858E-03 -0.13555E-03 1436 0.148E-02 0.115E-02
RMM: 27 -0.107607920727E+04 -0.12729E-03 -0.13425E-03 1437 0.150E-02 0.121E-02
RMM: 28 -0.107607933354E+04 -0.12627E-03 -0.13398E-03 1507 0.159E-02 0.128E-02
RMM: 29 -0.107607945629E+04 -0.12275E-03 -0.12914E-03 1409 0.141E-02 0.135E-02
RMM: 30 -0.107607957659E+04 -0.12030E-03 -0.12741E-03 1427 0.154E-02 0.142E-02
RMM: 31 -0.107607969695E+04 -0.12035E-03 -0.12809E-03 1496 0.163E-02 0.148E-02
RMM: 32 -0.107607981423E+04 -0.11728E-03 -0.12459E-03 1434 0.153E-02 0.155E-02
RMM: 33 -0.107607993039E+04 -0.11616E-03 -0.12306E-03 1436 0.150E-02 0.162E-02
RMM: 34 -0.107608004369E+04 -0.11331E-03 -0.12047E-03 1458 0.153E-02 0.168E-02
RMM: 35 -0.107608015581E+04 -0.11211E-03 -0.11904E-03 1428 0.150E-02 0.175E-02
RMM: 36 -0.107608026658E+04 -0.11077E-03 -0.11802E-03 1434 0.152E-02 0.181E-02
RMM: 37 -0.107608037522E+04 -0.10865E-03 -0.11603E-03 1437 0.152E-02 0.187E-02
RMM: 38 -0.107608048198E+04 -0.10675E-03 -0.11377E-03 1418 0.151E-02 0.194E-02
RMM: 39 -0.107608058749E+04 -0.10552E-03 -0.11404E-03 1465 0.158E-02 0.199E-02
RMM: 40 -0.107608069037E+04 -0.10288E-03 -0.10952E-03 1386 0.146E-02 0.206E-02
RMM: 41 -0.107608079252E+04 -0.10215E-03 -0.10960E-03 1433 0.155E-02 0.212E-02
RMM: 42 -0.107608089294E+04 -0.10042E-03 -0.10758E-03 1426 0.151E-02 0.218E-02
RMM: 43 -0.107608099184E+04 -0.98906E-04 -0.10575E-03 1420 0.149E-02 0.224E-02
RMM: 44 -0.107608108913E+04 -0.97282E-04 -0.10425E-03 1396 0.151E-02 0.230E-02
RMM: 45 -0.107608118472E+04 -0.95589E-04 -0.10264E-03 1405 0.148E-02 0.236E-02
RMM: 46 -0.107608127847E+04 -0.93755E-04 -0.10042E-03 1398 0.147E-02 0.241E-02
RMM: 47 -0.107608137120E+04 -0.92734E-04 -0.99340E-04 1416 0.150E-02
533 T= 739. E= -.10764369E+04 F= -.10760814E+04 E0= -.10760421E+04 EK= 0.14813E+02 SP= -.15E+02 SK= 0.20E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107595948857E+04 0.12179E+00 -0.14394E+00 3361 0.126E+00 0.341E-01
RMM: 2 -0.107596580672E+04 -0.63181E-02 -0.94779E-02 4189 0.356E-01 0.250E-01
RMM: 3 -0.107596691223E+04 -0.11055E-02 -0.19021E-02 4250 0.125E-01 0.192E-01
RMM: 4 -0.107596699373E+04 -0.81506E-04 -0.65315E-03 3786 0.562E-02 0.118E-01
RMM: 5 -0.107596700548E+04 -0.11746E-04 -0.33885E-03 3179 0.326E-02 0.419E-02
RMM: 6 -0.107596714787E+04 -0.14240E-03 -0.18898E-03 2438 0.172E-02 0.254E-02
RMM: 7 -0.107596732316E+04 -0.17529E-03 -0.18550E-03 2223 0.127E-02 0.111E-02
RMM: 8 -0.107596746562E+04 -0.14246E-03 -0.14839E-03 1966 0.928E-03 0.723E-03
RMM: 9 -0.107596761414E+04 -0.14852E-03 -0.15184E-03 1899 0.917E-03 0.456E-03
RMM: 10 -0.107596775091E+04 -0.13676E-03 -0.14028E-03 2052 0.119E-02 0.271E-03
RMM: 11 -0.107596788485E+04 -0.13395E-03 -0.13755E-03 1815 0.100E-02 0.178E-03
RMM: 12 -0.107596800756E+04 -0.12271E-03 -0.12864E-03 1766 0.129E-02 0.180E-03
RMM: 13 -0.107596813105E+04 -0.12349E-03 -0.13011E-03 1487 0.134E-02 0.239E-03
RMM: 14 -0.107596824712E+04 -0.11607E-03 -0.12353E-03 1544 0.153E-02 0.303E-03
RMM: 15 -0.107596836395E+04 -0.11683E-03 -0.12365E-03 1469 0.140E-02 0.363E-03
RMM: 16 -0.107596847246E+04 -0.10851E-03 -0.11673E-03 1516 0.146E-02 0.426E-03
RMM: 17 -0.107596858199E+04 -0.10953E-03 -0.11533E-03 1429 0.140E-02 0.493E-03
RMM: 18 -0.107596868473E+04 -0.10274E-03 -0.10900E-03 1433 0.145E-02 0.553E-03
RMM: 19 -0.107596878764E+04 -0.10291E-03 -0.10983E-03 1461 0.149E-02 0.618E-03
RMM: 20 -0.107596888521E+04 -0.97570E-04 -0.10419E-03 1430 0.145E-02 0.679E-03
RMM: 21 -0.107596898162E+04 -0.96412E-04 -0.10306E-03 1411 0.145E-02 0.740E-03
RMM: 22 -0.107596907462E+04 -0.93003E-04 -0.10037E-03 1453 0.151E-02 0.800E-03
RMM: 23 -0.107596916556E+04 -0.90936E-04 -0.97474E-04 1442 0.147E-02
534 T= 740. E= -.10764232E+04 F= -.10759692E+04 E0= -.10759295E+04 EK= 0.14828E+02 SP= -.15E+02 SK= 0.14E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107569664840E+04 0.27243E+00 -0.16575E+00 3389 0.132E+00 0.415E-01
RMM: 2 -0.107570279323E+04 -0.61448E-02 -0.10362E-01 4170 0.368E-01 0.296E-01
RMM: 3 -0.107570355642E+04 -0.76319E-03 -0.22098E-02 4164 0.131E-01 0.152E-01
RMM: 4 -0.107570392892E+04 -0.37250E-03 -0.62549E-03 3796 0.579E-02 0.748E-02
RMM: 5 -0.107570409163E+04 -0.16272E-03 -0.29147E-03 2956 0.264E-02 0.520E-02
RMM: 6 -0.107570419214E+04 -0.10051E-03 -0.19239E-03 2428 0.182E-02 0.191E-02
RMM: 7 -0.107570437938E+04 -0.18724E-03 -0.19464E-03 2145 0.136E-02 0.898E-03
RMM: 8 -0.107570454200E+04 -0.16262E-03 -0.16464E-03 1986 0.109E-02 0.593E-03
RMM: 9 -0.107570470932E+04 -0.16732E-03 -0.17011E-03 1928 0.117E-02 0.388E-03
RMM: 10 -0.107570486932E+04 -0.16000E-03 -0.16776E-03 2274 0.165E-02 0.253E-03
RMM: 11 -0.107570502775E+04 -0.15843E-03 -0.16345E-03 1927 0.117E-02 0.205E-03
RMM: 12 -0.107570517790E+04 -0.15015E-03 -0.15572E-03 1896 0.135E-02 0.185E-03
RMM: 13 -0.107570532871E+04 -0.15082E-03 -0.15696E-03 1680 0.144E-02 0.185E-03
RMM: 14 -0.107570547649E+04 -0.14778E-03 -0.15585E-03 1682 0.166E-02 0.213E-03
RMM: 15 -0.107570562738E+04 -0.15089E-03 -0.15792E-03 1593 0.150E-02 0.317E-03
RMM: 16 -0.107570577223E+04 -0.14485E-03 -0.15077E-03 1558 0.137E-02 0.326E-03
RMM: 17 -0.107570591579E+04 -0.14355E-03 -0.14952E-03 1660 0.139E-02 0.266E-03
RMM: 18 -0.107570605727E+04 -0.14148E-03 -0.14888E-03 1593 0.149E-02 0.284E-03
RMM: 19 -0.107570619846E+04 -0.14119E-03 -0.14813E-03 1550 0.140E-02 0.334E-03
RMM: 20 -0.107570633444E+04 -0.13597E-03 -0.14237E-03 1467 0.134E-02 0.391E-03
RMM: 21 -0.107570646901E+04 -0.13457E-03 -0.14192E-03 1514 0.149E-02 0.471E-03
RMM: 22 -0.107570660201E+04 -0.13300E-03 -0.14094E-03 1508 0.155E-02 0.543E-03
RMM: 23 -0.107570673435E+04 -0.13234E-03 -0.13938E-03 1516 0.150E-02 0.618E-03
RMM: 24 -0.107570686362E+04 -0.12927E-03 -0.13603E-03 1457 0.148E-02 0.690E-03
RMM: 25 -0.107570699183E+04 -0.12821E-03 -0.13554E-03 1486 0.156E-02 0.759E-03
RMM: 26 -0.107570711957E+04 -0.12774E-03 -0.13551E-03 1513 0.157E-02 0.831E-03
RMM: 27 -0.107570724380E+04 -0.12423E-03 -0.13075E-03 1426 0.145E-02 0.902E-03
RMM: 28 -0.107570736693E+04 -0.12313E-03 -0.13042E-03 1463 0.158E-02 0.973E-03
RMM: 29 -0.107570749037E+04 -0.12344E-03 -0.13104E-03 1491 0.158E-02 0.105E-02
RMM: 30 -0.107570760938E+04 -0.11901E-03 -0.12579E-03 1413 0.144E-02 0.112E-02
RMM: 31 -0.107570772721E+04 -0.11784E-03 -0.12463E-03 1414 0.153E-02 0.119E-02
RMM: 32 -0.107570784474E+04 -0.11752E-03 -0.12545E-03 1493 0.165E-02 0.126E-02
RMM: 33 -0.107570795974E+04 -0.11500E-03 -0.12235E-03 1434 0.152E-02 0.133E-02
RMM: 34 -0.107570807326E+04 -0.11352E-03 -0.12025E-03 1435 0.152E-02 0.140E-02
RMM: 35 -0.107570818688E+04 -0.11362E-03 -0.12096E-03 1488 0.159E-02 0.146E-02
RMM: 36 -0.107570829770E+04 -0.11081E-03 -0.11795E-03 1430 0.150E-02 0.153E-02
RMM: 37 -0.107570840735E+04 -0.10966E-03 -0.11681E-03 1437 0.150E-02 0.159E-02
RMM: 38 -0.107570851615E+04 -0.10880E-03 -0.11557E-03 1438 0.152E-02 0.166E-02
RMM: 39 -0.107570862224E+04 -0.10608E-03 -0.11291E-03 1383 0.148E-02 0.172E-02
RMM: 40 -0.107570872801E+04 -0.10578E-03 -0.11328E-03 1462 0.156E-02 0.179E-02
RMM: 41 -0.107570883164E+04 -0.10363E-03 -0.11027E-03 1392 0.148E-02 0.186E-02
RMM: 42 -0.107570893376E+04 -0.10212E-03 -0.10942E-03 1421 0.154E-02 0.192E-02
RMM: 43 -0.107570903504E+04 -0.10128E-03 -0.10832E-03 1413 0.156E-02 0.199E-02
RMM: 44 -0.107570913543E+04 -0.10039E-03 -0.10723E-03 1399 0.154E-02 0.205E-02
RMM: 45 -0.107570923429E+04 -0.98859E-04 -0.10584E-03 1409 0.151E-02 0.212E-02
RMM: 46 -0.107570933270E+04 -0.98408E-04 -0.10540E-03 1407 0.151E-02 0.218E-02
RMM: 47 -0.107570942870E+04 -0.96003E-04 -0.10297E-03 1389 0.145E-02 0.224E-02
RMM: 48 -0.107570952415E+04 -0.95447E-04 -0.10291E-03 1401 0.151E-02 0.230E-02
RMM: 49 -0.107570961712E+04 -0.92975E-04 -0.99349E-04 1349 0.145E-02
535 T= 733. E= -.10763942E+04 F= -.10757096E+04 E0= -.10756695E+04 EK= 0.14691E+02 SP= -.15E+02 SK= 0.97E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107560979858E+04 0.99726E-01 -0.13538E+00 3395 0.123E+00 0.363E-01
RMM: 2 -0.107561624730E+04 -0.64487E-02 -0.94982E-02 4167 0.346E-01 0.268E-01
RMM: 3 -0.107561751991E+04 -0.12726E-02 -0.20330E-02 4216 0.124E-01 0.186E-01
RMM: 4 -0.107561802103E+04 -0.50112E-03 -0.75795E-03 3746 0.581E-02 0.107E-01
RMM: 5 -0.107561793862E+04 0.82411E-04 -0.34498E-03 3189 0.301E-02 0.455E-02
RMM: 6 -0.107561811246E+04 -0.17384E-03 -0.24208E-03 2404 0.175E-02 0.247E-02
RMM: 7 -0.107561833546E+04 -0.22300E-03 -0.23316E-03 2237 0.137E-02 0.138E-02
RMM: 8 -0.107561853310E+04 -0.19764E-03 -0.20703E-03 1988 0.999E-03 0.677E-03
RMM: 9 -0.107561873572E+04 -0.20262E-03 -0.20416E-03 1917 0.114E-02 0.393E-03
RMM: 10 -0.107561893945E+04 -0.20374E-03 -0.20963E-03 2207 0.160E-02 0.280E-03
RMM: 11 -0.107561913345E+04 -0.19400E-03 -0.19683E-03 1832 0.105E-02 0.236E-03
RMM: 12 -0.107561932297E+04 -0.18952E-03 -0.19498E-03 1840 0.131E-02 0.233E-03
RMM: 13 -0.107561950796E+04 -0.18499E-03 -0.19146E-03 1540 0.136E-02 0.307E-03
RMM: 14 -0.107561969327E+04 -0.18531E-03 -0.19222E-03 1582 0.162E-02 0.436E-03
RMM: 15 -0.107561987715E+04 -0.18388E-03 -0.18962E-03 1492 0.142E-02 0.563E-03
RMM: 16 -0.107562005484E+04 -0.17769E-03 -0.18346E-03 1428 0.126E-02 0.613E-03
RMM: 17 -0.107562022914E+04 -0.17430E-03 -0.17884E-03 1384 0.130E-02 0.804E-03
RMM: 18 -0.107562039906E+04 -0.16992E-03 -0.17925E-03 1612 0.156E-02 0.678E-03
RMM: 19 -0.107562056779E+04 -0.16873E-03 -0.17739E-03 1727 0.152E-02 0.609E-03
RMM: 20 -0.107562073491E+04 -0.16711E-03 -0.17410E-03 1533 0.143E-02 0.661E-03
RMM: 21 -0.107562089862E+04 -0.16372E-03 -0.17013E-03 1506 0.139E-02 0.768E-03
RMM: 22 -0.107562105851E+04 -0.15989E-03 -0.16643E-03 1439 0.139E-02 0.848E-03
RMM: 23 -0.107562121698E+04 -0.15847E-03 -0.16613E-03 1519 0.154E-02 0.937E-03
RMM: 24 -0.107562137314E+04 -0.15616E-03 -0.16361E-03 1548 0.146E-02 0.101E-02
RMM: 25 -0.107562152451E+04 -0.15137E-03 -0.15798E-03 1434 0.135E-02 0.110E-02
RMM: 26 -0.107562167348E+04 -0.14897E-03 -0.15582E-03 1459 0.150E-02 0.120E-02
RMM: 27 -0.107562182203E+04 -0.14854E-03 -0.15625E-03 1490 0.157E-02 0.130E-02
RMM: 28 -0.107562196746E+04 -0.14544E-03 -0.15224E-03 1430 0.146E-02 0.139E-02
RMM: 29 -0.107562210929E+04 -0.14183E-03 -0.14884E-03 1434 0.145E-02 0.148E-02
RMM: 30 -0.107562224925E+04 -0.13996E-03 -0.14729E-03 1471 0.153E-02 0.157E-02
RMM: 31 -0.107562238710E+04 -0.13785E-03 -0.14537E-03 1456 0.151E-02 0.166E-02
RMM: 32 -0.107562252156E+04 -0.13446E-03 -0.14105E-03 1418 0.147E-02 0.176E-02
RMM: 33 -0.107562265472E+04 -0.13316E-03 -0.14079E-03 1451 0.160E-02 0.185E-02
RMM: 34 -0.107562278616E+04 -0.13144E-03 -0.13889E-03 1464 0.157E-02 0.194E-02
RMM: 35 -0.107562291337E+04 -0.12722E-03 -0.13418E-03 1395 0.148E-02 0.203E-02
RMM: 36 -0.107562304047E+04 -0.12710E-03 -0.13456E-03 1478 0.160E-02 0.211E-02
RMM: 37 -0.107562316414E+04 -0.12366E-03 -0.13063E-03 1424 0.152E-02 0.221E-02
RMM: 38 -0.107562328642E+04 -0.12229E-03 -0.12989E-03 1461 0.157E-02 0.229E-02
RMM: 39 -0.107562340594E+04 -0.11951E-03 -0.12650E-03 1445 0.151E-02 0.238E-02
RMM: 40 -0.107562352415E+04 -0.11822E-03 -0.12523E-03 1445 0.154E-02 0.246E-02
RMM: 41 -0.107562363983E+04 -0.11568E-03 -0.12303E-03 1424 0.153E-02 0.254E-02
RMM: 42 -0.107562375481E+04 -0.11498E-03 -0.12191E-03 1443 0.151E-02 0.263E-02
RMM: 43 -0.107562386645E+04 -0.11164E-03 -0.11781E-03 1400 0.144E-02 0.272E-02
RMM: 44 -0.107562397679E+04 -0.11034E-03 -0.11705E-03 1411 0.151E-02 0.281E-02
RMM: 45 -0.107562408560E+04 -0.10880E-03 -0.11511E-03 1394 0.149E-02 0.290E-02
RMM: 46 -0.107562419187E+04 -0.10627E-03 -0.11305E-03 1371 0.150E-02 0.299E-02
RMM: 47 -0.107562429690E+04 -0.10503E-03 -0.11019E-03 1364 0.148E-02 0.310E-02
RMM: 48 -0.107562440047E+04 -0.10357E-03 -0.11065E-03 1424 0.156E-02 0.318E-02
RMM: 49 -0.107562450250E+04 -0.10203E-03 -0.10804E-03 1382 0.147E-02 0.328E-02
RMM: 50 -0.107562460158E+04 -0.99080E-04 -0.10573E-03 1377 0.149E-02 0.336E-02
RMM: 51 -0.107562470008E+04 -0.98504E-04 -0.10546E-03 1407 0.152E-02 0.344E-02
RMM: 52 -0.107562479608E+04 -0.96001E-04 -0.10217E-03 1374 0.142E-02 0.353E-02
RMM: 53 -0.107562489023E+04 -0.94148E-04 -0.10078E-03 1371 0.143E-02 0.361E-02
RMM: 54 -0.107562498217E+04 -0.91942E-04 -0.98312E-04 1371 0.145E-02
536 T= 732. E= -.10764114E+04 F= -.10756250E+04 E0= -.10755826E+04 EK= 0.14667E+02 SP= -.15E+02 SK= 0.65E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107558105843E+04 0.43832E-01 -0.11974E+00 3364 0.117E+00 0.306E-01
RMM: 2 -0.107558718056E+04 -0.61221E-02 -0.81796E-02 4164 0.330E-01 0.220E-01
RMM: 3 -0.107558851847E+04 -0.13379E-02 -0.17697E-02 4199 0.115E-01 0.148E-01
RMM: 4 -0.107558905702E+04 -0.53854E-03 -0.66102E-03 3727 0.523E-02 0.899E-02
RMM: 5 -0.107558908452E+04 -0.27505E-04 -0.34495E-03 3082 0.272E-02 0.343E-02
RMM: 6 -0.107558928708E+04 -0.20256E-03 -0.23300E-03 2287 0.161E-02 0.197E-02
RMM: 7 -0.107558950854E+04 -0.22145E-03 -0.22954E-03 2088 0.125E-02 0.116E-02
RMM: 8 -0.107558969056E+04 -0.18202E-03 -0.18837E-03 2007 0.104E-02 0.526E-03
RMM: 9 -0.107558988090E+04 -0.19034E-03 -0.19216E-03 1861 0.103E-02 0.328E-03
RMM: 10 -0.107559004841E+04 -0.16751E-03 -0.17254E-03 2095 0.140E-02 0.167E-03
RMM: 11 -0.107559021616E+04 -0.16775E-03 -0.17262E-03 2020 0.123E-02 0.183E-03
RMM: 12 -0.107559036117E+04 -0.14501E-03 -0.15118E-03 1772 0.125E-02 0.232E-03
RMM: 13 -0.107559050614E+04 -0.14497E-03 -0.15129E-03 1481 0.135E-02 0.345E-03
RMM: 14 -0.107559063928E+04 -0.13314E-03 -0.14166E-03 1647 0.174E-02 0.387E-03
RMM: 15 -0.107559077261E+04 -0.13333E-03 -0.14020E-03 1448 0.140E-02 0.471E-03
RMM: 16 -0.107559089073E+04 -0.11812E-03 -0.12390E-03 1401 0.131E-02 0.537E-03
RMM: 17 -0.107559100853E+04 -0.11780E-03 -0.12466E-03 1418 0.145E-02 0.612E-03
RMM: 18 -0.107559111648E+04 -0.10795E-03 -0.11614E-03 1529 0.162E-02 0.677E-03
RMM: 19 -0.107559122392E+04 -0.10744E-03 -0.11429E-03 1483 0.142E-02 0.746E-03
RMM: 20 -0.107559132024E+04 -0.96316E-04 -0.10312E-03 1437 0.143E-02 0.810E-03
RMM: 21 -0.107559141556E+04 -0.95319E-04 -0.10181E-03 1413 0.146E-02 0.879E-03
RMM: 22 -0.107559150568E+04 -0.90116E-04 -0.98307E-04 1508 0.164E-02
537 T= 733. E= -.10764127E+04 F= -.10755915E+04 E0= -.10755481E+04 EK= 0.14695E+02 SP= -.16E+02 SK= 0.40E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107560990892E+04 -0.18493E-01 -0.15608E+00 3340 0.131E+00 0.422E-01
RMM: 2 -0.107561543730E+04 -0.55284E-02 -0.11158E-01 4243 0.372E-01 0.302E-01
RMM: 3 -0.107561654370E+04 -0.11064E-02 -0.26228E-02 4409 0.136E-01 0.256E-01
RMM: 4 -0.107561621230E+04 0.33140E-03 -0.83317E-03 3867 0.607E-02 0.150E-01
RMM: 5 -0.107561656506E+04 -0.35276E-03 -0.54663E-03 3269 0.375E-02 0.460E-02
RMM: 6 -0.107561686478E+04 -0.29972E-03 -0.35266E-03 2815 0.205E-02 0.344E-02
RMM: 7 -0.107561713614E+04 -0.27136E-03 -0.32404E-03 2180 0.139E-02 0.192E-02
RMM: 8 -0.107561743424E+04 -0.29810E-03 -0.29565E-03 2167 0.126E-02 0.878E-03
RMM: 9 -0.107561772151E+04 -0.28727E-03 -0.28561E-03 1951 0.896E-03 0.595E-03
RMM: 10 -0.107561799100E+04 -0.26950E-03 -0.26372E-03 2023 0.115E-02 0.396E-03
RMM: 11 -0.107561826773E+04 -0.27673E-03 -0.28100E-03 2333 0.166E-02 0.341E-03
RMM: 12 -0.107561851636E+04 -0.24863E-03 -0.25099E-03 1798 0.101E-02 0.322E-03
RMM: 13 -0.107561876538E+04 -0.24902E-03 -0.25397E-03 1618 0.124E-02 0.435E-03
RMM: 14 -0.107561900155E+04 -0.23617E-03 -0.24327E-03 1579 0.153E-02 0.654E-03
RMM: 15 -0.107561924041E+04 -0.23886E-03 -0.24573E-03 1583 0.155E-02 0.717E-03
RMM: 16 -0.107561946714E+04 -0.22673E-03 -0.23402E-03 1552 0.148E-02 0.765E-03
RMM: 17 -0.107561969316E+04 -0.22602E-03 -0.23281E-03 1542 0.149E-02 0.878E-03
RMM: 18 -0.107561991184E+04 -0.21868E-03 -0.22516E-03 1527 0.151E-02 0.102E-02
RMM: 19 -0.107562012750E+04 -0.21566E-03 -0.22248E-03 1526 0.144E-02 0.110E-02
RMM: 20 -0.107562033427E+04 -0.20677E-03 -0.21364E-03 1476 0.143E-02 0.120E-02
RMM: 21 -0.107562054092E+04 -0.20665E-03 -0.21393E-03 1517 0.153E-02 0.133E-02
RMM: 22 -0.107562073915E+04 -0.19823E-03 -0.20521E-03 1455 0.142E-02 0.144E-02
RMM: 23 -0.107562093354E+04 -0.19439E-03 -0.20163E-03 1512 0.150E-02 0.153E-02
RMM: 24 -0.107562112473E+04 -0.19119E-03 -0.19860E-03 1530 0.156E-02 0.163E-02
RMM: 25 -0.107562131145E+04 -0.18672E-03 -0.19322E-03 1489 0.144E-02 0.172E-02
RMM: 26 -0.107562149145E+04 -0.17999E-03 -0.18607E-03 1417 0.139E-02 0.184E-02
RMM: 27 -0.107562166964E+04 -0.17820E-03 -0.18681E-03 1542 0.159E-02 0.191E-02
RMM: 28 -0.107562184246E+04 -0.17282E-03 -0.17913E-03 1444 0.145E-02 0.203E-02
RMM: 29 -0.107562201174E+04 -0.16928E-03 -0.17658E-03 1450 0.152E-02 0.214E-02
RMM: 30 -0.107562217538E+04 -0.16364E-03 -0.17118E-03 1448 0.156E-02 0.223E-02
RMM: 31 -0.107562233662E+04 -0.16124E-03 -0.16833E-03 1484 0.162E-02 0.233E-02
RMM: 32 -0.107562249439E+04 -0.15776E-03 -0.16525E-03 1447 0.159E-02 0.243E-02
RMM: 33 -0.107562264798E+04 -0.15359E-03 -0.16129E-03 1440 0.154E-02 0.253E-02
RMM: 34 -0.107562279934E+04 -0.15136E-03 -0.16017E-03 1460 0.156E-02 0.262E-02
RMM: 35 -0.107562294422E+04 -0.14488E-03 -0.15448E-03 1420 0.150E-02 0.271E-02
RMM: 36 -0.107562308559E+04 -0.14136E-03 -0.15067E-03 1446 0.157E-02 0.280E-02
RMM: 37 -0.107562322331E+04 -0.13772E-03 -0.14464E-03 1434 0.152E-02 0.289E-02
RMM: 38 -0.107562335822E+04 -0.13492E-03 -0.14226E-03 1432 0.154E-02 0.297E-02
RMM: 39 -0.107562349070E+04 -0.13247E-03 -0.13967E-03 1434 0.156E-02 0.306E-02
RMM: 40 -0.107562361961E+04 -0.12892E-03 -0.13573E-03 1399 0.152E-02 0.314E-02
RMM: 41 -0.107562374763E+04 -0.12801E-03 -0.13363E-03 1435 0.157E-02 0.325E-02
RMM: 42 -0.107562387760E+04 -0.12998E-03 -0.13099E-03 1521 0.154E-02 0.341E-02
RMM: 43 -0.107562400859E+04 -0.13098E-03 -0.12787E-03 1773 0.152E-02 0.364E-02
RMM: 44 -0.107562412775E+04 -0.11917E-03 -0.12518E-03 1549 0.148E-02 0.375E-02
RMM: 45 -0.107562424254E+04 -0.11478E-03 -0.12148E-03 1466 0.146E-02 0.383E-02
RMM: 46 -0.107562435421E+04 -0.11167E-03 -0.11915E-03 1502 0.151E-02 0.391E-02
RMM: 47 -0.107562446427E+04 -0.11006E-03 -0.11760E-03 1513 0.154E-02 0.398E-02
RMM: 48 -0.107562457006E+04 -0.10579E-03 -0.11420E-03 1448 0.152E-02 0.405E-02
RMM: 49 -0.107562467300E+04 -0.10295E-03 -0.11204E-03 1512 0.161E-02 0.411E-02
RMM: 50 -0.107562477364E+04 -0.10064E-03 -0.10950E-03 1499 0.165E-02 0.418E-02
RMM: 51 -0.107562487333E+04 -0.99686E-04 -0.10763E-03 1480 0.159E-02 0.424E-02
RMM: 52 -0.107562497520E+04 -0.10188E-03 -0.10344E-03 1466 0.150E-02 0.438E-02
RMM: 53 -0.107562506951E+04 -0.94307E-04 -0.10291E-03 1491 0.162E-02 0.444E-02
RMM: 54 -0.107562516233E+04 -0.92821E-04 -0.10102E-03 1479 0.157E-02 0.451E-02
RMM: 55 -0.107562525227E+04 -0.89940E-04 -0.97307E-04 1439 0.150E-02
538 T= 738. E= -.10764005E+04 F= -.10756253E+04 E0= -.10755818E+04 EK= 0.14788E+02 SP= -.16E+02 SK= 0.19E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107581807488E+04 -0.19291E+00 -0.11389E+00 3386 0.115E+00 0.325E-01
RMM: 2 -0.107582290680E+04 -0.48319E-02 -0.82233E-02 4220 0.325E-01 0.238E-01
RMM: 3 -0.107582363471E+04 -0.72791E-03 -0.17880E-02 4323 0.119E-01 0.200E-01
RMM: 4 -0.107582354334E+04 0.91370E-04 -0.56565E-03 3809 0.518E-02 0.123E-01
RMM: 5 -0.107582377518E+04 -0.23184E-03 -0.36995E-03 3236 0.330E-02 0.367E-02
RMM: 6 -0.107582397214E+04 -0.19696E-03 -0.22911E-03 2536 0.182E-02 0.259E-02
RMM: 7 -0.107582414969E+04 -0.17755E-03 -0.20813E-03 2072 0.124E-02 0.154E-02
RMM: 8 -0.107582433758E+04 -0.18790E-03 -0.19011E-03 2182 0.127E-02 0.682E-03
RMM: 9 -0.107582451903E+04 -0.18145E-03 -0.18203E-03 1878 0.845E-03 0.432E-03
RMM: 10 -0.107582468405E+04 -0.16502E-03 -0.16347E-03 1932 0.996E-03 0.268E-03
RMM: 11 -0.107582485385E+04 -0.16980E-03 -0.17329E-03 2223 0.141E-02 0.224E-03
RMM: 12 -0.107582500227E+04 -0.14842E-03 -0.15167E-03 1756 0.110E-02 0.179E-03
RMM: 13 -0.107582515109E+04 -0.14882E-03 -0.15436E-03 1517 0.128E-02 0.237E-03
RMM: 14 -0.107582529231E+04 -0.14122E-03 -0.14906E-03 1547 0.161E-02 0.312E-03
RMM: 15 -0.107582543341E+04 -0.14110E-03 -0.14761E-03 1461 0.146E-02 0.376E-03
RMM: 16 -0.107582556682E+04 -0.13342E-03 -0.14057E-03 1516 0.152E-02 0.452E-03
RMM: 17 -0.107582569849E+04 -0.13167E-03 -0.13752E-03 1429 0.146E-02 0.519E-03
RMM: 18 -0.107582582480E+04 -0.12630E-03 -0.13325E-03 1534 0.165E-02 0.582E-03
RMM: 19 -0.107582595066E+04 -0.12586E-03 -0.13170E-03 1433 0.148E-02 0.663E-03
RMM: 20 -0.107582607104E+04 -0.12039E-03 -0.12775E-03 1525 0.158E-02 0.725E-03
RMM: 21 -0.107582619012E+04 -0.11907E-03 -0.12614E-03 1476 0.154E-02 0.796E-03
RMM: 22 -0.107582630336E+04 -0.11324E-03 -0.12069E-03 1450 0.154E-02 0.866E-03
RMM: 23 -0.107582641689E+04 -0.11353E-03 -0.12105E-03 1495 0.160E-02 0.930E-03
RMM: 24 -0.107582652449E+04 -0.10761E-03 -0.11408E-03 1441 0.154E-02 0.100E-02
RMM: 25 -0.107582663396E+04 -0.10947E-03 -0.11762E-03 1522 0.169E-02 0.107E-02
RMM: 26 -0.107582673620E+04 -0.10224E-03 -0.10856E-03 1426 0.151E-02 0.113E-02
RMM: 27 -0.107582683937E+04 -0.10317E-03 -0.11019E-03 1458 0.158E-02 0.120E-02
RMM: 28 -0.107582694060E+04 -0.10123E-03 -0.10938E-03 1527 0.167E-02 0.126E-02
RMM: 29 -0.107582703978E+04 -0.99176E-04 -0.10646E-03 1454 0.152E-02 0.132E-02
RMM: 30 -0.107582713460E+04 -0.94821E-04 -0.10161E-03 1421 0.150E-02 0.138E-02
RMM: 31 -0.107582722975E+04 -0.95148E-04 -0.10312E-03 1507 0.166E-02 0.144E-02
RMM: 32 -0.107582732289E+04 -0.93139E-04 -0.10044E-03 1475 0.157E-02 0.150E-02
RMM: 33 -0.107582741283E+04 -0.89938E-04 -0.96254E-04 1435 0.150E-02
539 T= 749. E= -.10764214E+04 F= -.10758274E+04 E0= -.10757847E+04 EK= 0.14998E+02 SP= -.16E+02 SK= 0.39E-03
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107590625970E+04 -0.78937E-01 -0.98271E-01 3374 0.105E+00 0.297E-01
RMM: 2 -0.107591040237E+04 -0.41427E-02 -0.68661E-02 4203 0.295E-01 0.207E-01
RMM: 3 -0.107591152520E+04 -0.11228E-02 -0.16147E-02 4235 0.105E-01 0.151E-01
RMM: 4 -0.107591191027E+04 -0.38508E-03 -0.67110E-03 3674 0.477E-02 0.947E-02
RMM: 5 -0.107591212598E+04 -0.21571E-03 -0.42324E-03 3096 0.272E-02 0.354E-02
RMM: 6 -0.107591242715E+04 -0.30116E-03 -0.31930E-03 2212 0.158E-02 0.200E-02
RMM: 7 -0.107591273762E+04 -0.31047E-03 -0.31303E-03 2084 0.120E-02 0.117E-02
RMM: 8 -0.107591302001E+04 -0.28239E-03 -0.28397E-03 2055 0.109E-02 0.550E-03
RMM: 9 -0.107591330116E+04 -0.28115E-03 -0.28179E-03 1945 0.107E-02 0.376E-03
RMM: 10 -0.107591356425E+04 -0.26309E-03 -0.26648E-03 2074 0.129E-02 0.219E-03
RMM: 11 -0.107591381916E+04 -0.25490E-03 -0.25728E-03 2014 0.114E-02 0.159E-03
RMM: 12 -0.107591405869E+04 -0.23954E-03 -0.24479E-03 1886 0.135E-02 0.166E-03
RMM: 13 -0.107591429367E+04 -0.23498E-03 -0.24067E-03 1625 0.142E-02 0.239E-03
RMM: 14 -0.107591451972E+04 -0.22605E-03 -0.23296E-03 1575 0.156E-02 0.421E-03
RMM: 15 -0.107591474170E+04 -0.22198E-03 -0.22820E-03 1488 0.143E-02 0.486E-03
RMM: 16 -0.107591495327E+04 -0.21157E-03 -0.21763E-03 1438 0.138E-02 0.596E-03
RMM: 17 -0.107591515971E+04 -0.20644E-03 -0.21337E-03 1458 0.150E-02 0.717E-03
RMM: 18 -0.107591536065E+04 -0.20094E-03 -0.20848E-03 1540 0.164E-02 0.801E-03
RMM: 19 -0.107591555612E+04 -0.19547E-03 -0.20186E-03 1499 0.148E-02 0.906E-03
RMM: 20 -0.107591574634E+04 -0.19022E-03 -0.19563E-03 1433 0.138E-02 0.102E-02
RMM: 21 -0.107591593266E+04 -0.18632E-03 -0.19361E-03 1540 0.155E-02 0.113E-02
RMM: 22 -0.107591611286E+04 -0.18020E-03 -0.18740E-03 1470 0.151E-02 0.123E-02
RMM: 23 -0.107591628945E+04 -0.17660E-03 -0.18379E-03 1478 0.154E-02 0.133E-02
RMM: 24 -0.107591645956E+04 -0.17010E-03 -0.17687E-03 1457 0.150E-02 0.144E-02
RMM: 25 -0.107591662571E+04 -0.16615E-03 -0.17249E-03 1499 0.155E-02 0.153E-02
RMM: 26 -0.107591678979E+04 -0.16408E-03 -0.17044E-03 1492 0.153E-02 0.165E-02
RMM: 27 -0.107591694898E+04 -0.15919E-03 -0.16560E-03 1459 0.149E-02 0.175E-02
RMM: 28 -0.107591710441E+04 -0.15543E-03 -0.16211E-03 1470 0.150E-02 0.184E-02
RMM: 29 -0.107591725465E+04 -0.15024E-03 -0.15679E-03 1411 0.149E-02 0.194E-02
RMM: 30 -0.107591740364E+04 -0.14899E-03 -0.15687E-03 1506 0.163E-02 0.204E-02
RMM: 31 -0.107591754581E+04 -0.14218E-03 -0.14821E-03 1408 0.148E-02 0.214E-02
RMM: 32 -0.107591768704E+04 -0.14122E-03 -0.14809E-03 1424 0.156E-02 0.224E-02
RMM: 33 -0.107591782565E+04 -0.13862E-03 -0.14651E-03 1491 0.164E-02 0.234E-02
RMM: 34 -0.107591796067E+04 -0.13502E-03 -0.14212E-03 1425 0.153E-02 0.243E-02
RMM: 35 -0.107591809215E+04 -0.13148E-03 -0.13886E-03 1446 0.157E-02 0.252E-02
RMM: 36 -0.107591822001E+04 -0.12786E-03 -0.13466E-03 1411 0.154E-02 0.261E-02
RMM: 37 -0.107591834526E+04 -0.12525E-03 -0.13209E-03 1440 0.160E-02 0.270E-02
RMM: 38 -0.107591847040E+04 -0.12514E-03 -0.13215E-03 1429 0.155E-02 0.280E-02
RMM: 39 -0.107591859080E+04 -0.12040E-03 -0.12746E-03 1417 0.149E-02 0.289E-02
RMM: 40 -0.107591870933E+04 -0.11853E-03 -0.12565E-03 1406 0.154E-02 0.297E-02
RMM: 41 -0.107591882496E+04 -0.11563E-03 -0.12260E-03 1430 0.153E-02 0.306E-02
RMM: 42 -0.107591893866E+04 -0.11370E-03 -0.12073E-03 1406 0.149E-02 0.314E-02
RMM: 43 -0.107591905027E+04 -0.11161E-03 -0.11833E-03 1421 0.147E-02 0.321E-02
RMM: 44 -0.107591915806E+04 -0.10779E-03 -0.11320E-03 1369 0.139E-02 0.329E-02
RMM: 45 -0.107591926508E+04 -0.10701E-03 -0.11326E-03 1387 0.146E-02 0.339E-02
RMM: 46 -0.107591937033E+04 -0.10525E-03 -0.11193E-03 1423 0.148E-02 0.347E-02
RMM: 47 -0.107591947436E+04 -0.10404E-03 -0.10953E-03 1446 0.142E-02 0.356E-02
RMM: 48 -0.107591957472E+04 -0.10036E-03 -0.10633E-03 1535 0.146E-02 0.364E-02
RMM: 49 -0.107591967402E+04 -0.99299E-04 -0.10639E-03 1528 0.150E-02 0.372E-02
RMM: 50 -0.107591977070E+04 -0.96678E-04 -0.10255E-03 1438 0.142E-02 0.379E-02
RMM: 51 -0.107591986513E+04 -0.94433E-04 -0.10038E-03 1371 0.138E-02 0.388E-02
RMM: 52 -0.107591995862E+04 -0.93487E-04 -0.10105E-03 1489 0.154E-02 0.395E-02
RMM: 53 -0.107592005072E+04 -0.92101E-04 -0.98877E-04 1413 0.146E-02
540 T= 753. E= -.10764324E+04 F= -.10759201E+04 E0= -.10758772E+04 EK= 0.15085E+02 SP= -.16E+02 SK= 0.73E-04
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107575981750E+04 0.16014E+00 -0.13248E+00 3339 0.120E+00 0.366E-01
RMM: 2 -0.107576514613E+04 -0.53286E-02 -0.88553E-02 4203 0.334E-01 0.272E-01
RMM: 3 -0.107576617135E+04 -0.10252E-02 -0.19826E-02 4301 0.121E-01 0.227E-01
RMM: 4 -0.107576576688E+04 0.40447E-03 -0.63986E-03 3617 0.555E-02 0.115E-01
RMM: 5 -0.107576597153E+04 -0.20465E-03 -0.33630E-03 3176 0.306E-02 0.452E-02
RMM: 6 -0.107576611392E+04 -0.14239E-03 -0.18766E-03 2485 0.170E-02 0.254E-02
RMM: 7 -0.107576628790E+04 -0.17398E-03 -0.18295E-03 2132 0.123E-02 0.105E-02
RMM: 8 -0.107576642239E+04 -0.13449E-03 -0.13945E-03 2028 0.103E-02 0.654E-03
RMM: 9 -0.107576656956E+04 -0.14717E-03 -0.14991E-03 1919 0.994E-03 0.463E-03
RMM: 10 -0.107576668836E+04 -0.11880E-03 -0.12055E-03 1998 0.116E-02 0.218E-03
RMM: 11 -0.107576681414E+04 -0.12578E-03 -0.13010E-03 1919 0.120E-02 0.178E-03
RMM: 12 -0.107576691637E+04 -0.10222E-03 -0.10732E-03 1713 0.120E-02 0.189E-03
RMM: 13 -0.107576702246E+04 -0.10610E-03 -0.11128E-03 1434 0.120E-02 0.292E-03
RMM: 14 -0.107576711468E+04 -0.92213E-04 -0.98432E-04 1549 0.156E-02
541 T= 745. E= -.10764181E+04 F= -.10757671E+04 E0= -.10757247E+04 EK= 0.14926E+02 SP= -.16E+02 SK= 0.13E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107556800177E+04 0.19902E+00 -0.13351E+00 3351 0.122E+00 0.355E-01
RMM: 2 -0.107557457082E+04 -0.65690E-02 -0.10323E-01 4257 0.359E-01 0.271E-01
RMM: 3 -0.107557528165E+04 -0.71083E-03 -0.23024E-02 4267 0.130E-01 0.233E-01
RMM: 4 -0.107557515256E+04 0.12909E-03 -0.82825E-03 3772 0.582E-02 0.136E-01
RMM: 5 -0.107557554167E+04 -0.38910E-03 -0.57371E-03 3218 0.349E-02 0.440E-02
RMM: 6 -0.107557586799E+04 -0.32632E-03 -0.36439E-03 2524 0.182E-02 0.251E-02
RMM: 7 -0.107557622242E+04 -0.35443E-03 -0.36509E-03 2153 0.129E-02 0.113E-02
RMM: 8 -0.107557652344E+04 -0.30102E-03 -0.30598E-03 2019 0.999E-03 0.778E-03
RMM: 9 -0.107557683596E+04 -0.31252E-03 -0.31450E-03 1929 0.948E-03 0.525E-03
RMM: 10 -0.107557711265E+04 -0.27669E-03 -0.27798E-03 2065 0.119E-02 0.240E-03
RMM: 11 -0.107557739211E+04 -0.27947E-03 -0.28276E-03 1912 0.109E-02 0.235E-03
RMM: 12 -0.107557763938E+04 -0.24727E-03 -0.25244E-03 1813 0.124E-02 0.258E-03
RMM: 13 -0.107557788964E+04 -0.25026E-03 -0.25609E-03 1470 0.126E-02 0.392E-03
RMM: 14 -0.107557811640E+04 -0.22676E-03 -0.23383E-03 1579 0.157E-02 0.518E-03
RMM: 15 -0.107557834907E+04 -0.23268E-03 -0.23946E-03 1512 0.152E-02 0.635E-03
RMM: 16 -0.107557855652E+04 -0.20745E-03 -0.21433E-03 1465 0.139E-02 0.734E-03
RMM: 17 -0.107557876716E+04 -0.21064E-03 -0.21597E-03 1434 0.137E-02 0.839E-03
RMM: 18 -0.107557895953E+04 -0.19237E-03 -0.19740E-03 1554 0.152E-02 0.941E-03
RMM: 19 -0.107557915438E+04 -0.19485E-03 -0.20126E-03 1621 0.153E-02 0.105E-02
RMM: 20 -0.107557933091E+04 -0.17653E-03 -0.18277E-03 1484 0.139E-02 0.114E-02
RMM: 21 -0.107557950738E+04 -0.17647E-03 -0.18270E-03 1455 0.139E-02 0.123E-02
RMM: 22 -0.107557966873E+04 -0.16136E-03 -0.16839E-03 1455 0.149E-02 0.131E-02
RMM: 23 -0.107557983127E+04 -0.16254E-03 -0.17047E-03 1498 0.159E-02 0.140E-02
RMM: 24 -0.107557998143E+04 -0.15017E-03 -0.15743E-03 1480 0.150E-02 0.148E-02
RMM: 25 -0.107558013049E+04 -0.14906E-03 -0.15583E-03 1455 0.149E-02 0.156E-02
RMM: 26 -0.107558026864E+04 -0.13815E-03 -0.14533E-03 1466 0.155E-02 0.164E-02
RMM: 27 -0.107558040779E+04 -0.13914E-03 -0.14665E-03 1512 0.154E-02 0.172E-02
RMM: 28 -0.107558053583E+04 -0.12805E-03 -0.13470E-03 1443 0.143E-02 0.179E-02
RMM: 29 -0.107558066186E+04 -0.12603E-03 -0.13303E-03 1441 0.149E-02 0.186E-02
RMM: 30 -0.107558078148E+04 -0.11962E-03 -0.12780E-03 1485 0.159E-02 0.193E-02
RMM: 31 -0.107558089897E+04 -0.11749E-03 -0.12465E-03 1436 0.149E-02 0.200E-02
RMM: 32 -0.107558100773E+04 -0.10876E-03 -0.11559E-03 1401 0.151E-02 0.207E-02
RMM: 33 -0.107558111833E+04 -0.11060E-03 -0.11900E-03 1532 0.172E-02 0.213E-02
RMM: 34 -0.107558122202E+04 -0.10369E-03 -0.11093E-03 1446 0.150E-02 0.219E-02
RMM: 35 -0.107558132239E+04 -0.10038E-03 -0.10680E-03 1406 0.144E-02 0.225E-02
RMM: 36 -0.107558141841E+04 -0.96015E-04 -0.10306E-03 1439 0.158E-02 0.231E-02
RMM: 37 -0.107558151411E+04 -0.95706E-04 -0.10339E-03 1441 0.160E-02 0.237E-02
RMM: 38 -0.107558160318E+04 -0.89063E-04 -0.95936E-04 1403 0.144E-02
542 T= 734. E= -.10764068E+04 F= -.10755816E+04 E0= -.10755394E+04 EK= 0.14709E+02 SP= -.16E+02 SK= 0.33E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107555685756E+04 0.24657E-01 -0.13300E+00 3356 0.119E+00 0.366E-01
RMM: 2 -0.107556327408E+04 -0.64165E-02 -0.94257E-02 4179 0.345E-01 0.276E-01
RMM: 3 -0.107556454970E+04 -0.12756E-02 -0.20222E-02 4185 0.124E-01 0.190E-01
RMM: 4 -0.107556489219E+04 -0.34249E-03 -0.77208E-03 3756 0.586E-02 0.107E-01
RMM: 5 -0.107556482412E+04 0.68069E-04 -0.30388E-03 3091 0.279E-02 0.415E-02
RMM: 6 -0.107556500414E+04 -0.18002E-03 -0.22031E-03 2553 0.171E-02 0.179E-02
RMM: 7 -0.107556519638E+04 -0.19224E-03 -0.20156E-03 2063 0.120E-02 0.103E-02
RMM: 8 -0.107556535732E+04 -0.16094E-03 -0.16741E-03 1968 0.966E-03 0.619E-03
RMM: 9 -0.107556552315E+04 -0.16582E-03 -0.16846E-03 1918 0.103E-02 0.266E-03
RMM: 10 -0.107556567091E+04 -0.14777E-03 -0.15322E-03 2046 0.131E-02 0.170E-03
RMM: 11 -0.107556581610E+04 -0.14519E-03 -0.14946E-03 1826 0.108E-02 0.179E-03
RMM: 12 -0.107556594313E+04 -0.12703E-03 -0.13285E-03 1719 0.124E-02 0.241E-03
RMM: 13 -0.107556607185E+04 -0.12872E-03 -0.13624E-03 1541 0.145E-02 0.340E-03
RMM: 14 -0.107556618864E+04 -0.11679E-03 -0.12500E-03 1588 0.156E-02 0.402E-03
RMM: 15 -0.107556630457E+04 -0.11593E-03 -0.12134E-03 1394 0.133E-02 0.498E-03
RMM: 16 -0.107556640853E+04 -0.10396E-03 -0.11044E-03 1451 0.145E-02 0.577E-03
RMM: 17 -0.107556651347E+04 -0.10494E-03 -0.11273E-03 1477 0.154E-02 0.641E-03
RMM: 18 -0.107556660859E+04 -0.95121E-04 -0.10207E-03 1451 0.146E-02 0.721E-03
RMM: 19 -0.107556670291E+04 -0.94326E-04 -0.10176E-03 1455 0.147E-02 0.786E-03
RMM: 20 -0.107556678884E+04 -0.85932E-04 -0.93502E-04 1448 0.148E-02
543 T= 731. E= -.10764055E+04 F= -.10755668E+04 E0= -.10755247E+04 EK= 0.14638E+02 SP= -.15E+02 SK= 0.56E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107575355036E+04 -0.18685E+00 -0.14167E+00 3346 0.118E+00 0.411E-01
RMM: 2 -0.107575916705E+04 -0.56167E-02 -0.93249E-02 4146 0.326E-01 0.307E-01
RMM: 3 -0.107576005883E+04 -0.89179E-03 -0.21549E-02 4086 0.122E-01 0.176E-01
RMM: 4 -0.107576061690E+04 -0.55806E-03 -0.88961E-03 3701 0.592E-02 0.107E-01
RMM: 5 -0.107576048711E+04 0.12979E-03 -0.36217E-03 3058 0.284E-02 0.580E-02
RMM: 6 -0.107576073193E+04 -0.24482E-03 -0.28464E-03 2790 0.196E-02 0.238E-02
RMM: 7 -0.107576095141E+04 -0.21948E-03 -0.24625E-03 2082 0.129E-02 0.137E-02
RMM: 8 -0.107576115205E+04 -0.20063E-03 -0.21157E-03 2044 0.117E-02 0.865E-03
RMM: 9 -0.107576136394E+04 -0.21189E-03 -0.21641E-03 2001 0.114E-02 0.540E-03
RMM: 10 -0.107576154991E+04 -0.18597E-03 -0.19047E-03 1949 0.112E-02 0.243E-03
RMM: 11 -0.107576173699E+04 -0.18707E-03 -0.19154E-03 1882 0.108E-02 0.239E-03
RMM: 12 -0.107576190073E+04 -0.16374E-03 -0.16884E-03 1814 0.111E-02 0.283E-03
RMM: 13 -0.107576206624E+04 -0.16551E-03 -0.17192E-03 1558 0.128E-02 0.395E-03
RMM: 14 -0.107576221472E+04 -0.14849E-03 -0.15653E-03 1587 0.152E-02 0.401E-03
RMM: 15 -0.107576236613E+04 -0.15141E-03 -0.15865E-03 1562 0.151E-02 0.387E-03
RMM: 16 -0.107576249977E+04 -0.13364E-03 -0.14050E-03 1565 0.148E-02 0.413E-03
RMM: 17 -0.107576263596E+04 -0.13619E-03 -0.14376E-03 1577 0.152E-02 0.404E-03
RMM: 18 -0.107576275891E+04 -0.12296E-03 -0.13040E-03 1655 0.153E-02 0.350E-03
RMM: 19 -0.107576288209E+04 -0.12318E-03 -0.13007E-03 1532 0.145E-02 0.328E-03
RMM: 20 -0.107576299256E+04 -0.11046E-03 -0.11724E-03 1484 0.144E-02 0.330E-03
RMM: 21 -0.107576310531E+04 -0.11275E-03 -0.12026E-03 1580 0.150E-02 0.339E-03
RMM: 22 -0.107576320494E+04 -0.99631E-04 -0.10582E-03 1447 0.133E-02 0.415E-03
RMM: 23 -0.107576330637E+04 -0.10143E-03 -0.10846E-03 1503 0.147E-02 0.446E-03
RMM: 24 -0.107576340042E+04 -0.94057E-04 -0.10134E-03 1498 0.148E-02 0.515E-03
RMM: 25 -0.107576349111E+04 -0.90688E-04 -0.97587E-04 1421 0.137E-02
544 T= 736. E= -.10764228E+04 F= -.10757635E+04 E0= -.10757214E+04 EK= 0.14745E+02 SP= -.15E+02 SK= 0.86E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107589908379E+04 -0.13568E+00 -0.12541E+00 3367 0.112E+00 0.363E-01
RMM: 2 -0.107590494561E+04 -0.58618E-02 -0.83707E-02 4134 0.309E-01 0.278E-01
RMM: 3 -0.107590532532E+04 -0.37971E-03 -0.17037E-02 3911 0.110E-01 0.143E-01
RMM: 4 -0.107590577834E+04 -0.45302E-03 -0.61028E-03 3505 0.517E-02 0.705E-02
RMM: 5 -0.107590590324E+04 -0.12490E-03 -0.28980E-03 2951 0.252E-02 0.537E-02
RMM: 6 -0.107590606190E+04 -0.15866E-03 -0.21693E-03 2532 0.178E-02 0.175E-02
RMM: 7 -0.107590624688E+04 -0.18498E-03 -0.19435E-03 1979 0.119E-02 0.103E-02
RMM: 8 -0.107590641150E+04 -0.16462E-03 -0.17026E-03 1958 0.110E-02 0.823E-03
RMM: 9 -0.107590658001E+04 -0.16851E-03 -0.17336E-03 1922 0.116E-02 0.448E-03
RMM: 10 -0.107590673434E+04 -0.15432E-03 -0.16086E-03 2044 0.133E-02 0.191E-03
RMM: 11 -0.107590688842E+04 -0.15408E-03 -0.15964E-03 1926 0.117E-02 0.187E-03
RMM: 12 -0.107590702954E+04 -0.14113E-03 -0.14652E-03 1840 0.123E-02 0.221E-03
RMM: 13 -0.107590716950E+04 -0.13996E-03 -0.14706E-03 1578 0.137E-02 0.322E-03
RMM: 14 -0.107590730168E+04 -0.13218E-03 -0.14009E-03 1620 0.157E-02 0.329E-03
RMM: 15 -0.107590743295E+04 -0.13127E-03 -0.13821E-03 1532 0.147E-02 0.377E-03
RMM: 16 -0.107590755550E+04 -0.12255E-03 -0.12969E-03 1526 0.153E-02 0.472E-03
RMM: 17 -0.107590767729E+04 -0.12179E-03 -0.12961E-03 1578 0.154E-02 0.447E-03
RMM: 18 -0.107590779040E+04 -0.11311E-03 -0.12043E-03 1590 0.148E-02 0.379E-03
RMM: 19 -0.107590790272E+04 -0.11232E-03 -0.12025E-03 1608 0.157E-02 0.336E-03
RMM: 20 -0.107590801055E+04 -0.10783E-03 -0.11591E-03 1584 0.158E-02 0.361E-03
RMM: 21 -0.107590811671E+04 -0.10616E-03 -0.11286E-03 1529 0.139E-02 0.405E-03
RMM: 22 -0.107590821501E+04 -0.98300E-04 -0.10410E-03 1408 0.131E-02 0.461E-03
RMM: 23 -0.107590831403E+04 -0.99025E-04 -0.10673E-03 1520 0.158E-02 0.529E-03
RMM: 24 -0.107590840764E+04 -0.93611E-04 -0.10099E-03 1462 0.147E-02 0.586E-03
RMM: 25 -0.107590850096E+04 -0.93321E-04 -0.10069E-03 1489 0.147E-02 0.643E-03
RMM: 26 -0.107590858850E+04 -0.87541E-04 -0.94004E-04 1422 0.142E-02
545 T= 737. E= -.10764484E+04 F= -.10759086E+04 E0= -.10758668E+04 EK= 0.14775E+02 SP= -.15E+02 SK= 0.13E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107565283594E+04 0.25567E+00 -0.13180E+00 3353 0.117E+00 0.323E-01
RMM: 2 -0.107565916189E+04 -0.63259E-02 -0.86121E-02 4149 0.325E-01 0.253E-01
RMM: 3 -0.107565986878E+04 -0.70689E-03 -0.16673E-02 4061 0.111E-01 0.166E-01
RMM: 4 -0.107566022625E+04 -0.35747E-03 -0.62800E-03 3560 0.537E-02 0.931E-02
RMM: 5 -0.107566008086E+04 0.14539E-03 -0.26683E-03 3120 0.279E-02 0.462E-02
RMM: 6 -0.107566020470E+04 -0.12384E-03 -0.16899E-03 2417 0.161E-02 0.210E-02
RMM: 7 -0.107566035098E+04 -0.14628E-03 -0.14982E-03 2081 0.122E-02 0.101E-02
RMM: 8 -0.107566047297E+04 -0.12199E-03 -0.13018E-03 1939 0.974E-03 0.609E-03
RMM: 9 -0.107566059588E+04 -0.12291E-03 -0.12564E-03 1809 0.983E-03 0.349E-03
RMM: 10 -0.107566071457E+04 -0.11868E-03 -0.12561E-03 2146 0.146E-02 0.206E-03
RMM: 11 -0.107566082798E+04 -0.11341E-03 -0.11833E-03 1803 0.110E-02 0.173E-03
RMM: 12 -0.107566093099E+04 -0.10302E-03 -0.10878E-03 1704 0.122E-02 0.233E-03
RMM: 13 -0.107566103492E+04 -0.10392E-03 -0.11189E-03 1611 0.152E-02 0.279E-03
RMM: 14 -0.107566113453E+04 -0.99612E-04 -0.10645E-03 1548 0.154E-02 0.344E-03
RMM: 15 -0.107566123122E+04 -0.96690E-04 -0.10313E-03 1497 0.142E-02 0.409E-03
RMM: 16 -0.107566132114E+04 -0.89915E-04 -0.95876E-04 1436 0.138E-02
546 T= 721. E= -.10764227E+04 F= -.10756613E+04 E0= -.10756197E+04 EK= 0.14447E+02 SP= -.15E+02 SK= 0.16E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107528548070E+04 0.37575E+00 -0.16526E+00 3347 0.131E+00 0.395E-01
RMM: 2 -0.107529279950E+04 -0.73188E-02 -0.10649E-01 4170 0.368E-01 0.297E-01
RMM: 3 -0.107529350518E+04 -0.70568E-03 -0.21003E-02 4109 0.127E-01 0.160E-01
RMM: 4 -0.107529403770E+04 -0.53252E-03 -0.70376E-03 3722 0.593E-02 0.826E-02
RMM: 5 -0.107529399652E+04 0.41179E-04 -0.26911E-03 3097 0.273E-02 0.548E-02
RMM: 6 -0.107529412102E+04 -0.12450E-03 -0.19635E-03 2606 0.184E-02 0.154E-02
RMM: 7 -0.107529427937E+04 -0.15834E-03 -0.16447E-03 1990 0.120E-02 0.773E-03
RMM: 8 -0.107529442277E+04 -0.14341E-03 -0.14613E-03 1984 0.109E-02 0.558E-03
RMM: 9 -0.107529456437E+04 -0.14160E-03 -0.14425E-03 1892 0.105E-02 0.344E-03
RMM: 10 -0.107529469369E+04 -0.12932E-03 -0.13449E-03 1992 0.120E-02 0.205E-03
RMM: 11 -0.107529482055E+04 -0.12685E-03 -0.13147E-03 1946 0.115E-02 0.179E-03
RMM: 12 -0.107529493884E+04 -0.11829E-03 -0.12366E-03 1939 0.131E-02 0.144E-03
RMM: 13 -0.107529505492E+04 -0.11608E-03 -0.12197E-03 1655 0.131E-02 0.119E-03
RMM: 14 -0.107529516478E+04 -0.10986E-03 -0.11701E-03 1643 0.150E-02 0.103E-03
RMM: 15 -0.107529527324E+04 -0.10846E-03 -0.11429E-03 1543 0.138E-02 0.934E-04
RMM: 16 -0.107529537615E+04 -0.10291E-03 -0.10980E-03 1574 0.148E-02 0.907E-04
RMM: 17 -0.107529547838E+04 -0.10222E-03 -0.10830E-03 1548 0.143E-02 0.940E-04
RMM: 18 -0.107529557486E+04 -0.96478E-04 -0.10288E-03 1473 0.146E-02 0.136E-03
RMM: 19 -0.107529567066E+04 -0.95804E-04 -0.10227E-03 1488 0.146E-02 0.266E-03
RMM: 20 -0.107529576300E+04 -0.92342E-04 -0.98756E-04 1504 0.142E-02
547 T= 699. E= -.10763948E+04 F= -.10752958E+04 E0= -.10752536E+04 EK= 0.13997E+02 SP= -.15E+02 SK= 0.18E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107514264791E+04 0.15302E+00 -0.10628E+00 3371 0.109E+00 0.257E-01
RMM: 2 -0.107514852879E+04 -0.58809E-02 -0.72621E-02 4150 0.310E-01 0.194E-01
RMM: 3 -0.107514958130E+04 -0.10525E-02 -0.14054E-02 4032 0.106E-01 0.141E-01
RMM: 4 -0.107514994883E+04 -0.36752E-03 -0.49972E-03 3617 0.498E-02 0.788E-02
RMM: 5 -0.107514993769E+04 0.11140E-04 -0.26241E-03 3119 0.271E-02 0.334E-02
RMM: 6 -0.107515006442E+04 -0.12674E-03 -0.17127E-03 2163 0.158E-02 0.200E-02
RMM: 7 -0.107515022102E+04 -0.15659E-03 -0.17062E-03 2208 0.136E-02 0.934E-03
RMM: 8 -0.107515036187E+04 -0.14085E-03 -0.14593E-03 1862 0.907E-03 0.597E-03
RMM: 9 -0.107515050038E+04 -0.13851E-03 -0.14178E-03 1754 0.913E-03 0.427E-03
RMM: 10 -0.107515063693E+04 -0.13656E-03 -0.14057E-03 2055 0.129E-02 0.430E-03
RMM: 11 -0.107515077147E+04 -0.13453E-03 -0.14013E-03 1850 0.113E-02 0.298E-03
RMM: 12 -0.107515089994E+04 -0.12847E-03 -0.13308E-03 1747 0.108E-02 0.186E-03
RMM: 13 -0.107515102818E+04 -0.12823E-03 -0.13372E-03 1578 0.127E-02 0.192E-03
RMM: 14 -0.107515115215E+04 -0.12397E-03 -0.12976E-03 1480 0.137E-02 0.240E-03
RMM: 15 -0.107515127808E+04 -0.12593E-03 -0.13286E-03 1520 0.154E-02 0.283E-03
RMM: 16 -0.107515139821E+04 -0.12013E-03 -0.12541E-03 1463 0.141E-02 0.337E-03
RMM: 17 -0.107515151875E+04 -0.12054E-03 -0.12636E-03 1434 0.144E-02 0.398E-03
RMM: 18 -0.107515163715E+04 -0.11840E-03 -0.12502E-03 1441 0.153E-02 0.435E-03
RMM: 19 -0.107515175579E+04 -0.11865E-03 -0.12561E-03 1520 0.157E-02 0.497E-03
RMM: 20 -0.107515187066E+04 -0.11487E-03 -0.11997E-03 1425 0.136E-02 0.585E-03
RMM: 21 -0.107515198483E+04 -0.11417E-03 -0.12002E-03 1512 0.147E-02 0.675E-03
RMM: 22 -0.107515209750E+04 -0.11267E-03 -0.11825E-03 1484 0.151E-02 0.749E-03
RMM: 23 -0.107515220921E+04 -0.11171E-03 -0.11811E-03 1463 0.150E-02 0.829E-03
RMM: 24 -0.107515231886E+04 -0.10965E-03 -0.11641E-03 1418 0.147E-02 0.888E-03
RMM: 25 -0.107515242669E+04 -0.10783E-03 -0.11464E-03 1421 0.147E-02 0.931E-03
RMM: 26 -0.107515253338E+04 -0.10670E-03 -0.11379E-03 1439 0.151E-02 0.989E-03
RMM: 27 -0.107515263987E+04 -0.10648E-03 -0.11316E-03 1444 0.148E-02 0.104E-02
RMM: 28 -0.107515274226E+04 -0.10239E-03 -0.10775E-03 1413 0.144E-02 0.109E-02
RMM: 29 -0.107515284577E+04 -0.10351E-03 -0.11039E-03 1423 0.146E-02 0.114E-02
RMM: 30 -0.107515294683E+04 -0.10106E-03 -0.10758E-03 1386 0.144E-02 0.120E-02
RMM: 31 -0.107515304585E+04 -0.99018E-04 -0.10706E-03 1434 0.155E-02 0.125E-02
RMM: 32 -0.107515314538E+04 -0.99533E-04 -0.10668E-03 1413 0.150E-02 0.130E-02
RMM: 33 -0.107515324241E+04 -0.97026E-04 -0.10360E-03 1408 0.145E-02 0.135E-02
RMM: 34 -0.107515333853E+04 -0.96127E-04 -0.10231E-03 1350 0.144E-02 0.141E-02
RMM: 35 -0.107515343204E+04 -0.93508E-04 -0.99531E-04 1417 0.152E-02
548 T= 686. E= -.10764008E+04 F= -.10751534E+04 E0= -.10751108E+04 EK= 0.13741E+02 SP= -.15E+02 SK= 0.16E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107517999458E+04 -0.26656E-01 -0.10721E+00 3366 0.109E+00 0.309E-01
RMM: 2 -0.107518562718E+04 -0.56326E-02 -0.74868E-02 4145 0.304E-01 0.237E-01
RMM: 3 -0.107518664724E+04 -0.10201E-02 -0.15882E-02 4122 0.108E-01 0.174E-01
RMM: 4 -0.107518681434E+04 -0.16710E-03 -0.53461E-03 3615 0.504E-02 0.975E-02
RMM: 5 -0.107518676098E+04 0.53357E-04 -0.22850E-03 3114 0.265E-02 0.362E-02
RMM: 6 -0.107518687968E+04 -0.11870E-03 -0.14639E-03 2244 0.156E-02 0.212E-02
RMM: 7 -0.107518700063E+04 -0.12094E-03 -0.13673E-03 2040 0.120E-02 0.112E-02
RMM: 8 -0.107518711438E+04 -0.11375E-03 -0.11906E-03 1991 0.108E-02 0.528E-03
RMM: 9 -0.107518723467E+04 -0.12029E-03 -0.12352E-03 1886 0.109E-02 0.301E-03
RMM: 10 -0.107518734977E+04 -0.11510E-03 -0.12001E-03 2011 0.127E-02 0.176E-03
RMM: 11 -0.107518746185E+04 -0.11208E-03 -0.11507E-03 1763 0.990E-03 0.156E-03
RMM: 12 -0.107518756891E+04 -0.10707E-03 -0.11184E-03 1761 0.126E-02 0.148E-03
RMM: 13 -0.107518767699E+04 -0.10807E-03 -0.11400E-03 1585 0.140E-02 0.176E-03
RMM: 14 -0.107518778371E+04 -0.10673E-03 -0.11261E-03 1506 0.149E-02 0.306E-03
RMM: 15 -0.107518789169E+04 -0.10797E-03 -0.11326E-03 1485 0.143E-02 0.302E-03
RMM: 16 -0.107518799554E+04 -0.10385E-03 -0.10926E-03 1481 0.139E-02 0.315E-03
RMM: 17 -0.107518810106E+04 -0.10552E-03 -0.11088E-03 1540 0.146E-02 0.304E-03
RMM: 18 -0.107518820425E+04 -0.10319E-03 -0.10824E-03 1477 0.141E-02 0.343E-03
RMM: 19 -0.107518830973E+04 -0.10549E-03 -0.11092E-03 1515 0.146E-02 0.400E-03
RMM: 20 -0.107518841197E+04 -0.10224E-03 -0.10633E-03 1385 0.130E-02 0.495E-03
RMM: 21 -0.107518851584E+04 -0.10387E-03 -0.10948E-03 1486 0.145E-02 0.565E-03
RMM: 22 -0.107518861897E+04 -0.10314E-03 -0.10841E-03 1424 0.145E-02 0.644E-03
RMM: 23 -0.107518872370E+04 -0.10473E-03 -0.11075E-03 1478 0.157E-02 0.728E-03
RMM: 24 -0.107518882872E+04 -0.10502E-03 -0.11097E-03 1478 0.155E-02 0.810E-03
RMM: 25 -0.107518893459E+04 -0.10587E-03 -0.11128E-03 1440 0.152E-02 0.894E-03
RMM: 26 -0.107518904130E+04 -0.10671E-03 -0.11219E-03 1452 0.154E-02 0.977E-03
RMM: 27 -0.107518915015E+04 -0.10885E-03 -0.11467E-03 1491 0.155E-02 0.106E-02
RMM: 28 -0.107518925845E+04 -0.10830E-03 -0.11306E-03 1405 0.142E-02 0.115E-02
RMM: 29 -0.107518936837E+04 -0.10992E-03 -0.11520E-03 1418 0.150E-02 0.124E-02
RMM: 30 -0.107518947955E+04 -0.11118E-03 -0.11810E-03 1437 0.155E-02 0.128E-02
RMM: 31 -0.107518958912E+04 -0.10957E-03 -0.11726E-03 1479 0.157E-02 0.132E-02
RMM: 32 -0.107518969561E+04 -0.10649E-03 -0.11324E-03 1400 0.149E-02 0.137E-02
RMM: 33 -0.107518980033E+04 -0.10472E-03 -0.11186E-03 1473 0.164E-02 0.144E-02
RMM: 34 -0.107518990303E+04 -0.10270E-03 -0.10958E-03 1392 0.150E-02 0.149E-02
RMM: 35 -0.107519000499E+04 -0.10196E-03 -0.10925E-03 1458 0.155E-02 0.153E-02
RMM: 36 -0.107519010534E+04 -0.10035E-03 -0.10712E-03 1442 0.153E-02 0.157E-02
RMM: 37 -0.107519020304E+04 -0.97699E-04 -0.10464E-03 1399 0.146E-02 0.161E-02
RMM: 38 -0.107519029876E+04 -0.95725E-04 -0.10237E-03 1371 0.144E-02 0.166E-02
RMM: 39 -0.107519039131E+04 -0.92541E-04 -0.98525E-04 1417 0.151E-02
549 T= 683. E= -.10764040E+04 F= -.10751904E+04 E0= -.10751474E+04 EK= 0.13676E+02 SP= -.15E+02 SK= 0.13E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107534598378E+04 -0.15569E+00 -0.10713E+00 3384 0.108E+00 0.319E-01
RMM: 2 -0.107535122088E+04 -0.52371E-02 -0.76548E-02 4140 0.303E-01 0.246E-01
RMM: 3 -0.107535216191E+04 -0.94103E-03 -0.17265E-02 4153 0.109E-01 0.161E-01
RMM: 4 -0.107535258061E+04 -0.41870E-03 -0.54192E-03 3585 0.503E-02 0.913E-02
RMM: 5 -0.107535244205E+04 0.13856E-03 -0.25722E-03 3068 0.275E-02 0.404E-02
RMM: 6 -0.107535255647E+04 -0.11442E-03 -0.15583E-03 2310 0.166E-02 0.181E-02
RMM: 7 -0.107535269995E+04 -0.14349E-03 -0.15092E-03 2148 0.135E-02 0.850E-03
RMM: 8 -0.107535281776E+04 -0.11781E-03 -0.12212E-03 1936 0.970E-03 0.604E-03
RMM: 9 -0.107535293457E+04 -0.11681E-03 -0.11894E-03 1811 0.103E-02 0.295E-03
RMM: 10 -0.107535304565E+04 -0.11109E-03 -0.11812E-03 2223 0.161E-02 0.188E-03
RMM: 11 -0.107535315218E+04 -0.10652E-03 -0.11150E-03 1870 0.117E-02 0.193E-03
RMM: 12 -0.107535324600E+04 -0.93823E-04 -0.98165E-04 1720 0.118E-02
550 T= 686. E= -.10764114E+04 F= -.10753532E+04 E0= -.10753124E+04 EK= 0.13743E+02 SP= -.15E+02 SK= 0.11E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107549967947E+04 -0.14653E+00 -0.83791E-01 3417 0.960E-01 0.265E-01
RMM: 2 -0.107550406857E+04 -0.43891E-02 -0.61116E-02 4172 0.269E-01 0.206E-01
RMM: 3 -0.107550475991E+04 -0.69134E-03 -0.13582E-02 4075 0.955E-02 0.175E-01
RMM: 4 -0.107550479614E+04 -0.36230E-04 -0.51230E-03 3512 0.434E-02 0.919E-02
RMM: 5 -0.107550505528E+04 -0.25914E-03 -0.31435E-03 3062 0.267E-02 0.297E-02
RMM: 6 -0.107550526894E+04 -0.21365E-03 -0.22746E-03 2168 0.153E-02 0.156E-02
RMM: 7 -0.107550546618E+04 -0.19724E-03 -0.20329E-03 2060 0.116E-02 0.703E-03
RMM: 8 -0.107550565256E+04 -0.18638E-03 -0.18845E-03 1924 0.929E-03 0.459E-03
RMM: 9 -0.107550582567E+04 -0.17311E-03 -0.17515E-03 1813 0.983E-03 0.315E-03
RMM: 10 -0.107550599546E+04 -0.16979E-03 -0.17359E-03 1981 0.133E-02 0.144E-03
RMM: 11 -0.107550615826E+04 -0.16279E-03 -0.16843E-03 1946 0.136E-02 0.132E-03
RMM: 12 -0.107550630974E+04 -0.15148E-03 -0.15529E-03 1628 0.104E-02 0.158E-03
RMM: 13 -0.107550645538E+04 -0.14565E-03 -0.15272E-03 1574 0.140E-02 0.238E-03
RMM: 14 -0.107550659698E+04 -0.14159E-03 -0.14718E-03 1450 0.140E-02 0.268E-03
RMM: 15 -0.107550673450E+04 -0.13752E-03 -0.14437E-03 1538 0.152E-02 0.279E-03
RMM: 16 -0.107550686603E+04 -0.13153E-03 -0.13800E-03 1486 0.140E-02 0.283E-03
RMM: 17 -0.107550699365E+04 -0.12762E-03 -0.13417E-03 1514 0.146E-02 0.283E-03
RMM: 18 -0.107550711660E+04 -0.12295E-03 -0.12888E-03 1417 0.135E-02 0.309E-03
RMM: 19 -0.107550723348E+04 -0.11688E-03 -0.12289E-03 1398 0.137E-02 0.361E-03
RMM: 20 -0.107550734864E+04 -0.11516E-03 -0.12195E-03 1441 0.143E-02 0.413E-03
RMM: 21 -0.107550745893E+04 -0.11029E-03 -0.11660E-03 1437 0.138E-02 0.456E-03
RMM: 22 -0.107550756542E+04 -0.10649E-03 -0.11269E-03 1381 0.136E-02 0.509E-03
RMM: 23 -0.107550766903E+04 -0.10361E-03 -0.11077E-03 1458 0.151E-02 0.553E-03
RMM: 24 -0.107550776998E+04 -0.10095E-03 -0.10782E-03 1405 0.147E-02 0.604E-03
RMM: 25 -0.107550786768E+04 -0.97694E-04 -0.10456E-03 1422 0.150E-02 0.648E-03
RMM: 26 -0.107550796210E+04 -0.94419E-04 -0.10174E-03 1453 0.152E-02 0.693E-03
RMM: 27 -0.107550805436E+04 -0.92261E-04 -0.99001E-04 1430 0.150E-02
551 T= 689. E= -.10764317E+04 F= -.10755081E+04 E0= -.10754681E+04 EK= 0.13797E+02 SP= -.15E+02 SK= 0.89E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107542494417E+04 0.83018E-01 -0.94603E-01 3384 0.997E-01 0.287E-01
RMM: 2 -0.107542948161E+04 -0.45374E-02 -0.61449E-02 4115 0.271E-01 0.223E-01
RMM: 3 -0.107543019269E+04 -0.71108E-03 -0.12259E-02 3931 0.963E-02 0.168E-01
RMM: 4 -0.107543017854E+04 0.14151E-04 -0.44671E-03 3432 0.472E-02 0.829E-02
RMM: 5 -0.107543020704E+04 -0.28503E-04 -0.16287E-03 2938 0.240E-02 0.397E-02
RMM: 6 -0.107543027730E+04 -0.70263E-04 -0.93034E-04 2223 0.146E-02
552 T= 681. E= -.10764321E+04 F= -.10754303E+04 E0= -.10753903E+04 EK= 0.13646E+02 SP= -.15E+02 SK= 0.70E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107513893328E+04 0.29127E+00 -0.11091E+00 3435 0.109E+00 0.320E-01
RMM: 2 -0.107514416910E+04 -0.52358E-02 -0.73080E-02 4116 0.301E-01 0.239E-01
RMM: 3 -0.107514504203E+04 -0.87294E-03 -0.17437E-02 4059 0.114E-01 0.140E-01
RMM: 4 -0.107514544517E+04 -0.40314E-03 -0.61992E-03 3682 0.529E-02 0.842E-02
RMM: 5 -0.107514545979E+04 -0.14618E-04 -0.28301E-03 2919 0.250E-02 0.480E-02
RMM: 6 -0.107514567318E+04 -0.21339E-03 -0.23879E-03 2606 0.180E-02 0.139E-02
RMM: 7 -0.107514585278E+04 -0.17960E-03 -0.18932E-03 1957 0.120E-02 0.109E-02
RMM: 8 -0.107514602389E+04 -0.17111E-03 -0.17766E-03 1975 0.125E-02 0.717E-03
RMM: 9 -0.107514619095E+04 -0.16706E-03 -0.16944E-03 2021 0.140E-02 0.416E-03
RMM: 10 -0.107514634812E+04 -0.15717E-03 -0.15888E-03 2029 0.122E-02 0.207E-03
RMM: 11 -0.107514649035E+04 -0.14223E-03 -0.14432E-03 1938 0.108E-02 0.197E-03
RMM: 12 -0.107514662233E+04 -0.13198E-03 -0.13465E-03 1835 0.113E-02 0.186E-03
RMM: 13 -0.107514674303E+04 -0.12070E-03 -0.12705E-03 1652 0.136E-02 0.213E-03
RMM: 14 -0.107514686033E+04 -0.11730E-03 -0.12590E-03 1638 0.153E-02 0.310E-03
RMM: 15 -0.107514696810E+04 -0.10777E-03 -0.11290E-03 1577 0.137E-02 0.293E-03
RMM: 16 -0.107514706882E+04 -0.10072E-03 -0.10686E-03 1634 0.145E-02 0.280E-03
RMM: 17 -0.107514716784E+04 -0.99019E-04 -0.10592E-03 1932 0.167E-02 0.207E-03
RMM: 18 -0.107514725989E+04 -0.92046E-04 -0.98040E-04 1575 0.138E-02
553 T= 665. E= -.10764169E+04 F= -.10751473E+04 E0= -.10751073E+04 EK= 0.13316E+02 SP= -.15E+02 SK= 0.43E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107491020519E+04 0.23696E+00 -0.12207E+00 3447 0.113E+00 0.339E-01
RMM: 2 -0.107491647808E+04 -0.62729E-02 -0.81495E-02 4118 0.315E-01 0.252E-01
RMM: 3 -0.107491753672E+04 -0.10586E-02 -0.17859E-02 3999 0.119E-01 0.141E-01
RMM: 4 -0.107491792384E+04 -0.38711E-03 -0.49051E-03 3749 0.548E-02 0.835E-02
RMM: 5 -0.107491777535E+04 0.14849E-03 -0.17161E-03 2899 0.256E-02 0.432E-02
RMM: 6 -0.107491786163E+04 -0.86279E-04 -0.11558E-03 2398 0.171E-02 0.193E-02
RMM: 7 -0.107491793884E+04 -0.77211E-04 -0.91802E-04 2053 0.132E-02
554 T= 652. E= -.10764031E+04 F= -.10749179E+04 E0= -.10748781E+04 EK= 0.13058E+02 SP= -.15E+02 SK= 0.15E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107494128642E+04 -0.23425E-01 -0.13282E+00 3391 0.116E+00 0.378E-01
RMM: 2 -0.107494759847E+04 -0.63121E-02 -0.86118E-02 4105 0.316E-01 0.284E-01
RMM: 3 -0.107494848984E+04 -0.89137E-03 -0.19197E-02 3916 0.123E-01 0.141E-01
RMM: 4 -0.107494910285E+04 -0.61300E-03 -0.69579E-03 3810 0.584E-02 0.857E-02
RMM: 5 -0.107494898032E+04 0.12252E-03 -0.24687E-03 2882 0.261E-02 0.496E-02
RMM: 6 -0.107494917952E+04 -0.19919E-03 -0.23827E-03 2713 0.189E-02 0.160E-02
RMM: 7 -0.107494932904E+04 -0.14952E-03 -0.16081E-03 2034 0.127E-02 0.122E-02
RMM: 8 -0.107494949181E+04 -0.16277E-03 -0.17236E-03 2027 0.128E-02 0.809E-03
RMM: 9 -0.107494963411E+04 -0.14230E-03 -0.14452E-03 2001 0.127E-02 0.451E-03
RMM: 10 -0.107494978665E+04 -0.15255E-03 -0.15639E-03 2028 0.122E-02 0.234E-03
RMM: 11 -0.107494991140E+04 -0.12475E-03 -0.12809E-03 1868 0.101E-02 0.195E-03
RMM: 12 -0.107495004312E+04 -0.13172E-03 -0.13571E-03 1838 0.113E-02 0.196E-03
RMM: 13 -0.107495015420E+04 -0.11108E-03 -0.11788E-03 1632 0.133E-02 0.221E-03
RMM: 14 -0.107495027607E+04 -0.12187E-03 -0.13060E-03 1659 0.156E-02 0.299E-03
RMM: 15 -0.107495037937E+04 -0.10330E-03 -0.11007E-03 1554 0.140E-02 0.322E-03
RMM: 16 -0.107495048627E+04 -0.10689E-03 -0.11314E-03 1480 0.142E-02 0.388E-03
RMM: 17 -0.107495058439E+04 -0.98122E-04 -0.10589E-03 1606 0.167E-02 0.439E-03
RMM: 18 -0.107495068608E+04 -0.10169E-03 -0.10804E-03 1525 0.144E-02 0.517E-03
RMM: 19 -0.107495077462E+04 -0.88537E-04 -0.94510E-04 1412 0.135E-02
555 T= 652. E= -.10764123E+04 F= -.10749508E+04 E0= -.10749109E+04 EK= 0.13063E+02 SP= -.15E+02 SK= 0.81E-04
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107508808286E+04 -0.13740E+00 -0.11733E+00 3357 0.108E+00 0.344E-01
RMM: 2 -0.107509342640E+04 -0.53435E-02 -0.73803E-02 4081 0.292E-01 0.256E-01
RMM: 3 -0.107509391760E+04 -0.49120E-03 -0.15192E-02 3883 0.108E-01 0.126E-01
RMM: 4 -0.107509444292E+04 -0.52532E-03 -0.60201E-03 3574 0.502E-02 0.704E-02
RMM: 5 -0.107509446325E+04 -0.20323E-04 -0.24545E-03 2782 0.238E-02 0.476E-02
RMM: 6 -0.107509466208E+04 -0.19884E-03 -0.23882E-03 2579 0.179E-02 0.151E-02
RMM: 7 -0.107509481573E+04 -0.15365E-03 -0.16563E-03 1940 0.121E-02 0.104E-02
RMM: 8 -0.107509498625E+04 -0.17052E-03 -0.17926E-03 1918 0.120E-02 0.718E-03
RMM: 9 -0.107509513337E+04 -0.14711E-03 -0.15280E-03 1965 0.140E-02 0.454E-03
RMM: 10 -0.107509529378E+04 -0.16042E-03 -0.16600E-03 1975 0.125E-02 0.191E-03
RMM: 11 -0.107509542601E+04 -0.13223E-03 -0.13723E-03 1920 0.120E-02 0.179E-03
RMM: 12 -0.107509557004E+04 -0.14403E-03 -0.14981E-03 1902 0.126E-02 0.197E-03
RMM: 13 -0.107509568860E+04 -0.11855E-03 -0.12677E-03 1615 0.139E-02 0.279E-03
RMM: 14 -0.107509582058E+04 -0.13198E-03 -0.14083E-03 1649 0.166E-02 0.301E-03
RMM: 15 -0.107509593367E+04 -0.11309E-03 -0.12031E-03 1541 0.153E-02 0.363E-03
RMM: 16 -0.107509605225E+04 -0.11858E-03 -0.12552E-03 1468 0.149E-02 0.440E-03
RMM: 17 -0.107509615707E+04 -0.10482E-03 -0.11161E-03 1543 0.157E-02 0.487E-03
RMM: 18 -0.107509626728E+04 -0.11021E-03 -0.11722E-03 1477 0.155E-02 0.552E-03
RMM: 19 -0.107509636595E+04 -0.98666E-04 -0.10596E-03 1522 0.158E-02 0.611E-03
RMM: 20 -0.107509646766E+04 -0.10171E-03 -0.10805E-03 1445 0.143E-02 0.670E-03
RMM: 21 -0.107509655873E+04 -0.91075E-04 -0.98284E-04 1494 0.151E-02
556 T= 658. E= -.10764446E+04 F= -.10750966E+04 E0= -.10750566E+04 EK= 0.13181E+02 SP= -.15E+02 SK= 0.38E-03
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107494421100E+04 0.15226E+00 -0.11209E+00 3348 0.109E+00 0.277E-01
RMM: 2 -0.107495014520E+04 -0.59342E-02 -0.75449E-02 4123 0.306E-01 0.221E-01
RMM: 3 -0.107495083494E+04 -0.68974E-03 -0.13766E-02 3920 0.106E-01 0.154E-01
RMM: 4 -0.107495113498E+04 -0.30004E-03 -0.57685E-03 3386 0.521E-02 0.645E-02
RMM: 5 -0.107495118378E+04 -0.48802E-04 -0.27613E-03 3247 0.285E-02 0.455E-02
RMM: 6 -0.107495128993E+04 -0.10616E-03 -0.18093E-03 2342 0.158E-02 0.288E-02
RMM: 7 -0.107495144396E+04 -0.15403E-03 -0.16858E-03 2432 0.153E-02 0.136E-02
RMM: 8 -0.107495158010E+04 -0.13614E-03 -0.14788E-03 1853 0.951E-03 0.715E-03
RMM: 9 -0.107495170415E+04 -0.12405E-03 -0.12865E-03 1792 0.912E-03 0.552E-03
RMM: 10 -0.107495183842E+04 -0.13428E-03 -0.13828E-03 2048 0.122E-02 0.687E-03
RMM: 11 -0.107495195113E+04 -0.11271E-03 -0.11895E-03 1819 0.993E-03 0.324E-03
RMM: 12 -0.107495206868E+04 -0.11755E-03 -0.12235E-03 1897 0.111E-02 0.184E-03
RMM: 13 -0.107495217310E+04 -0.10442E-03 -0.10926E-03 1618 0.115E-02 0.208E-03
RMM: 14 -0.107495228043E+04 -0.10733E-03 -0.11314E-03 1491 0.132E-02 0.271E-03
RMM: 15 -0.107495237862E+04 -0.98194E-04 -0.10569E-03 1583 0.149E-02 0.264E-03
RMM: 16 -0.107495247853E+04 -0.99906E-04 -0.10754E-03 1610 0.151E-02 0.267E-03
RMM: 17 -0.107495256854E+04 -0.90010E-04 -0.97938E-04 1643 0.156E-02
557 T= 652. E= -.10764356E+04 F= -.10749526E+04 E0= -.10749125E+04 EK= 0.13072E+02 SP= -.15E+02 SK= 0.23E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107462367987E+04 0.32880E+00 -0.14666E+00 3381 0.124E+00 0.381E-01
RMM: 2 -0.107463015298E+04 -0.64731E-02 -0.95503E-02 4133 0.345E-01 0.288E-01
RMM: 3 -0.107463082565E+04 -0.67267E-03 -0.19120E-02 4074 0.122E-01 0.162E-01
RMM: 4 -0.107463137595E+04 -0.55031E-03 -0.67237E-03 3751 0.580E-02 0.973E-02
RMM: 5 -0.107463113712E+04 0.23883E-03 -0.22739E-03 3050 0.269E-02 0.538E-02
RMM: 6 -0.107463127763E+04 -0.14051E-03 -0.18417E-03 2671 0.177E-02 0.180E-02
RMM: 7 -0.107463140090E+04 -0.12327E-03 -0.13472E-03 1994 0.121E-02 0.122E-02
RMM: 8 -0.107463152101E+04 -0.12011E-03 -0.13065E-03 1912 0.111E-02 0.741E-03
RMM: 9 -0.107463163628E+04 -0.11527E-03 -0.12086E-03 1976 0.128E-02 0.385E-03
RMM: 10 -0.107463175481E+04 -0.11853E-03 -0.12476E-03 2030 0.127E-02 0.207E-03
RMM: 11 -0.107463185734E+04 -0.10253E-03 -0.10668E-03 1817 0.963E-03 0.193E-03
RMM: 12 -0.107463195911E+04 -0.10177E-03 -0.10758E-03 1776 0.115E-02 0.204E-03
RMM: 13 -0.107463205054E+04 -0.91431E-04 -0.98386E-04 1558 0.135E-02
558 T= 640. E= -.10764033E+04 F= -.10746321E+04 E0= -.10745920E+04 EK= 0.12832E+02 SP= -.15E+02 SK= 0.66E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107454378872E+04 0.88170E-01 -0.10497E+00 3417 0.108E+00 0.279E-01
RMM: 2 -0.107454931173E+04 -0.55230E-02 -0.70917E-02 4108 0.299E-01 0.209E-01
RMM: 3 -0.107455049671E+04 -0.11850E-02 -0.15976E-02 4068 0.109E-01 0.147E-01
RMM: 4 -0.107455086480E+04 -0.36809E-03 -0.48861E-03 3618 0.483E-02 0.897E-02
RMM: 5 -0.107455081985E+04 0.44950E-04 -0.23882E-03 2981 0.265E-02 0.338E-02
RMM: 6 -0.107455097502E+04 -0.15517E-03 -0.17962E-03 2132 0.155E-02 0.191E-02
RMM: 7 -0.107455111547E+04 -0.14045E-03 -0.14828E-03 2046 0.132E-02 0.101E-02
RMM: 8 -0.107455125815E+04 -0.14268E-03 -0.14868E-03 1893 0.103E-02 0.478E-03
RMM: 9 -0.107455138160E+04 -0.12345E-03 -0.12669E-03 1832 0.109E-02 0.301E-03
RMM: 10 -0.107455151526E+04 -0.13366E-03 -0.14026E-03 2027 0.143E-02 0.172E-03
RMM: 11 -0.107455163001E+04 -0.11475E-03 -0.12093E-03 1954 0.130E-02 0.143E-03
RMM: 12 -0.107455174708E+04 -0.11706E-03 -0.12312E-03 1843 0.128E-02 0.171E-03
RMM: 13 -0.107455185128E+04 -0.10421E-03 -0.11161E-03 1702 0.149E-02 0.256E-03
RMM: 14 -0.107455196021E+04 -0.10893E-03 -0.11598E-03 1557 0.152E-02 0.285E-03
RMM: 15 -0.107455205850E+04 -0.98290E-04 -0.10563E-03 1513 0.157E-02 0.316E-03
RMM: 16 -0.107455216097E+04 -0.10247E-03 -0.11041E-03 1544 0.153E-02 0.358E-03
RMM: 17 -0.107455225305E+04 -0.92083E-04 -0.99676E-04 1429 0.136E-02
559 T= 640. E= -.10764074E+04 F= -.10745523E+04 E0= -.10745120E+04 EK= 0.12824E+02 SP= -.15E+02 SK= 0.14E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107468528214E+04 -0.13312E+00 -0.83821E-01 3393 0.960E-01 0.264E-01
RMM: 2 -0.107468989330E+04 -0.46112E-02 -0.57290E-02 4090 0.266E-01 0.195E-01
RMM: 3 -0.107469080987E+04 -0.91657E-03 -0.12380E-02 3919 0.945E-02 0.122E-01
RMM: 4 -0.107469126132E+04 -0.45144E-03 -0.49089E-03 3576 0.443E-02 0.738E-02
RMM: 5 -0.107469122572E+04 0.35601E-04 -0.23119E-03 2734 0.227E-02 0.301E-02
RMM: 6 -0.107469139884E+04 -0.17312E-03 -0.19889E-03 2149 0.148E-02 0.126E-02
RMM: 7 -0.107469156323E+04 -0.16439E-03 -0.17239E-03 2140 0.147E-02 0.545E-03
RMM: 8 -0.107469173485E+04 -0.17162E-03 -0.17443E-03 1886 0.103E-02 0.451E-03
RMM: 9 -0.107469188294E+04 -0.14809E-03 -0.15139E-03 1767 0.969E-03 0.310E-03
RMM: 10 -0.107469203864E+04 -0.15570E-03 -0.16107E-03 1980 0.126E-02 0.138E-03
RMM: 11 -0.107469217980E+04 -0.14116E-03 -0.14797E-03 1927 0.136E-02 0.151E-03
RMM: 12 -0.107469232780E+04 -0.14799E-03 -0.15378E-03 1857 0.123E-02 0.183E-03
RMM: 13 -0.107469245827E+04 -0.13048E-03 -0.13488E-03 1506 0.115E-02 0.272E-03
RMM: 14 -0.107469259550E+04 -0.13723E-03 -0.14447E-03 1547 0.148E-02 0.341E-03
RMM: 15 -0.107469272264E+04 -0.12714E-03 -0.13399E-03 1526 0.151E-02 0.404E-03
RMM: 16 -0.107469285301E+04 -0.13036E-03 -0.13759E-03 1561 0.155E-02 0.477E-03
RMM: 17 -0.107469297344E+04 -0.12043E-03 -0.12684E-03 1476 0.144E-02 0.542E-03
RMM: 18 -0.107469309519E+04 -0.12175E-03 -0.12840E-03 1476 0.150E-02 0.611E-03
RMM: 19 -0.107469320884E+04 -0.11365E-03 -0.12130E-03 1493 0.160E-02 0.681E-03
RMM: 20 -0.107469332527E+04 -0.11643E-03 -0.12422E-03 1507 0.163E-02 0.741E-03
RMM: 21 -0.107469343484E+04 -0.10957E-03 -0.11637E-03 1469 0.150E-02 0.805E-03
RMM: 22 -0.107469354373E+04 -0.10890E-03 -0.11516E-03 1454 0.145E-02 0.866E-03
RMM: 23 -0.107469364789E+04 -0.10415E-03 -0.11108E-03 1473 0.152E-02 0.927E-03
RMM: 24 -0.107469375126E+04 -0.10338E-03 -0.11003E-03 1436 0.145E-02 0.992E-03
RMM: 25 -0.107469385106E+04 -0.99801E-04 -0.10682E-03 1444 0.147E-02 0.105E-02
RMM: 26 -0.107469394793E+04 -0.96870E-04 -0.10493E-03 1430 0.149E-02 0.111E-02
RMM: 27 -0.107469404214E+04 -0.94206E-04 -0.10099E-03 1412 0.150E-02 0.117E-02
RMM: 28 -0.107469413329E+04 -0.91149E-04 -0.97312E-04 1388 0.146E-02
560 T= 652. E= -.10764180E+04 F= -.10746941E+04 E0= -.10746537E+04 EK= 0.13060E+02 SP= -.15E+02 SK= 0.23E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107490770365E+04 -0.21366E+00 -0.10175E+00 3352 0.104E+00 0.319E-01
RMM: 2 -0.107491273337E+04 -0.50297E-02 -0.68850E-02 4111 0.287E-01 0.240E-01
RMM: 3 -0.107491381909E+04 -0.10857E-02 -0.15752E-02 4078 0.104E-01 0.170E-01
RMM: 4 -0.107491389345E+04 -0.74355E-04 -0.53723E-03 3610 0.489E-02 0.921E-02
RMM: 5 -0.107491387679E+04 0.16655E-04 -0.21940E-03 2948 0.237E-02 0.333E-02
RMM: 6 -0.107491403974E+04 -0.16294E-03 -0.18223E-03 2245 0.146E-02 0.136E-02
RMM: 7 -0.107491418729E+04 -0.14756E-03 -0.15586E-03 2002 0.118E-02 0.824E-03
RMM: 8 -0.107491433480E+04 -0.14750E-03 -0.15139E-03 1867 0.101E-02 0.461E-03
RMM: 9 -0.107491447410E+04 -0.13930E-03 -0.14346E-03 1922 0.115E-02 0.172E-03
RMM: 10 -0.107491461464E+04 -0.14054E-03 -0.14610E-03 2008 0.127E-02 0.148E-03
RMM: 11 -0.107491474403E+04 -0.12939E-03 -0.13500E-03 1808 0.119E-02 0.154E-03
RMM: 12 -0.107491487220E+04 -0.12817E-03 -0.13349E-03 1708 0.124E-02 0.210E-03
RMM: 13 -0.107491499434E+04 -0.12214E-03 -0.12943E-03 1576 0.146E-02 0.290E-03
RMM: 14 -0.107491511559E+04 -0.12126E-03 -0.12768E-03 1469 0.141E-02 0.355E-03
RMM: 15 -0.107491523113E+04 -0.11554E-03 -0.12244E-03 1504 0.148E-02 0.427E-03
RMM: 16 -0.107491534382E+04 -0.11270E-03 -0.11978E-03 1440 0.147E-02 0.511E-03
RMM: 17 -0.107491545377E+04 -0.10995E-03 -0.11665E-03 1483 0.153E-02 0.575E-03
RMM: 18 -0.107491556143E+04 -0.10766E-03 -0.11480E-03 1428 0.146E-02 0.641E-03
RMM: 19 -0.107491566434E+04 -0.10291E-03 -0.10972E-03 1458 0.148E-02 0.716E-03
RMM: 20 -0.107491576667E+04 -0.10233E-03 -0.10936E-03 1500 0.149E-02 0.777E-03
RMM: 21 -0.107491586403E+04 -0.97362E-04 -0.10355E-03 1414 0.136E-02 0.843E-03
RMM: 22 -0.107491595940E+04 -0.95363E-04 -0.10139E-03 1408 0.136E-02 0.911E-03
RMM: 23 -0.107491605090E+04 -0.91503E-04 -0.97720E-04 1451 0.142E-02
561 T= 669. E= -.10764195E+04 F= -.10749161E+04 E0= -.10748759E+04 EK= 0.13412E+02 SP= -.15E+02 SK= 0.32E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107519048333E+04 -0.27452E+00 -0.98725E-01 3372 0.103E+00 0.277E-01
RMM: 2 -0.107519519978E+04 -0.47165E-02 -0.63991E-02 4112 0.286E-01 0.209E-01
RMM: 3 -0.107519619939E+04 -0.99961E-03 -0.14207E-02 4138 0.102E-01 0.147E-01
RMM: 4 -0.107519639059E+04 -0.19121E-03 -0.44794E-03 3644 0.466E-02 0.857E-02
RMM: 5 -0.107519638034E+04 0.10254E-04 -0.21509E-03 2904 0.239E-02 0.308E-02
RMM: 6 -0.107519650210E+04 -0.12176E-03 -0.14256E-03 2115 0.150E-02 0.144E-02
RMM: 7 -0.107519664252E+04 -0.14042E-03 -0.14855E-03 2075 0.136E-02 0.814E-03
RMM: 8 -0.107519676057E+04 -0.11805E-03 -0.12158E-03 1858 0.936E-03 0.443E-03
RMM: 9 -0.107519688658E+04 -0.12601E-03 -0.12881E-03 1794 0.978E-03 0.260E-03
RMM: 10 -0.107519699802E+04 -0.11144E-03 -0.11632E-03 1937 0.118E-02 0.130E-03
RMM: 11 -0.107519711328E+04 -0.11526E-03 -0.12024E-03 1819 0.114E-02 0.123E-03
RMM: 12 -0.107519721648E+04 -0.10320E-03 -0.10870E-03 1825 0.127E-02 0.155E-03
RMM: 13 -0.107519732343E+04 -0.10695E-03 -0.11355E-03 1545 0.132E-02 0.268E-03
RMM: 14 -0.107519741985E+04 -0.96414E-04 -0.10244E-03 1482 0.139E-02 0.302E-03
RMM: 15 -0.107519751986E+04 -0.10001E-03 -0.10708E-03 1477 0.153E-02 0.355E-03
RMM: 16 -0.107519761171E+04 -0.91849E-04 -0.10006E-03 1461 0.155E-02 0.418E-03
RMM: 17 -0.107519770552E+04 -0.93812E-04 -0.10088E-03 1461 0.146E-02 0.498E-03
RMM: 18 -0.107519779068E+04 -0.85157E-04 -0.91010E-04 1395 0.140E-02
562 T= 691. E= -.10764284E+04 F= -.10751978E+04 E0= -.10751581E+04 EK= 0.13836E+02 SP= -.15E+02 SK= 0.37E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107544389036E+04 -0.24618E+00 -0.10577E+00 3377 0.106E+00 0.307E-01
RMM: 2 -0.107544866712E+04 -0.47768E-02 -0.69162E-02 4088 0.290E-01 0.229E-01
RMM: 3 -0.107544946100E+04 -0.79388E-03 -0.14766E-02 4014 0.104E-01 0.138E-01
RMM: 4 -0.107544994637E+04 -0.48537E-03 -0.54385E-03 3692 0.495E-02 0.865E-02
RMM: 5 -0.107544984452E+04 0.10185E-03 -0.24083E-03 2920 0.245E-02 0.402E-02
RMM: 6 -0.107544999836E+04 -0.15384E-03 -0.17592E-03 2256 0.157E-02 0.142E-02
RMM: 7 -0.107545015825E+04 -0.15989E-03 -0.16650E-03 2082 0.130E-02 0.938E-03
RMM: 8 -0.107545030154E+04 -0.14329E-03 -0.14917E-03 1879 0.102E-02 0.507E-03
RMM: 9 -0.107545044822E+04 -0.14669E-03 -0.15036E-03 1899 0.117E-02 0.249E-03
RMM: 10 -0.107545058937E+04 -0.14115E-03 -0.14705E-03 2090 0.141E-02 0.182E-03
RMM: 11 -0.107545072866E+04 -0.13929E-03 -0.14449E-03 1883 0.121E-02 0.165E-03
RMM: 12 -0.107545085823E+04 -0.12957E-03 -0.13471E-03 1818 0.123E-02 0.184E-03
RMM: 13 -0.107545098748E+04 -0.12925E-03 -0.13606E-03 1605 0.141E-02 0.265E-03
RMM: 14 -0.107545111325E+04 -0.12576E-03 -0.13359E-03 1622 0.159E-02 0.287E-03
RMM: 15 -0.107545123716E+04 -0.12391E-03 -0.13066E-03 1516 0.146E-02 0.350E-03
RMM: 16 -0.107545135524E+04 -0.11808E-03 -0.12524E-03 1527 0.151E-02 0.400E-03
RMM: 17 -0.107545147435E+04 -0.11912E-03 -0.12682E-03 1523 0.155E-02 0.482E-03
RMM: 18 -0.107545158716E+04 -0.11281E-03 -0.12094E-03 1470 0.150E-02 0.528E-03
RMM: 19 -0.107545169783E+04 -0.11067E-03 -0.12082E-03 1502 0.161E-02 0.601E-03
RMM: 20 -0.107545180717E+04 -0.10934E-03 -0.11705E-03 1530 0.157E-02 0.653E-03
RMM: 21 -0.107545191325E+04 -0.10608E-03 -0.11324E-03 1467 0.149E-02 0.722E-03
RMM: 22 -0.107545201725E+04 -0.10400E-03 -0.11196E-03 1515 0.154E-02 0.774E-03
RMM: 23 -0.107545211717E+04 -0.99927E-04 -0.10867E-03 1475 0.151E-02 0.836E-03
RMM: 24 -0.107545221439E+04 -0.97212E-04 -0.10399E-03 1428 0.151E-02 0.895E-03
RMM: 25 -0.107545231192E+04 -0.97529E-04 -0.10489E-03 1487 0.159E-02 0.954E-03
RMM: 26 -0.107545240473E+04 -0.92816E-04 -0.10021E-03 1443 0.154E-02 0.101E-02
RMM: 27 -0.107545249770E+04 -0.92964E-04 -0.10175E-03 1492 0.162E-02 0.107E-02
RMM: 28 -0.107545258565E+04 -0.87954E-04 -0.95150E-04 1426 0.148E-02
563 T= 711. E= -.10764426E+04 F= -.10754526E+04 E0= -.10754129E+04 EK= 0.14239E+02 SP= -.15E+02 SK= 0.37E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107549742092E+04 -0.44923E-01 -0.10950E+00 3397 0.107E+00 0.313E-01
RMM: 2 -0.107550250508E+04 -0.50842E-02 -0.73006E-02 4090 0.295E-01 0.237E-01
RMM: 3 -0.107550318138E+04 -0.67631E-03 -0.15482E-02 4004 0.106E-01 0.140E-01
RMM: 4 -0.107550344270E+04 -0.26132E-03 -0.46367E-03 3484 0.479E-02 0.615E-02
RMM: 5 -0.107550360240E+04 -0.15970E-03 -0.24428E-03 2908 0.240E-02 0.415E-02
RMM: 6 -0.107550371511E+04 -0.11271E-03 -0.16216E-03 2085 0.152E-02 0.164E-02
RMM: 7 -0.107550388038E+04 -0.16527E-03 -0.17385E-03 2159 0.151E-02 0.630E-03
RMM: 8 -0.107550402703E+04 -0.14665E-03 -0.14849E-03 1874 0.970E-03 0.499E-03
RMM: 9 -0.107550417712E+04 -0.15009E-03 -0.15323E-03 1800 0.100E-02 0.348E-03
RMM: 10 -0.107550431500E+04 -0.13788E-03 -0.14373E-03 2087 0.141E-02 0.147E-03
RMM: 11 -0.107550446061E+04 -0.14561E-03 -0.15144E-03 1899 0.134E-02 0.146E-03
RMM: 12 -0.107550459234E+04 -0.13173E-03 -0.13640E-03 1783 0.119E-02 0.164E-03
RMM: 13 -0.107550472822E+04 -0.13588E-03 -0.14267E-03 1622 0.140E-02 0.237E-03
RMM: 14 -0.107550485576E+04 -0.12754E-03 -0.13390E-03 1520 0.146E-02 0.254E-03
RMM: 15 -0.107550498846E+04 -0.13271E-03 -0.14036E-03 1699 0.166E-02 0.258E-03
RMM: 16 -0.107550511302E+04 -0.12456E-03 -0.13040E-03 1563 0.144E-02 0.266E-03
RMM: 17 -0.107550524034E+04 -0.12732E-03 -0.13447E-03 1623 0.156E-02 0.275E-03
RMM: 18 -0.107550535889E+04 -0.11855E-03 -0.12433E-03 1442 0.135E-02 0.297E-03
RMM: 19 -0.107550548040E+04 -0.12151E-03 -0.12936E-03 1561 0.159E-02 0.334E-03
RMM: 20 -0.107550559671E+04 -0.11631E-03 -0.12313E-03 1504 0.148E-02 0.385E-03
RMM: 21 -0.107550571327E+04 -0.11657E-03 -0.12359E-03 1533 0.148E-02 0.427E-03
RMM: 22 -0.107550582391E+04 -0.11064E-03 -0.11655E-03 1421 0.140E-02 0.481E-03
RMM: 23 -0.107550593544E+04 -0.11153E-03 -0.11851E-03 1504 0.157E-02 0.530E-03
RMM: 24 -0.107550604362E+04 -0.10817E-03 -0.11541E-03 1449 0.153E-02 0.580E-03
RMM: 25 -0.107550615054E+04 -0.10693E-03 -0.11411E-03 1428 0.153E-02 0.629E-03
RMM: 26 -0.107550625575E+04 -0.10521E-03 -0.11275E-03 1495 0.160E-02 0.677E-03
RMM: 27 -0.107550635912E+04 -0.10337E-03 -0.11008E-03 1450 0.149E-02 0.724E-03
RMM: 28 -0.107550645819E+04 -0.99073E-04 -0.10555E-03 1400 0.150E-02 0.776E-03
RMM: 29 -0.107550655922E+04 -0.10103E-03 -0.10874E-03 1504 0.168E-02 0.821E-03
RMM: 30 -0.107550665672E+04 -0.97494E-04 -0.10427E-03 1444 0.152E-02 0.868E-03
RMM: 31 -0.107550675294E+04 -0.96223E-04 -0.10313E-03 1434 0.152E-02 0.914E-03
RMM: 32 -0.107550684711E+04 -0.94163E-04 -0.10152E-03 1434 0.157E-02 0.961E-03
RMM: 33 -0.107550693911E+04 -0.92006E-04 -0.98614E-04 1406 0.153E-02
564 T= 721. E= -.10764475E+04 F= -.10755069E+04 E0= -.10754671E+04 EK= 0.14450E+02 SP= -.15E+02 SK= 0.34E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107532343895E+04 0.18341E+00 -0.12636E+00 3362 0.114E+00 0.346E-01
RMM: 2 -0.107532916847E+04 -0.57295E-02 -0.84236E-02 4098 0.322E-01 0.257E-01
RMM: 3 -0.107533017116E+04 -0.10027E-02 -0.18110E-02 4117 0.117E-01 0.177E-01
RMM: 4 -0.107533022626E+04 -0.55099E-04 -0.64357E-03 3630 0.550E-02 0.966E-02
RMM: 5 -0.107533022039E+04 0.58629E-05 -0.24739E-03 3078 0.259E-02 0.447E-02
RMM: 6 -0.107533038963E+04 -0.16924E-03 -0.19153E-03 2515 0.163E-02 0.162E-02
RMM: 7 -0.107533054260E+04 -0.15296E-03 -0.16812E-03 2038 0.124E-02 0.987E-03
RMM: 8 -0.107533069402E+04 -0.15142E-03 -0.15766E-03 1909 0.111E-02 0.602E-03
RMM: 9 -0.107533084968E+04 -0.15565E-03 -0.16137E-03 2031 0.132E-02 0.290E-03
RMM: 10 -0.107533100035E+04 -0.15067E-03 -0.15454E-03 1891 0.108E-02 0.195E-03
RMM: 11 -0.107533114480E+04 -0.14446E-03 -0.14849E-03 1825 0.107E-02 0.145E-03
RMM: 12 -0.107533128765E+04 -0.14285E-03 -0.14867E-03 1877 0.134E-02 0.110E-03
RMM: 13 -0.107533142606E+04 -0.13841E-03 -0.14428E-03 1546 0.127E-02 0.125E-03
RMM: 14 -0.107533156204E+04 -0.13598E-03 -0.14345E-03 1521 0.146E-02 0.203E-03
RMM: 15 -0.107533169509E+04 -0.13306E-03 -0.13969E-03 1459 0.147E-02 0.265E-03
RMM: 16 -0.107533182571E+04 -0.13061E-03 -0.13765E-03 1491 0.161E-02 0.331E-03
RMM: 17 -0.107533195637E+04 -0.13066E-03 -0.13843E-03 1542 0.169E-02 0.391E-03
RMM: 18 -0.107533208360E+04 -0.12723E-03 -0.13425E-03 1451 0.150E-02 0.453E-03
RMM: 19 -0.107533220929E+04 -0.12569E-03 -0.13298E-03 1522 0.153E-02 0.521E-03
RMM: 20 -0.107533233033E+04 -0.12104E-03 -0.12715E-03 1407 0.143E-02 0.589E-03
RMM: 21 -0.107533245206E+04 -0.12173E-03 -0.12980E-03 1498 0.164E-02 0.649E-03
RMM: 22 -0.107533257076E+04 -0.11870E-03 -0.12594E-03 1469 0.152E-02 0.709E-03
RMM: 23 -0.107533268665E+04 -0.11589E-03 -0.12280E-03 1459 0.148E-02 0.770E-03
RMM: 24 -0.107533280126E+04 -0.11461E-03 -0.12150E-03 1448 0.152E-02 0.832E-03
RMM: 25 -0.107533291230E+04 -0.11104E-03 -0.11767E-03 1406 0.145E-02 0.892E-03
RMM: 26 -0.107533302328E+04 -0.11098E-03 -0.11861E-03 1469 0.158E-02 0.948E-03
RMM: 27 -0.107533313061E+04 -0.10732E-03 -0.11419E-03 1416 0.153E-02 0.101E-02
RMM: 28 -0.107533323727E+04 -0.10667E-03 -0.11426E-03 1440 0.160E-02 0.107E-02
RMM: 29 -0.107533334161E+04 -0.10434E-03 -0.11168E-03 1415 0.153E-02 0.112E-02
RMM: 30 -0.107533344403E+04 -0.10242E-03 -0.10962E-03 1422 0.152E-02 0.118E-02
RMM: 31 -0.107533354449E+04 -0.10046E-03 -0.10737E-03 1412 0.148E-02 0.123E-02
RMM: 32 -0.107533364312E+04 -0.98635E-04 -0.10537E-03 1407 0.148E-02 0.129E-02
RMM: 33 -0.107533373981E+04 -0.96687E-04 -0.10339E-03 1386 0.148E-02 0.134E-02
RMM: 34 -0.107533383454E+04 -0.94728E-04 -0.10147E-03 1393 0.149E-02 0.140E-02
RMM: 35 -0.107533392831E+04 -0.93768E-04 -0.10121E-03 1436 0.156E-02 0.145E-02
RMM: 36 -0.107533402000E+04 -0.91688E-04 -0.98536E-04 1374 0.146E-02
565 T= 721. E= -.10764249E+04 F= -.10753340E+04 E0= -.10752941E+04 EK= 0.14453E+02 SP= -.16E+02 SK= 0.30E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107523795170E+04 0.95977E-01 -0.14842E+00 3353 0.124E+00 0.387E-01
RMM: 2 -0.107524488155E+04 -0.69299E-02 -0.10083E-01 4128 0.348E-01 0.297E-01
RMM: 3 -0.107524581347E+04 -0.93192E-03 -0.20958E-02 4044 0.126E-01 0.167E-01
RMM: 4 -0.107524639016E+04 -0.57669E-03 -0.69873E-03 3726 0.600E-02 0.882E-02
RMM: 5 -0.107524625036E+04 0.13980E-03 -0.25085E-03 3054 0.275E-02 0.485E-02
RMM: 6 -0.107524638559E+04 -0.13524E-03 -0.18861E-03 2619 0.180E-02 0.128E-02
RMM: 7 -0.107524653178E+04 -0.14619E-03 -0.15352E-03 1989 0.119E-02 0.730E-03
RMM: 8 -0.107524667366E+04 -0.14188E-03 -0.14500E-03 1958 0.111E-02 0.500E-03
RMM: 9 -0.107524681125E+04 -0.13759E-03 -0.14092E-03 1914 0.114E-02 0.228E-03
RMM: 10 -0.107524694418E+04 -0.13293E-03 -0.13755E-03 1933 0.115E-02 0.206E-03
RMM: 11 -0.107524707083E+04 -0.12664E-03 -0.13070E-03 1852 0.101E-02 0.185E-03
RMM: 12 -0.107524719288E+04 -0.12205E-03 -0.12662E-03 1737 0.112E-02 0.199E-03
RMM: 13 -0.107524730958E+04 -0.11671E-03 -0.12307E-03 1538 0.129E-02 0.281E-03
RMM: 14 -0.107524742773E+04 -0.11814E-03 -0.12636E-03 1632 0.163E-02 0.284E-03
RMM: 15 -0.107524754018E+04 -0.11246E-03 -0.11955E-03 1468 0.142E-02 0.342E-03
RMM: 16 -0.107524764961E+04 -0.10942E-03 -0.11656E-03 1459 0.145E-02 0.417E-03
RMM: 17 -0.107524775751E+04 -0.10790E-03 -0.11508E-03 1541 0.157E-02 0.436E-03
RMM: 18 -0.107524786293E+04 -0.10542E-03 -0.11278E-03 1515 0.154E-02 0.466E-03
RMM: 19 -0.107524796338E+04 -0.10045E-03 -0.10725E-03 1478 0.142E-02 0.472E-03
RMM: 20 -0.107524806326E+04 -0.99880E-04 -0.10733E-03 1630 0.151E-02 0.446E-03
RMM: 21 -0.107524815960E+04 -0.96337E-04 -0.10326E-03 1554 0.145E-02 0.446E-03
RMM: 22 -0.107524825360E+04 -0.94008E-04 -0.10095E-03 1491 0.148E-02 0.479E-03
RMM: 23 -0.107524834664E+04 -0.93041E-04 -0.10062E-03 1530 0.150E-02 0.528E-03
RMM: 24 -0.107524843471E+04 -0.88065E-04 -0.93914E-04 1413 0.131E-02
566 T= 725. E= -.10764185E+04 F= -.10752484E+04 E0= -.10752088E+04 EK= 0.14518E+02 SP= -.16E+02 SK= 0.26E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107532364930E+04 -0.75303E-01 -0.12420E+00 3378 0.113E+00 0.369E-01
RMM: 2 -0.107532957859E+04 -0.59293E-02 -0.85820E-02 4144 0.315E-01 0.279E-01
RMM: 3 -0.107533049195E+04 -0.91336E-03 -0.19302E-02 4035 0.119E-01 0.178E-01
RMM: 4 -0.107533095340E+04 -0.46145E-03 -0.77371E-03 3692 0.584E-02 0.106E-01
RMM: 5 -0.107533081750E+04 0.13589E-03 -0.30662E-03 3070 0.281E-02 0.501E-02
RMM: 6 -0.107533101736E+04 -0.19986E-03 -0.23690E-03 2673 0.178E-02 0.192E-02
RMM: 7 -0.107533121034E+04 -0.19298E-03 -0.20554E-03 2043 0.122E-02 0.118E-02
RMM: 8 -0.107533139359E+04 -0.18325E-03 -0.19077E-03 1968 0.108E-02 0.722E-03
RMM: 9 -0.107533157915E+04 -0.18556E-03 -0.19030E-03 1952 0.118E-02 0.311E-03
RMM: 10 -0.107533176038E+04 -0.18123E-03 -0.18586E-03 1975 0.120E-02 0.191E-03
RMM: 11 -0.107533193427E+04 -0.17388E-03 -0.17778E-03 1761 0.986E-03 0.168E-03
RMM: 12 -0.107533210186E+04 -0.16760E-03 -0.17300E-03 1791 0.117E-02 0.173E-03
RMM: 13 -0.107533226454E+04 -0.16267E-03 -0.16795E-03 1478 0.119E-02 0.235E-03
RMM: 14 -0.107533242606E+04 -0.16153E-03 -0.16819E-03 1552 0.146E-02 0.282E-03
RMM: 15 -0.107533258341E+04 -0.15735E-03 -0.16388E-03 1433 0.140E-02 0.348E-03
RMM: 16 -0.107533273587E+04 -0.15246E-03 -0.15884E-03 1438 0.143E-02 0.412E-03
RMM: 17 -0.107533288654E+04 -0.15067E-03 -0.15751E-03 1491 0.152E-02 0.485E-03
RMM: 18 -0.107533303245E+04 -0.14591E-03 -0.15227E-03 1446 0.150E-02 0.568E-03
RMM: 19 -0.107533317638E+04 -0.14393E-03 -0.15120E-03 1506 0.160E-02 0.651E-03
RMM: 20 -0.107533331764E+04 -0.14126E-03 -0.14766E-03 1464 0.154E-02 0.745E-03
RMM: 21 -0.107533345438E+04 -0.13674E-03 -0.14250E-03 1475 0.149E-02 0.847E-03
RMM: 22 -0.107533359013E+04 -0.13575E-03 -0.14233E-03 1508 0.160E-02 0.948E-03
RMM: 23 -0.107533372155E+04 -0.13142E-03 -0.13793E-03 1507 0.155E-02 0.104E-02
RMM: 24 -0.107533385031E+04 -0.12876E-03 -0.13596E-03 1451 0.156E-02 0.110E-02
RMM: 25 -0.107533397595E+04 -0.12564E-03 -0.13279E-03 1459 0.155E-02 0.116E-02
RMM: 26 -0.107533409811E+04 -0.12216E-03 -0.12918E-03 1415 0.155E-02 0.122E-02
RMM: 27 -0.107533421952E+04 -0.12141E-03 -0.12924E-03 1501 0.163E-02 0.128E-02
RMM: 28 -0.107533433650E+04 -0.11698E-03 -0.12391E-03 1408 0.152E-02 0.134E-02
RMM: 29 -0.107533445058E+04 -0.11408E-03 -0.12158E-03 1436 0.156E-02 0.140E-02
RMM: 30 -0.107533456329E+04 -0.11272E-03 -0.12001E-03 1456 0.159E-02 0.145E-02
RMM: 31 -0.107533467339E+04 -0.11009E-03 -0.11732E-03 1440 0.157E-02 0.151E-02
RMM: 32 -0.107533478068E+04 -0.10729E-03 -0.11447E-03 1423 0.153E-02 0.157E-02
RMM: 33 -0.107533488570E+04 -0.10502E-03 -0.11215E-03 1418 0.154E-02 0.162E-02
RMM: 34 -0.107533498900E+04 -0.10330E-03 -0.11094E-03 1425 0.158E-02 0.168E-02
RMM: 35 -0.107533508998E+04 -0.10098E-03 -0.10813E-03 1419 0.152E-02 0.173E-02
RMM: 36 -0.107533518886E+04 -0.98883E-04 -0.10618E-03 1419 0.155E-02 0.179E-02
RMM: 37 -0.107533528556E+04 -0.96705E-04 -0.10420E-03 1401 0.154E-02 0.184E-02
RMM: 38 -0.107533538016E+04 -0.94595E-04 -0.10152E-03 1390 0.151E-02 0.189E-02
RMM: 39 -0.107533547295E+04 -0.92792E-04 -0.10002E-03 1416 0.153E-02 0.194E-02
RMM: 40 -0.107533556306E+04 -0.90109E-04 -0.96917E-04 1377 0.147E-02
567 T= 734. E= -.10764498E+04 F= -.10753356E+04 E0= -.10752962E+04 EK= 0.14709E+02 SP= -.16E+02 SK= 0.21E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107516918229E+04 0.16629E+00 -0.10541E+00 3371 0.108E+00 0.295E-01
RMM: 2 -0.107517461495E+04 -0.54327E-02 -0.72469E-02 4132 0.304E-01 0.220E-01
RMM: 3 -0.107517543574E+04 -0.82079E-03 -0.14603E-02 4038 0.108E-01 0.163E-01
RMM: 4 -0.107517558665E+04 -0.15091E-03 -0.53967E-03 3653 0.499E-02 0.948E-02
RMM: 5 -0.107517561594E+04 -0.29292E-04 -0.25111E-03 3109 0.273E-02 0.387E-02
RMM: 6 -0.107517576368E+04 -0.14775E-03 -0.17141E-03 2211 0.159E-02 0.266E-02
RMM: 7 -0.107517588479E+04 -0.12110E-03 -0.14819E-03 1995 0.121E-02 0.125E-02
RMM: 8 -0.107517602545E+04 -0.14066E-03 -0.14629E-03 2039 0.116E-02 0.437E-03
RMM: 9 -0.107517616056E+04 -0.13511E-03 -0.13874E-03 1816 0.104E-02 0.321E-03
RMM: 10 -0.107517629498E+04 -0.13443E-03 -0.13995E-03 1993 0.126E-02 0.168E-03
RMM: 11 -0.107517642359E+04 -0.12861E-03 -0.13363E-03 1870 0.119E-02 0.123E-03
RMM: 12 -0.107517655132E+04 -0.12773E-03 -0.13537E-03 1829 0.144E-02 0.135E-03
RMM: 13 -0.107517667596E+04 -0.12465E-03 -0.13215E-03 1565 0.142E-02 0.193E-03
RMM: 14 -0.107517680088E+04 -0.12492E-03 -0.13181E-03 1521 0.147E-02 0.265E-03
RMM: 15 -0.107517692365E+04 -0.12277E-03 -0.13064E-03 1473 0.150E-02 0.317E-03
RMM: 16 -0.107517704277E+04 -0.11912E-03 -0.12742E-03 1435 0.149E-02 0.382E-03
RMM: 17 -0.107517716258E+04 -0.11981E-03 -0.12703E-03 1506 0.161E-02 0.437E-03
RMM: 18 -0.107517728166E+04 -0.11908E-03 -0.12619E-03 1487 0.157E-02 0.497E-03
RMM: 19 -0.107517739909E+04 -0.11743E-03 -0.12422E-03 1459 0.147E-02 0.558E-03
RMM: 20 -0.107517751409E+04 -0.11499E-03 -0.12121E-03 1412 0.142E-02 0.617E-03
RMM: 21 -0.107517762860E+04 -0.11451E-03 -0.12190E-03 1462 0.152E-02 0.677E-03
RMM: 22 -0.107517774076E+04 -0.11216E-03 -0.11885E-03 1409 0.147E-02 0.736E-03
RMM: 23 -0.107517785288E+04 -0.11212E-03 -0.12011E-03 1518 0.161E-02 0.795E-03
RMM: 24 -0.107517796296E+04 -0.11007E-03 -0.11701E-03 1420 0.149E-02 0.851E-03
RMM: 25 -0.107517807250E+04 -0.10955E-03 -0.11675E-03 1451 0.154E-02 0.910E-03
RMM: 26 -0.107517818003E+04 -0.10753E-03 -0.11511E-03 1451 0.156E-02 0.964E-03
RMM: 27 -0.107517828767E+04 -0.10764E-03 -0.11495E-03 1461 0.156E-02 0.102E-02
RMM: 28 -0.107517839309E+04 -0.10541E-03 -0.11191E-03 1418 0.146E-02 0.108E-02
RMM: 29 -0.107517849660E+04 -0.10352E-03 -0.10992E-03 1388 0.145E-02 0.113E-02
RMM: 30 -0.107517860007E+04 -0.10347E-03 -0.11040E-03 1425 0.152E-02 0.118E-02
RMM: 31 -0.107517870134E+04 -0.10127E-03 -0.10799E-03 1380 0.147E-02 0.124E-02
RMM: 32 -0.107517880216E+04 -0.10081E-03 -0.10772E-03 1395 0.150E-02 0.129E-02
RMM: 33 -0.107517890125E+04 -0.99095E-04 -0.10607E-03 1396 0.150E-02 0.134E-02
RMM: 34 -0.107517899955E+04 -0.98300E-04 -0.10522E-03 1418 0.149E-02 0.139E-02
RMM: 35 -0.107517909729E+04 -0.97741E-04 -0.10452E-03 1405 0.149E-02 0.144E-02
RMM: 36 -0.107517919335E+04 -0.96058E-04 -0.10327E-03 1384 0.148E-02 0.149E-02
RMM: 37 -0.107517928796E+04 -0.94613E-04 -0.10126E-03 1350 0.144E-02 0.154E-02
RMM: 38 -0.107517938081E+04 -0.92845E-04 -0.99505E-04 1357 0.147E-02
568 T= 732. E= -.10764475E+04 F= -.10751794E+04 E0= -.10751404E+04 EK= 0.14675E+02 SP= -.16E+02 SK= 0.17E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107473629942E+04 0.44299E+00 -0.14913E+00 3354 0.128E+00 0.372E-01
RMM: 2 -0.107474263563E+04 -0.63362E-02 -0.95227E-02 4155 0.358E-01 0.275E-01
RMM: 3 -0.107474336212E+04 -0.72650E-03 -0.18559E-02 4105 0.124E-01 0.167E-01
RMM: 4 -0.107474389338E+04 -0.53126E-03 -0.72848E-03 3688 0.596E-02 0.915E-02
RMM: 5 -0.107474377716E+04 0.11623E-03 -0.29691E-03 3162 0.289E-02 0.517E-02
RMM: 6 -0.107474391234E+04 -0.13518E-03 -0.20856E-03 2642 0.183E-02 0.254E-02
RMM: 7 -0.107474408878E+04 -0.17644E-03 -0.18377E-03 2118 0.129E-02 0.925E-03
RMM: 8 -0.107474425201E+04 -0.16323E-03 -0.16842E-03 1937 0.997E-03 0.683E-03
RMM: 9 -0.107474441117E+04 -0.15916E-03 -0.16211E-03 1867 0.107E-02 0.507E-03
RMM: 10 -0.107474457448E+04 -0.16331E-03 -0.17054E-03 2238 0.159E-02 0.297E-03
RMM: 11 -0.107474472877E+04 -0.15428E-03 -0.15940E-03 1888 0.113E-02 0.205E-03
RMM: 12 -0.107474488055E+04 -0.15178E-03 -0.15762E-03 1905 0.127E-02 0.196E-03
RMM: 13 -0.107474502611E+04 -0.14556E-03 -0.15162E-03 1512 0.128E-02 0.253E-03
RMM: 14 -0.107474517548E+04 -0.14937E-03 -0.15825E-03 1629 0.166E-02 0.286E-03
RMM: 15 -0.107474531893E+04 -0.14345E-03 -0.15362E-03 1556 0.151E-02 0.332E-03
RMM: 16 -0.107474545971E+04 -0.14077E-03 -0.14683E-03 1435 0.138E-02 0.387E-03
RMM: 17 -0.107474559890E+04 -0.13919E-03 -0.14692E-03 1568 0.159E-02 0.450E-03
RMM: 18 -0.107474573676E+04 -0.13786E-03 -0.14509E-03 1528 0.160E-02 0.484E-03
RMM: 19 -0.107474587326E+04 -0.13650E-03 -0.14440E-03 1607 0.162E-02 0.512E-03
RMM: 20 -0.107474600612E+04 -0.13286E-03 -0.13961E-03 1559 0.148E-02 0.528E-03
RMM: 21 -0.107474613754E+04 -0.13142E-03 -0.13877E-03 1579 0.155E-02 0.559E-03
RMM: 22 -0.107474626696E+04 -0.12942E-03 -0.13695E-03 1511 0.156E-02 0.605E-03
RMM: 23 -0.107474639446E+04 -0.12750E-03 -0.13518E-03 1492 0.155E-02 0.659E-03
RMM: 24 -0.107474651965E+04 -0.12520E-03 -0.13267E-03 1469 0.150E-02 0.714E-03
RMM: 25 -0.107474664236E+04 -0.12271E-03 -0.12931E-03 1446 0.149E-02 0.772E-03
RMM: 26 -0.107474676429E+04 -0.12193E-03 -0.12915E-03 1455 0.157E-02 0.827E-03
RMM: 27 -0.107474688430E+04 -0.12001E-03 -0.12740E-03 1461 0.157E-02 0.881E-03
RMM: 28 -0.107474700241E+04 -0.11811E-03 -0.12589E-03 1481 0.156E-02 0.937E-03
RMM: 29 -0.107474711784E+04 -0.11542E-03 -0.12219E-03 1416 0.152E-02 0.996E-03
RMM: 30 -0.107474723262E+04 -0.11478E-03 -0.12267E-03 1462 0.161E-02 0.106E-02
RMM: 31 -0.107474734509E+04 -0.11247E-03 -0.11955E-03 1445 0.152E-02 0.111E-02
RMM: 32 -0.107474745643E+04 -0.11134E-03 -0.11848E-03 1454 0.155E-02 0.117E-02
RMM: 33 -0.107474756624E+04 -0.10981E-03 -0.11697E-03 1441 0.153E-02 0.122E-02
RMM: 34 -0.107474767332E+04 -0.10708E-03 -0.11399E-03 1393 0.150E-02 0.128E-02
RMM: 35 -0.107474778011E+04 -0.10679E-03 -0.11431E-03 1475 0.163E-02 0.133E-02
RMM: 36 -0.107474788586E+04 -0.10574E-03 -0.11328E-03 1455 0.156E-02 0.138E-02
RMM: 37 -0.107474798909E+04 -0.10324E-03 -0.11055E-03 1412 0.151E-02 0.144E-02
RMM: 38 -0.107474809084E+04 -0.10175E-03 -0.10885E-03 1431 0.151E-02 0.149E-02
RMM: 39 -0.107474819200E+04 -0.10117E-03 -0.10848E-03 1431 0.155E-02 0.154E-02
RMM: 40 -0.107474829146E+04 -0.99460E-04 -0.10674E-03 1414 0.151E-02 0.159E-02
RMM: 41 -0.107474838910E+04 -0.97640E-04 -0.10454E-03 1399 0.149E-02 0.164E-02
RMM: 42 -0.107474848541E+04 -0.96303E-04 -0.10384E-03 1426 0.156E-02 0.170E-02
RMM: 43 -0.107474858084E+04 -0.95438E-04 -0.10300E-03 1421 0.156E-02 0.175E-02
RMM: 44 -0.107474867542E+04 -0.94578E-04 -0.10212E-03 1412 0.154E-02 0.179E-02
RMM: 45 -0.107474876740E+04 -0.91982E-04 -0.98775E-04 1379 0.150E-02
569 T= 718. E= -.10764099E+04 F= -.10747488E+04 E0= -.10747105E+04 EK= 0.14385E+02 SP= -.16E+02 SK= 0.13E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107449597432E+04 0.25270E+00 -0.13155E+00 3346 0.122E+00 0.309E-01
RMM: 2 -0.107450244487E+04 -0.64705E-02 -0.86844E-02 4144 0.340E-01 0.236E-01
RMM: 3 -0.107450350120E+04 -0.10563E-02 -0.17074E-02 4118 0.120E-01 0.174E-01
RMM: 4 -0.107450372816E+04 -0.22696E-03 -0.54614E-03 3660 0.555E-02 0.937E-02
RMM: 5 -0.107450370715E+04 0.21011E-04 -0.24009E-03 3134 0.291E-02 0.406E-02
RMM: 6 -0.107450379787E+04 -0.90714E-04 -0.13403E-03 2243 0.163E-02 0.244E-02
RMM: 7 -0.107450391934E+04 -0.12147E-03 -0.13314E-03 2075 0.134E-02 0.136E-02
RMM: 8 -0.107450402048E+04 -0.10115E-03 -0.10979E-03 1895 0.104E-02 0.584E-03
RMM: 9 -0.107450412875E+04 -0.10827E-03 -0.11169E-03 1834 0.112E-02 0.354E-03
RMM: 10 -0.107450423456E+04 -0.10581E-03 -0.11242E-03 2059 0.147E-02 0.175E-03
RMM: 11 -0.107450433620E+04 -0.10164E-03 -0.10647E-03 1827 0.111E-02 0.146E-03
RMM: 12 -0.107450443132E+04 -0.95124E-04 -0.10063E-03 1723 0.125E-02 0.154E-03
RMM: 13 -0.107450452630E+04 -0.94979E-04 -0.10168E-03 1533 0.141E-02 0.191E-03
RMM: 14 -0.107450462065E+04 -0.94348E-04 -0.10185E-03 1564 0.159E-02 0.245E-03
RMM: 15 -0.107450471395E+04 -0.93305E-04 -0.99849E-04 1419 0.141E-02
570 T= 711. E= -.10764041E+04 F= -.10745047E+04 E0= -.10744669E+04 EK= 0.14240E+02 SP= -.16E+02 SK= 0.12E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107455181525E+04 -0.47195E-01 -0.92986E-01 3359 0.104E+00 0.260E-01
RMM: 2 -0.107455686821E+04 -0.50530E-02 -0.65513E-02 4134 0.287E-01 0.190E-01
RMM: 3 -0.107455799261E+04 -0.11244E-02 -0.14545E-02 4042 0.102E-01 0.134E-01
RMM: 4 -0.107455841308E+04 -0.42047E-03 -0.54784E-03 3549 0.479E-02 0.646E-02
RMM: 5 -0.107455859154E+04 -0.17846E-03 -0.33651E-03 2974 0.250E-02 0.292E-02
RMM: 6 -0.107455880069E+04 -0.20915E-03 -0.24591E-03 2133 0.157E-02 0.177E-02
RMM: 7 -0.107455904654E+04 -0.24585E-03 -0.25521E-03 2211 0.156E-02 0.900E-03
RMM: 8 -0.107455926681E+04 -0.22027E-03 -0.22495E-03 1915 0.948E-03 0.531E-03
RMM: 9 -0.107455949090E+04 -0.22409E-03 -0.22637E-03 1807 0.961E-03 0.372E-03
RMM: 10 -0.107455970227E+04 -0.21137E-03 -0.21564E-03 2069 0.135E-02 0.190E-03
RMM: 11 -0.107455991696E+04 -0.21469E-03 -0.22090E-03 1924 0.139E-02 0.183E-03
RMM: 12 -0.107456011917E+04 -0.20220E-03 -0.20802E-03 1790 0.127E-02 0.219E-03
RMM: 13 -0.107456032175E+04 -0.20258E-03 -0.20894E-03 1582 0.136E-02 0.314E-03
RMM: 14 -0.107456051699E+04 -0.19524E-03 -0.20260E-03 1519 0.151E-02 0.364E-03
RMM: 15 -0.107456071268E+04 -0.19569E-03 -0.20277E-03 1518 0.153E-02 0.405E-03
RMM: 16 -0.107456090309E+04 -0.19041E-03 -0.19831E-03 1565 0.155E-02 0.421E-03
RMM: 17 -0.107456109036E+04 -0.18727E-03 -0.19439E-03 1467 0.143E-02 0.431E-03
RMM: 18 -0.107456127401E+04 -0.18366E-03 -0.19107E-03 1575 0.152E-02 0.401E-03
RMM: 19 -0.107456145538E+04 -0.18137E-03 -0.18821E-03 1531 0.144E-02 0.389E-03
RMM: 20 -0.107456163127E+04 -0.17588E-03 -0.18261E-03 1494 0.139E-02 0.374E-03
RMM: 21 -0.107456180582E+04 -0.17455E-03 -0.18191E-03 1514 0.148E-02 0.379E-03
RMM: 22 -0.107456197547E+04 -0.16965E-03 -0.17639E-03 1457 0.143E-02 0.420E-03
RMM: 23 -0.107456214498E+04 -0.16951E-03 -0.17663E-03 1498 0.151E-02 0.497E-03
RMM: 24 -0.107456230908E+04 -0.16410E-03 -0.17100E-03 1484 0.143E-02 0.525E-03
RMM: 25 -0.107456247073E+04 -0.16165E-03 -0.16817E-03 1429 0.145E-02 0.590E-03
RMM: 26 -0.107456262978E+04 -0.15905E-03 -0.16645E-03 1466 0.155E-02 0.657E-03
RMM: 27 -0.107456278641E+04 -0.15663E-03 -0.16410E-03 1428 0.151E-02 0.719E-03
RMM: 28 -0.107456293989E+04 -0.15349E-03 -0.16098E-03 1461 0.154E-02 0.777E-03
RMM: 29 -0.107456308996E+04 -0.15007E-03 -0.15787E-03 1439 0.157E-02 0.837E-03
RMM: 30 -0.107456323848E+04 -0.14852E-03 -0.15631E-03 1452 0.160E-02 0.897E-03
RMM: 31 -0.107456338460E+04 -0.14612E-03 -0.15333E-03 1462 0.155E-02 0.959E-03
RMM: 32 -0.107456352690E+04 -0.14230E-03 -0.14926E-03 1430 0.152E-02 0.102E-02
RMM: 33 -0.107456366798E+04 -0.14108E-03 -0.14864E-03 1465 0.160E-02 0.108E-02
RMM: 34 -0.107456380510E+04 -0.13712E-03 -0.14428E-03 1434 0.155E-02 0.114E-02
RMM: 35 -0.107456394148E+04 -0.13638E-03 -0.14395E-03 1443 0.161E-02 0.120E-02
RMM: 36 -0.107456407524E+04 -0.13376E-03 -0.14098E-03 1449 0.157E-02 0.125E-02
RMM: 37 -0.107456420617E+04 -0.13094E-03 -0.13818E-03 1422 0.154E-02 0.131E-02
RMM: 38 -0.107456433521E+04 -0.12904E-03 -0.13663E-03 1441 0.158E-02 0.137E-02
RMM: 39 -0.107456446124E+04 -0.12603E-03 -0.13327E-03 1409 0.154E-02 0.142E-02
RMM: 40 -0.107456458601E+04 -0.12478E-03 -0.13231E-03 1443 0.158E-02 0.148E-02
RMM: 41 -0.107456470853E+04 -0.12252E-03 -0.13011E-03 1433 0.155E-02 0.153E-02
RMM: 42 -0.107456482700E+04 -0.11847E-03 -0.12588E-03 1391 0.152E-02 0.159E-02
RMM: 43 -0.107456494563E+04 -0.11863E-03 -0.12622E-03 1439 0.163E-02 0.164E-02
RMM: 44 -0.107456506160E+04 -0.11597E-03 -0.12320E-03 1436 0.154E-02 0.169E-02
RMM: 45 -0.107456517545E+04 -0.11385E-03 -0.12051E-03 1382 0.148E-02 0.174E-02
RMM: 46 -0.107456528718E+04 -0.11173E-03 -0.11839E-03 1379 0.149E-02 0.179E-02
RMM: 47 -0.107456539762E+04 -0.11045E-03 -0.11694E-03 1388 0.150E-02 0.186E-02
RMM: 48 -0.107456550500E+04 -0.10738E-03 -0.11398E-03 1326 0.144E-02 0.191E-02
RMM: 49 -0.107456561027E+04 -0.10526E-03 -0.11234E-03 1386 0.153E-02 0.196E-02
RMM: 50 -0.107456571458E+04 -0.10432E-03 -0.11168E-03 1397 0.155E-02 0.201E-02
RMM: 51 -0.107456581700E+04 -0.10241E-03 -0.10974E-03 1387 0.150E-02 0.206E-02
RMM: 52 -0.107456591647E+04 -0.99479E-04 -0.10598E-03 1334 0.144E-02 0.210E-02
RMM: 53 -0.107456601451E+04 -0.98036E-04 -0.10522E-03 1387 0.153E-02 0.214E-02
RMM: 54 -0.107456611105E+04 -0.96544E-04 -0.10402E-03 1384 0.152E-02 0.218E-02
RMM: 55 -0.107456620593E+04 -0.94878E-04 -0.10184E-03 1382 0.148E-02 0.222E-02
RMM: 56 -0.107456629886E+04 -0.92925E-04 -0.99369E-04 1361 0.146E-02
571 T= 718. E= -.10764157E+04 F= -.10745663E+04 E0= -.10745276E+04 EK= 0.14381E+02 SP= -.16E+02 SK= 0.10E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107479007832E+04 -0.22387E+00 -0.10531E+00 3331 0.107E+00 0.341E-01
RMM: 2 -0.107479506392E+04 -0.49856E-02 -0.71824E-02 4130 0.292E-01 0.254E-01
RMM: 3 -0.107479602548E+04 -0.96155E-03 -0.16074E-02 4112 0.105E-01 0.168E-01
RMM: 4 -0.107479625210E+04 -0.22662E-03 -0.59755E-03 3617 0.510E-02 0.887E-02
RMM: 5 -0.107479621342E+04 0.38681E-04 -0.25043E-03 2988 0.253E-02 0.374E-02
RMM: 6 -0.107479638158E+04 -0.16816E-03 -0.19838E-03 2372 0.157E-02 0.177E-02
RMM: 7 -0.107479654572E+04 -0.16414E-03 -0.17631E-03 2041 0.123E-02 0.908E-03
RMM: 8 -0.107479671017E+04 -0.16445E-03 -0.16933E-03 1943 0.108E-02 0.518E-03
RMM: 9 -0.107479687249E+04 -0.16231E-03 -0.16538E-03 1897 0.114E-02 0.251E-03
RMM: 10 -0.107479703526E+04 -0.16278E-03 -0.16802E-03 2062 0.136E-02 0.145E-03
RMM: 11 -0.107479718959E+04 -0.15433E-03 -0.15879E-03 1783 0.114E-02 0.133E-03
RMM: 12 -0.107479734297E+04 -0.15338E-03 -0.15945E-03 1782 0.135E-02 0.156E-03
RMM: 13 -0.107479749200E+04 -0.14903E-03 -0.15646E-03 1537 0.143E-02 0.234E-03
RMM: 14 -0.107479764226E+04 -0.15026E-03 -0.15686E-03 1549 0.150E-02 0.284E-03
RMM: 15 -0.107479778778E+04 -0.14553E-03 -0.15235E-03 1474 0.145E-02 0.340E-03
RMM: 16 -0.107479793195E+04 -0.14417E-03 -0.15104E-03 1451 0.152E-02 0.411E-03
RMM: 17 -0.107479807388E+04 -0.14192E-03 -0.14971E-03 1502 0.160E-02 0.462E-03
RMM: 18 -0.107479821460E+04 -0.14072E-03 -0.14889E-03 1508 0.159E-02 0.510E-03
RMM: 19 -0.107479835039E+04 -0.13579E-03 -0.14458E-03 1532 0.160E-02 0.567E-03
RMM: 20 -0.107479848717E+04 -0.13677E-03 -0.14391E-03 1506 0.155E-02 0.625E-03
RMM: 21 -0.107479861955E+04 -0.13238E-03 -0.13899E-03 1447 0.148E-02 0.692E-03
RMM: 22 -0.107479875045E+04 -0.13090E-03 -0.13812E-03 1461 0.153E-02 0.745E-03
RMM: 23 -0.107479887993E+04 -0.12948E-03 -0.13687E-03 1511 0.158E-02 0.809E-03
RMM: 24 -0.107479900615E+04 -0.12622E-03 -0.13323E-03 1441 0.150E-02 0.872E-03
RMM: 25 -0.107479913145E+04 -0.12530E-03 -0.13314E-03 1479 0.160E-02 0.929E-03
RMM: 26 -0.107479925456E+04 -0.12311E-03 -0.13035E-03 1448 0.157E-02 0.992E-03
RMM: 27 -0.107479937540E+04 -0.12083E-03 -0.12836E-03 1451 0.157E-02 0.105E-02
RMM: 28 -0.107479949519E+04 -0.11979E-03 -0.12706E-03 1476 0.156E-02 0.111E-02
RMM: 29 -0.107479961215E+04 -0.11696E-03 -0.12358E-03 1407 0.149E-02 0.117E-02
RMM: 30 -0.107479972746E+04 -0.11531E-03 -0.12263E-03 1437 0.155E-02 0.123E-02
RMM: 31 -0.107479983999E+04 -0.11253E-03 -0.11954E-03 1423 0.151E-02 0.129E-02
RMM: 32 -0.107479995248E+04 -0.11249E-03 -0.11956E-03 1448 0.155E-02 0.134E-02
RMM: 33 -0.107480006137E+04 -0.10890E-03 -0.11570E-03 1394 0.151E-02 0.140E-02
RMM: 34 -0.107480016918E+04 -0.10781E-03 -0.11522E-03 1436 0.157E-02 0.146E-02
RMM: 35 -0.107480027577E+04 -0.10658E-03 -0.11394E-03 1452 0.157E-02 0.151E-02
RMM: 36 -0.107480037991E+04 -0.10414E-03 -0.11120E-03 1404 0.153E-02 0.157E-02
RMM: 37 -0.107480048236E+04 -0.10245E-03 -0.10978E-03 1422 0.158E-02 0.162E-02
RMM: 38 -0.107480058364E+04 -0.10128E-03 -0.10880E-03 1442 0.158E-02 0.168E-02
RMM: 39 -0.107480068221E+04 -0.98569E-04 -0.10550E-03 1391 0.151E-02 0.173E-02
RMM: 40 -0.107480078012E+04 -0.97911E-04 -0.10490E-03 1417 0.155E-02 0.178E-02
RMM: 41 -0.107480087655E+04 -0.96432E-04 -0.10352E-03 1425 0.154E-02 0.184E-02
RMM: 42 -0.107480097065E+04 -0.94098E-04 -0.10075E-03 1404 0.149E-02 0.189E-02
RMM: 43 -0.107480106375E+04 -0.93104E-04 -0.99897E-04 1423 0.151E-02
572 T= 733. E= -.10764238E+04 F= -.10748011E+04 E0= -.10747617E+04 EK= 0.14691E+02 SP= -.16E+02 SK= 0.79E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107507851447E+04 -0.27754E+00 -0.94361E-01 3356 0.101E+00 0.288E-01
RMM: 2 -0.107508321294E+04 -0.46985E-02 -0.65367E-02 4124 0.282E-01 0.214E-01
RMM: 3 -0.107508425197E+04 -0.10390E-02 -0.15281E-02 4118 0.100E-01 0.154E-01
RMM: 4 -0.107508445359E+04 -0.20162E-03 -0.53069E-03 3563 0.465E-02 0.819E-02
RMM: 5 -0.107508458243E+04 -0.12884E-03 -0.31546E-03 3066 0.267E-02 0.310E-02
RMM: 6 -0.107508477928E+04 -0.19685E-03 -0.22256E-03 2169 0.156E-02 0.195E-02
RMM: 7 -0.107508497970E+04 -0.20043E-03 -0.21433E-03 2046 0.127E-02 0.107E-02
RMM: 8 -0.107508517112E+04 -0.19142E-03 -0.19652E-03 2004 0.111E-02 0.366E-03
RMM: 9 -0.107508536305E+04 -0.19193E-03 -0.19532E-03 1845 0.112E-02 0.270E-03
RMM: 10 -0.107508554722E+04 -0.18417E-03 -0.18970E-03 2000 0.134E-02 0.186E-03
RMM: 11 -0.107508572724E+04 -0.18001E-03 -0.18477E-03 1852 0.117E-02 0.135E-03
RMM: 12 -0.107508589787E+04 -0.17063E-03 -0.17577E-03 1760 0.130E-02 0.131E-03
RMM: 13 -0.107508607018E+04 -0.17231E-03 -0.18045E-03 1647 0.157E-02 0.161E-03
RMM: 14 -0.107508623588E+04 -0.16570E-03 -0.17254E-03 1514 0.147E-02 0.278E-03
RMM: 15 -0.107508640099E+04 -0.16511E-03 -0.17191E-03 1498 0.148E-02 0.313E-03
RMM: 16 -0.107508655959E+04 -0.15860E-03 -0.16537E-03 1456 0.143E-02 0.357E-03
RMM: 17 -0.107508671670E+04 -0.15711E-03 -0.16565E-03 1549 0.158E-02 0.367E-03
RMM: 18 -0.107508687144E+04 -0.15473E-03 -0.16255E-03 1559 0.155E-02 0.381E-03
RMM: 19 -0.107508702404E+04 -0.15260E-03 -0.15899E-03 1462 0.138E-02 0.416E-03
RMM: 20 -0.107508717075E+04 -0.14671E-03 -0.15296E-03 1400 0.136E-02 0.492E-03
RMM: 21 -0.107508731656E+04 -0.14582E-03 -0.15287E-03 1480 0.150E-02 0.578E-03
RMM: 22 -0.107508745932E+04 -0.14275E-03 -0.14985E-03 1457 0.147E-02 0.647E-03
RMM: 23 -0.107508759941E+04 -0.14010E-03 -0.14698E-03 1415 0.148E-02 0.723E-03
RMM: 24 -0.107508773653E+04 -0.13712E-03 -0.14468E-03 1474 0.156E-02 0.796E-03
RMM: 25 -0.107508787273E+04 -0.13620E-03 -0.14354E-03 1478 0.153E-02 0.872E-03
RMM: 26 -0.107508800297E+04 -0.13024E-03 -0.13709E-03 1397 0.145E-02 0.947E-03
RMM: 27 -0.107508813319E+04 -0.13022E-03 -0.13788E-03 1489 0.159E-02 0.102E-02
RMM: 28 -0.107508826134E+04 -0.12815E-03 -0.13525E-03 1439 0.154E-02 0.109E-02
RMM: 29 -0.107508838578E+04 -0.12445E-03 -0.13107E-03 1412 0.145E-02 0.116E-02
RMM: 30 -0.107508850781E+04 -0.12203E-03 -0.12892E-03 1435 0.150E-02 0.124E-02
RMM: 31 -0.107508862767E+04 -0.11986E-03 -0.12696E-03 1428 0.153E-02 0.131E-02
RMM: 32 -0.107508874545E+04 -0.11778E-03 -0.12507E-03 1413 0.155E-02 0.138E-02
RMM: 33 -0.107508886137E+04 -0.11593E-03 -0.12352E-03 1445 0.159E-02 0.145E-02
RMM: 34 -0.107508897464E+04 -0.11327E-03 -0.12069E-03 1423 0.157E-02 0.152E-02
RMM: 35 -0.107508908697E+04 -0.11233E-03 -0.11969E-03 1457 0.156E-02 0.158E-02
RMM: 36 -0.107508919623E+04 -0.10926E-03 -0.11634E-03 1417 0.150E-02 0.165E-02
RMM: 37 -0.107508930362E+04 -0.10739E-03 -0.11452E-03 1439 0.151E-02 0.172E-02
RMM: 38 -0.107508940842E+04 -0.10480E-03 -0.11178E-03 1409 0.149E-02 0.178E-02
RMM: 39 -0.107508951118E+04 -0.10276E-03 -0.11005E-03 1422 0.158E-02 0.185E-02
RMM: 40 -0.107508961443E+04 -0.10325E-03 -0.11129E-03 1491 0.164E-02 0.191E-02
RMM: 41 -0.107508971378E+04 -0.99346E-04 -0.10557E-03 1363 0.141E-02 0.197E-02
RMM: 42 -0.107508981136E+04 -0.97582E-04 -0.10451E-03 1405 0.151E-02 0.203E-02
RMM: 43 -0.107508990771E+04 -0.96350E-04 -0.10365E-03 1417 0.154E-02 0.210E-02
RMM: 44 -0.107509000221E+04 -0.94505E-04 -0.10121E-03 1402 0.147E-02 0.216E-02
RMM: 45 -0.107509009437E+04 -0.92161E-04 -0.98851E-04 1400 0.147E-02
573 T= 750. E= -.10764405E+04 F= -.10750901E+04 E0= -.10750513E+04 EK= 0.15034E+02 SP= -.16E+02 SK= 0.43E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107523447684E+04 -0.14447E+00 -0.10421E+00 3341 0.107E+00 0.284E-01
RMM: 2 -0.107523975147E+04 -0.52746E-02 -0.71275E-02 4091 0.293E-01 0.216E-01
RMM: 3 -0.107524079454E+04 -0.10431E-02 -0.15572E-02 4044 0.104E-01 0.159E-01
RMM: 4 -0.107524111912E+04 -0.32459E-03 -0.54184E-03 3558 0.484E-02 0.912E-02
RMM: 5 -0.107524116055E+04 -0.41426E-04 -0.30787E-03 3081 0.283E-02 0.364E-02
RMM: 6 -0.107524131600E+04 -0.15545E-03 -0.19718E-03 2146 0.159E-02 0.219E-02
RMM: 7 -0.107524150242E+04 -0.18642E-03 -0.19802E-03 2156 0.136E-02 0.937E-03
RMM: 8 -0.107524167101E+04 -0.16859E-03 -0.17316E-03 1875 0.993E-03 0.545E-03
RMM: 9 -0.107524183860E+04 -0.16758E-03 -0.17090E-03 1755 0.105E-02 0.365E-03
RMM: 10 -0.107524200532E+04 -0.16672E-03 -0.17340E-03 2106 0.153E-02 0.195E-03
RMM: 11 -0.107524216670E+04 -0.16137E-03 -0.16488E-03 1836 0.109E-02 0.157E-03
RMM: 12 -0.107524232091E+04 -0.15422E-03 -0.15971E-03 1780 0.131E-02 0.153E-03
RMM: 13 -0.107524247319E+04 -0.15228E-03 -0.15966E-03 1518 0.148E-02 0.237E-03
RMM: 14 -0.107524262635E+04 -0.15316E-03 -0.16093E-03 1624 0.170E-02 0.264E-03
RMM: 15 -0.107524277510E+04 -0.14875E-03 -0.15425E-03 1423 0.137E-02 0.314E-03
RMM: 16 -0.107524292107E+04 -0.14597E-03 -0.15273E-03 1502 0.146E-02 0.365E-03
RMM: 17 -0.107524306405E+04 -0.14299E-03 -0.14860E-03 1411 0.134E-02 0.429E-03
RMM: 18 -0.107524320339E+04 -0.13933E-03 -0.14525E-03 1403 0.142E-02 0.487E-03
RMM: 19 -0.107524334148E+04 -0.13809E-03 -0.14491E-03 1447 0.150E-02 0.545E-03
RMM: 20 -0.107524347749E+04 -0.13601E-03 -0.14273E-03 1451 0.148E-02 0.604E-03
RMM: 21 -0.107524360962E+04 -0.13213E-03 -0.13801E-03 1385 0.136E-02 0.668E-03
RMM: 22 -0.107524374002E+04 -0.13040E-03 -0.13757E-03 1417 0.151E-02 0.721E-03
RMM: 23 -0.107524386943E+04 -0.12941E-03 -0.13683E-03 1442 0.157E-02 0.777E-03
RMM: 24 -0.107524399637E+04 -0.12694E-03 -0.13508E-03 1448 0.155E-02 0.836E-03
RMM: 25 -0.107524411975E+04 -0.12339E-03 -0.13163E-03 1396 0.151E-02 0.897E-03
RMM: 26 -0.107524424076E+04 -0.12101E-03 -0.12772E-03 1426 0.152E-02 0.951E-03
RMM: 27 -0.107524436068E+04 -0.11992E-03 -0.12700E-03 1430 0.157E-02 0.101E-02
RMM: 28 -0.107524447873E+04 -0.11805E-03 -0.12519E-03 1457 0.155E-02 0.106E-02
RMM: 29 -0.107524459345E+04 -0.11473E-03 -0.12110E-03 1371 0.148E-02 0.112E-02
RMM: 30 -0.107524470752E+04 -0.11407E-03 -0.12137E-03 1457 0.160E-02 0.117E-02
RMM: 31 -0.107524481931E+04 -0.11179E-03 -0.11908E-03 1435 0.156E-02 0.123E-02
RMM: 32 -0.107524492919E+04 -0.10988E-03 -0.11702E-03 1424 0.153E-02 0.128E-02
RMM: 33 -0.107524503674E+04 -0.10755E-03 -0.11408E-03 1401 0.150E-02 0.133E-02
RMM: 34 -0.107524514283E+04 -0.10609E-03 -0.11346E-03 1420 0.158E-02 0.138E-02
RMM: 35 -0.107524524680E+04 -0.10397E-03 -0.11100E-03 1387 0.151E-02 0.144E-02
RMM: 36 -0.107524534953E+04 -0.10273E-03 -0.10973E-03 1428 0.155E-02 0.149E-02
RMM: 37 -0.107524545049E+04 -0.10096E-03 -0.10806E-03 1414 0.154E-02 0.154E-02
RMM: 38 -0.107524554924E+04 -0.98748E-04 -0.10584E-03 1406 0.150E-02 0.159E-02
RMM: 39 -0.107524564540E+04 -0.96165E-04 -0.10303E-03 1360 0.151E-02 0.164E-02
RMM: 40 -0.107524574220E+04 -0.96795E-04 -0.10428E-03 1423 0.160E-02 0.169E-02
RMM: 41 -0.107524583544E+04 -0.93237E-04 -0.10019E-03 1376 0.149E-02 0.174E-02
RMM: 42 -0.107524592790E+04 -0.92464E-04 -0.99193E-04 1394 0.151E-02
574 T= 760. E= -.10764433E+04 F= -.10752459E+04 E0= -.10752083E+04 EK= 0.15233E+02 SP= -.16E+02 SK= 0.12E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107523295172E+04 0.12884E-01 -0.12538E+00 3358 0.116E+00 0.322E-01
RMM: 2 -0.107523877045E+04 -0.58187E-02 -0.83460E-02 4111 0.319E-01 0.244E-01
RMM: 3 -0.107523978368E+04 -0.10132E-02 -0.17638E-02 4077 0.114E-01 0.183E-01
RMM: 4 -0.107523996529E+04 -0.18161E-03 -0.60799E-03 3675 0.535E-02 0.982E-02
RMM: 5 -0.107524002881E+04 -0.63516E-04 -0.26423E-03 3030 0.273E-02 0.392E-02
RMM: 6 -0.107524019821E+04 -0.16941E-03 -0.19984E-03 2256 0.162E-02 0.225E-02
RMM: 7 -0.107524036075E+04 -0.16253E-03 -0.17570E-03 2068 0.128E-02 0.125E-02
RMM: 8 -0.107524052718E+04 -0.16643E-03 -0.17258E-03 1976 0.110E-02 0.528E-03
RMM: 9 -0.107524069038E+04 -0.16320E-03 -0.16697E-03 1911 0.120E-02 0.311E-03
RMM: 10 -0.107524085453E+04 -0.16415E-03 -0.16932E-03 1963 0.131E-02 0.153E-03
RMM: 11 -0.107524101028E+04 -0.15575E-03 -0.16027E-03 1950 0.123E-02 0.115E-03
RMM: 12 -0.107524116511E+04 -0.15483E-03 -0.16071E-03 1799 0.131E-02 0.130E-03
RMM: 13 -0.107524131263E+04 -0.14751E-03 -0.15435E-03 1484 0.133E-02 0.210E-03
RMM: 14 -0.107524146326E+04 -0.15064E-03 -0.15756E-03 1591 0.159E-02 0.261E-03
RMM: 15 -0.107524161043E+04 -0.14716E-03 -0.15365E-03 1465 0.144E-02 0.326E-03
RMM: 16 -0.107524175378E+04 -0.14335E-03 -0.14919E-03 1433 0.135E-02 0.402E-03
RMM: 17 -0.107524189492E+04 -0.14114E-03 -0.14746E-03 1456 0.147E-02 0.474E-03
RMM: 18 -0.107524203333E+04 -0.13841E-03 -0.14519E-03 1430 0.155E-02 0.546E-03
RMM: 19 -0.107524217210E+04 -0.13877E-03 -0.14711E-03 1573 0.171E-02 0.608E-03
RMM: 20 -0.107524230809E+04 -0.13600E-03 -0.14297E-03 1469 0.149E-02 0.682E-03
RMM: 21 -0.107524243969E+04 -0.13159E-03 -0.13858E-03 1442 0.149E-02 0.755E-03
RMM: 22 -0.107524257057E+04 -0.13088E-03 -0.13969E-03 1515 0.170E-02 0.826E-03
RMM: 23 -0.107524270022E+04 -0.12965E-03 -0.13788E-03 1526 0.167E-02 0.900E-03
RMM: 24 -0.107524282666E+04 -0.12644E-03 -0.13347E-03 1433 0.155E-02 0.966E-03
RMM: 25 -0.107524295221E+04 -0.12555E-03 -0.13339E-03 1486 0.167E-02 0.104E-02
RMM: 26 -0.107524307568E+04 -0.12347E-03 -0.13128E-03 1478 0.161E-02 0.111E-02
RMM: 27 -0.107524319691E+04 -0.12123E-03 -0.12862E-03 1461 0.156E-02 0.118E-02
RMM: 28 -0.107524331483E+04 -0.11791E-03 -0.12497E-03 1400 0.155E-02 0.125E-02
RMM: 29 -0.107524343362E+04 -0.11879E-03 -0.12708E-03 1506 0.174E-02 0.131E-02
RMM: 30 -0.107524355142E+04 -0.11780E-03 -0.12594E-03 1491 0.163E-02 0.137E-02
RMM: 31 -0.107524366597E+04 -0.11455E-03 -0.12238E-03 1446 0.152E-02 0.144E-02
RMM: 32 -0.107524377828E+04 -0.11231E-03 -0.12139E-03 1443 0.155E-02 0.150E-02
RMM: 33 -0.107524388935E+04 -0.11106E-03 -0.11804E-03 1402 0.149E-02 0.156E-02
RMM: 34 -0.107524399794E+04 -0.10859E-03 -0.11602E-03 1418 0.152E-02 0.163E-02
RMM: 35 -0.107524410476E+04 -0.10681E-03 -0.11392E-03 1408 0.152E-02 0.169E-02
RMM: 36 -0.107524421108E+04 -0.10632E-03 -0.11407E-03 1441 0.158E-02 0.175E-02
RMM: 37 -0.107524431539E+04 -0.10432E-03 -0.11128E-03 1390 0.151E-02 0.181E-02
RMM: 38 -0.107524441752E+04 -0.10212E-03 -0.10946E-03 1417 0.154E-02 0.187E-02
RMM: 39 -0.107524451949E+04 -0.10198E-03 -0.10913E-03 1436 0.153E-02 0.193E-02
RMM: 40 -0.107524461900E+04 -0.99510E-04 -0.10599E-03 1404 0.145E-02 0.199E-02
RMM: 41 -0.107524471584E+04 -0.96838E-04 -0.10310E-03 1365 0.143E-02 0.205E-02
RMM: 42 -0.107524481312E+04 -0.97283E-04 -0.10444E-03 1413 0.155E-02 0.211E-02
RMM: 43 -0.107524490768E+04 -0.94553E-04 -0.10123E-03 1350 0.149E-02 0.216E-02
RMM: 44 -0.107524500217E+04 -0.94490E-04 -0.10220E-03 1440 0.157E-02 0.222E-02
RMM: 45 -0.107524509379E+04 -0.91625E-04 -0.98731E-04 1368 0.146E-02
575 T= 762. E= -.10764329E+04 F= -.10752451E+04 E0= -.10752090E+04 EK= 0.15258E+02 SP= -.16E+02 SK= 0.10E-06
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107524390737E+04 0.10948E-02 -0.13106E+00 3357 0.119E+00 0.338E-01
RMM: 2 -0.107525015252E+04 -0.62451E-02 -0.88659E-02 4129 0.337E-01 0.251E-01
RMM: 3 -0.107525114275E+04 -0.99023E-03 -0.18459E-02 4120 0.121E-01 0.162E-01
RMM: 4 -0.107525156248E+04 -0.41973E-03 -0.68949E-03 3736 0.570E-02 0.930E-02
RMM: 5 -0.107525149622E+04 0.66267E-04 -0.26382E-03 3028 0.271E-02 0.465E-02
RMM: 6 -0.107525166878E+04 -0.17257E-03 -0.20965E-03 2539 0.180E-02 0.253E-02
RMM: 7 -0.107525181447E+04 -0.14568E-03 -0.17183E-03 2093 0.131E-02 0.111E-02
RMM: 8 -0.107525197669E+04 -0.16223E-03 -0.16792E-03 1996 0.106E-02 0.662E-03
RMM: 9 -0.107525213105E+04 -0.15436E-03 -0.15606E-03 1964 0.116E-02 0.398E-03
RMM: 10 -0.107525229065E+04 -0.15960E-03 -0.16572E-03 2128 0.150E-02 0.228E-03
RMM: 11 -0.107525243721E+04 -0.14656E-03 -0.15071E-03 1830 0.108E-02 0.168E-03
RMM: 12 -0.107525258287E+04 -0.14567E-03 -0.15101E-03 1867 0.130E-02 0.168E-03
RMM: 13 -0.107525272181E+04 -0.13893E-03 -0.14524E-03 1579 0.143E-02 0.191E-03
RMM: 14 -0.107525286543E+04 -0.14362E-03 -0.15234E-03 1710 0.176E-02 0.288E-03
RMM: 15 -0.107525300359E+04 -0.13816E-03 -0.14509E-03 1562 0.146E-02 0.309E-03
RMM: 16 -0.107525313809E+04 -0.13450E-03 -0.14050E-03 1523 0.144E-02 0.332E-03
RMM: 17 -0.107525327175E+04 -0.13366E-03 -0.14097E-03 1734 0.163E-02 0.280E-03
RMM: 18 -0.107525340442E+04 -0.13267E-03 -0.14035E-03 1696 0.159E-02 0.232E-03
RMM: 19 -0.107525353276E+04 -0.12834E-03 -0.13642E-03 1552 0.155E-02 0.244E-03
RMM: 20 -0.107525366093E+04 -0.12818E-03 -0.13581E-03 1551 0.153E-02 0.296E-03
RMM: 21 -0.107525378412E+04 -0.12318E-03 -0.12974E-03 1461 0.140E-02 0.345E-03
RMM: 22 -0.107525390631E+04 -0.12220E-03 -0.12932E-03 1483 0.152E-02 0.401E-03
RMM: 23 -0.107525402787E+04 -0.12156E-03 -0.12914E-03 1515 0.157E-02 0.465E-03
RMM: 24 -0.107525414702E+04 -0.11915E-03 -0.12666E-03 1486 0.148E-02 0.525E-03
RMM: 25 -0.107525426193E+04 -0.11491E-03 -0.12191E-03 1421 0.147E-02 0.591E-03
RMM: 26 -0.107525437809E+04 -0.11616E-03 -0.12456E-03 1524 0.167E-02 0.651E-03
RMM: 27 -0.107525449150E+04 -0.11341E-03 -0.12102E-03 1474 0.157E-02 0.718E-03
RMM: 28 -0.107525460232E+04 -0.11082E-03 -0.11871E-03 1450 0.159E-02 0.779E-03
RMM: 29 -0.107525471236E+04 -0.11004E-03 -0.11796E-03 1496 0.167E-02 0.840E-03
RMM: 30 -0.107525482199E+04 -0.10962E-03 -0.11790E-03 1509 0.166E-02 0.902E-03
RMM: 31 -0.107525492827E+04 -0.10629E-03 -0.11390E-03 1447 0.157E-02 0.965E-03
RMM: 32 -0.107525503345E+04 -0.10518E-03 -0.11295E-03 1485 0.164E-02 0.103E-02
RMM: 33 -0.107525513757E+04 -0.10412E-03 -0.11215E-03 1499 0.167E-02 0.109E-02
RMM: 34 -0.107525524002E+04 -0.10245E-03 -0.11011E-03 1475 0.159E-02 0.115E-02
RMM: 35 -0.107525533990E+04 -0.99876E-04 -0.10731E-03 1455 0.157E-02 0.121E-02
RMM: 36 -0.107525544040E+04 -0.10051E-03 -0.10855E-03 1525 0.166E-02 0.127E-02
RMM: 37 -0.107525553821E+04 -0.97811E-04 -0.10506E-03 1447 0.153E-02 0.133E-02
RMM: 38 -0.107525563407E+04 -0.95856E-04 -0.10306E-03 1402 0.154E-02 0.138E-02
RMM: 39 -0.107525572969E+04 -0.95620E-04 -0.10366E-03 1500 0.165E-02 0.144E-02
RMM: 40 -0.107525582330E+04 -0.93610E-04 -0.10092E-03 1458 0.156E-02 0.150E-02
RMM: 41 -0.107525591581E+04 -0.92513E-04 -0.99875E-04 1443 0.154E-02
576 T= 762. E= -.10764231E+04 F= -.10752559E+04 E0= -.10752201E+04 EK= 0.15264E+02 SP= -.16E+02 SK= 0.12E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107545855324E+04 -0.20273E+00 -0.14742E+00 3346 0.125E+00 0.380E-01
RMM: 2 -0.107546532497E+04 -0.67717E-02 -0.99650E-02 4132 0.350E-01 0.283E-01
RMM: 3 -0.107546651557E+04 -0.11906E-02 -0.22423E-02 4156 0.128E-01 0.178E-01
RMM: 4 -0.107546694364E+04 -0.42807E-03 -0.70917E-03 3772 0.608E-02 0.956E-02
RMM: 5 -0.107546684769E+04 0.95951E-04 -0.26844E-03 3144 0.287E-02 0.468E-02
RMM: 6 -0.107546699399E+04 -0.14630E-03 -0.19085E-03 2575 0.180E-02 0.190E-02
RMM: 7 -0.107546714988E+04 -0.15589E-03 -0.16698E-03 2003 0.122E-02 0.122E-02
RMM: 8 -0.107546729143E+04 -0.14156E-03 -0.14907E-03 1894 0.109E-02 0.701E-03
RMM: 9 -0.107546743847E+04 -0.14704E-03 -0.15209E-03 1973 0.132E-02 0.354E-03
RMM: 10 -0.107546758417E+04 -0.14570E-03 -0.15306E-03 2127 0.151E-02 0.213E-03
RMM: 11 -0.107546772136E+04 -0.13719E-03 -0.14099E-03 1767 0.100E-02 0.175E-03
RMM: 12 -0.107546785394E+04 -0.13258E-03 -0.13781E-03 1838 0.126E-02 0.172E-03
RMM: 13 -0.107546798230E+04 -0.12836E-03 -0.13525E-03 1581 0.142E-02 0.196E-03
RMM: 14 -0.107546811495E+04 -0.13266E-03 -0.14204E-03 1729 0.176E-02 0.289E-03
RMM: 15 -0.107546824199E+04 -0.12703E-03 -0.13345E-03 1481 0.137E-02 0.309E-03
RMM: 16 -0.107546836571E+04 -0.12373E-03 -0.13078E-03 1586 0.148E-02 0.286E-03
RMM: 17 -0.107546848814E+04 -0.12243E-03 -0.12971E-03 1746 0.155E-02 0.223E-03
RMM: 18 -0.107546860760E+04 -0.11945E-03 -0.12714E-03 1570 0.153E-02 0.203E-03
RMM: 19 -0.107546872516E+04 -0.11757E-03 -0.12580E-03 1579 0.158E-02 0.234E-03
RMM: 20 -0.107546884033E+04 -0.11517E-03 -0.12227E-03 1489 0.148E-02 0.271E-03
RMM: 21 -0.107546895319E+04 -0.11285E-03 -0.12023E-03 1512 0.152E-02 0.320E-03
RMM: 22 -0.107546906368E+04 -0.11050E-03 -0.11784E-03 1489 0.154E-02 0.376E-03
RMM: 23 -0.107546917380E+04 -0.11012E-03 -0.11875E-03 1559 0.162E-02 0.434E-03
RMM: 24 -0.107546928130E+04 -0.10750E-03 -0.11459E-03 1492 0.149E-02 0.487E-03
RMM: 25 -0.107546938580E+04 -0.10450E-03 -0.11211E-03 1498 0.156E-02 0.542E-03
RMM: 26 -0.107546948980E+04 -0.10400E-03 -0.11189E-03 1492 0.164E-02 0.598E-03
RMM: 27 -0.107546959260E+04 -0.10280E-03 -0.11099E-03 1536 0.164E-02 0.652E-03
RMM: 28 -0.107546969377E+04 -0.10117E-03 -0.10855E-03 1506 0.157E-02 0.704E-03
RMM: 29 -0.107546979203E+04 -0.98263E-04 -0.10498E-03 1440 0.152E-02 0.761E-03
RMM: 30 -0.107546988951E+04 -0.97479E-04 -0.10515E-03 1512 0.161E-02 0.818E-03
RMM: 31 -0.107546998427E+04 -0.94757E-04 -0.10180E-03 1437 0.153E-02 0.870E-03
RMM: 32 -0.107547007964E+04 -0.95366E-04 -0.10288E-03 1503 0.166E-02 0.924E-03
RMM: 33 -0.107547017269E+04 -0.93059E-04 -0.10083E-03 1482 0.159E-02 0.977E-03
RMM: 34 -0.107547026413E+04 -0.91433E-04 -0.98844E-04 1464 0.155E-02
577 T= 770. E= -.10764225E+04 F= -.10754703E+04 E0= -.10754350E+04 EK= 0.15431E+02 SP= -.16E+02 SK= 0.52E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107587578911E+04 -0.40562E+00 -0.14467E+00 3325 0.123E+00 0.389E-01
RMM: 2 -0.107588230195E+04 -0.65128E-02 -0.98060E-02 4111 0.341E-01 0.290E-01
RMM: 3 -0.107588337369E+04 -0.10717E-02 -0.22124E-02 4145 0.126E-01 0.183E-01
RMM: 4 -0.107588388009E+04 -0.50640E-03 -0.77365E-03 3701 0.596E-02 0.923E-02
RMM: 5 -0.107588384952E+04 0.30576E-04 -0.33654E-03 3111 0.289E-02 0.498E-02
RMM: 6 -0.107588403928E+04 -0.18976E-03 -0.24981E-03 2573 0.178E-02 0.219E-02
RMM: 7 -0.107588425600E+04 -0.21672E-03 -0.22392E-03 2093 0.131E-02 0.112E-02
RMM: 8 -0.107588445624E+04 -0.20024E-03 -0.20777E-03 1920 0.102E-02 0.713E-03
RMM: 9 -0.107588465580E+04 -0.19956E-03 -0.20225E-03 1867 0.114E-02 0.367E-03
RMM: 10 -0.107588485641E+04 -0.20061E-03 -0.20770E-03 2152 0.155E-02 0.183E-03
RMM: 11 -0.107588504774E+04 -0.19133E-03 -0.19544E-03 1817 0.111E-02 0.179E-03
RMM: 12 -0.107588523434E+04 -0.18660E-03 -0.19205E-03 1811 0.125E-02 0.237E-03
RMM: 13 -0.107588541475E+04 -0.18040E-03 -0.18670E-03 1530 0.142E-02 0.330E-03
RMM: 14 -0.107588560080E+04 -0.18606E-03 -0.19512E-03 1752 0.183E-02 0.392E-03
RMM: 15 -0.107588578131E+04 -0.18051E-03 -0.18587E-03 1477 0.132E-02 0.482E-03
RMM: 16 -0.107588595749E+04 -0.17618E-03 -0.18214E-03 1453 0.134E-02 0.555E-03
RMM: 17 -0.107588612982E+04 -0.17233E-03 -0.17866E-03 1480 0.147E-02 0.634E-03
RMM: 18 -0.107588630296E+04 -0.17313E-03 -0.18110E-03 1535 0.161E-02 0.710E-03
RMM: 19 -0.107588647082E+04 -0.16786E-03 -0.17491E-03 1464 0.149E-02 0.786E-03
RMM: 20 -0.107588663762E+04 -0.16680E-03 -0.17397E-03 1467 0.158E-02 0.858E-03
RMM: 21 -0.107588680191E+04 -0.16429E-03 -0.17161E-03 1517 0.162E-02 0.932E-03
RMM: 22 -0.107588696385E+04 -0.16194E-03 -0.16899E-03 1467 0.159E-02 0.101E-02
RMM: 23 -0.107588712484E+04 -0.16099E-03 -0.16830E-03 1511 0.165E-02 0.107E-02
RMM: 24 -0.107588728350E+04 -0.15866E-03 -0.16610E-03 1474 0.160E-02 0.114E-02
RMM: 25 -0.107588744012E+04 -0.15661E-03 -0.16385E-03 1484 0.159E-02 0.121E-02
RMM: 26 -0.107588759480E+04 -0.15469E-03 -0.16191E-03 1466 0.157E-02 0.128E-02
RMM: 27 -0.107588774698E+04 -0.15218E-03 -0.15928E-03 1462 0.155E-02 0.134E-02
RMM: 28 -0.107588789719E+04 -0.15021E-03 -0.15723E-03 1457 0.156E-02 0.141E-02
RMM: 29 -0.107588804550E+04 -0.14831E-03 -0.15589E-03 1467 0.162E-02 0.148E-02
RMM: 30 -0.107588819282E+04 -0.14731E-03 -0.15508E-03 1490 0.166E-02 0.154E-02
RMM: 31 -0.107588833884E+04 -0.14602E-03 -0.15366E-03 1490 0.162E-02 0.160E-02
RMM: 32 -0.107588848247E+04 -0.14363E-03 -0.15068E-03 1450 0.155E-02 0.167E-02
RMM: 33 -0.107588862345E+04 -0.14098E-03 -0.14807E-03 1428 0.155E-02 0.173E-02
RMM: 34 -0.107588876350E+04 -0.14005E-03 -0.14755E-03 1441 0.162E-02 0.179E-02
RMM: 35 -0.107588890301E+04 -0.13951E-03 -0.14720E-03 1471 0.164E-02 0.185E-02
RMM: 36 -0.107588904063E+04 -0.13762E-03 -0.14531E-03 1449 0.156E-02 0.190E-02
RMM: 37 -0.107588917594E+04 -0.13530E-03 -0.14312E-03 1405 0.155E-02 0.196E-02
RMM: 38 -0.107588931238E+04 -0.13644E-03 -0.14654E-03 1478 0.168E-02 0.202E-02
RMM: 39 -0.107588944857E+04 -0.13619E-03 -0.14839E-03 1400 0.157E-02 0.208E-02
RMM: 40 -0.107588958711E+04 -0.13854E-03 -0.15646E-03 1410 0.159E-02 0.213E-02
RMM: 41 -0.107588970218E+04 -0.11507E-03 -0.14588E-03 1454 0.165E-02 0.219E-02
RMM: 42 -0.107588983089E+04 -0.12872E-03 -0.13585E-03 1416 0.155E-02 0.225E-02
RMM: 43 -0.107588995685E+04 -0.12596E-03 -0.13383E-03 1431 0.156E-02 0.230E-02
RMM: 44 -0.107589008202E+04 -0.12516E-03 -0.13222E-03 1410 0.158E-02 0.236E-02
RMM: 45 -0.107589020726E+04 -0.12524E-03 -0.13294E-03 1475 0.164E-02 0.241E-02
RMM: 46 -0.107589033026E+04 -0.12301E-03 -0.12984E-03 1421 0.151E-02 0.247E-02
RMM: 47 -0.107589045207E+04 -0.12181E-03 -0.12848E-03 1410 0.152E-02 0.253E-02
RMM: 48 -0.107589057275E+04 -0.12068E-03 -0.12753E-03 1428 0.152E-02 0.258E-02
RMM: 49 -0.107589069221E+04 -0.11946E-03 -0.12637E-03 1406 0.151E-02 0.264E-02
RMM: 50 -0.107589081075E+04 -0.11854E-03 -0.12534E-03 1413 0.151E-02 0.269E-02
RMM: 51 -0.107589092677E+04 -0.11602E-03 -0.12230E-03 1367 0.146E-02 0.274E-02
RMM: 52 -0.107589104354E+04 -0.11677E-03 -0.12401E-03 1423 0.157E-02 0.280E-02
RMM: 53 -0.107589115793E+04 -0.11440E-03 -0.12166E-03 1401 0.150E-02 0.285E-02
RMM: 54 -0.107589127205E+04 -0.11411E-03 -0.12095E-03 1400 0.150E-02 0.290E-02
RMM: 55 -0.107589138360E+04 -0.11155E-03 -0.11841E-03 1388 0.150E-02 0.295E-02
RMM: 56 -0.107589149668E+04 -0.11308E-03 -0.12044E-03 1440 0.157E-02 0.300E-02
RMM: 57 -0.107589160520E+04 -0.10852E-03 -0.11624E-03 1383 0.143E-02 0.302E-02
RMM: 58 -0.107589171189E+04 -0.10669E-03 -0.11556E-03 1438 0.150E-02 0.302E-02
RMM: 59 -0.107589182008E+04 -0.10819E-03 -0.11674E-03 1453 0.156E-02 0.304E-02
RMM: 60 -0.107589192593E+04 -0.10585E-03 -0.11332E-03 1388 0.146E-02 0.307E-02
RMM: 61 -0.107589203111E+04 -0.10518E-03 -0.11299E-03 1429 0.150E-02 0.309E-02
RMM: 62 -0.107589213894E+04 -0.10784E-03 -0.11304E-03 1432 0.153E-02 0.316E-02
RMM: 63 -0.107589224490E+04 -0.10595E-03 -0.11123E-03 1388 0.144E-02 0.322E-02
RMM: 64 -0.107589234915E+04 -0.10425E-03 -0.11042E-03 1433 0.148E-02 0.327E-02
RMM: 65 -0.107589245279E+04 -0.10364E-03 -0.10957E-03 1425 0.151E-02 0.333E-02
RMM: 66 -0.107589255614E+04 -0.10335E-03 -0.10980E-03 1437 0.150E-02 0.338E-02
RMM: 67 -0.107589265774E+04 -0.10160E-03 -0.10651E-03 1363 0.143E-02 0.344E-02
RMM: 68 -0.107589275875E+04 -0.10101E-03 -0.10752E-03 1460 0.156E-02 0.350E-02
RMM: 69 -0.107589285905E+04 -0.10030E-03 -0.10799E-03 1426 0.157E-02 0.354E-02
RMM: 70 -0.107589295713E+04 -0.98080E-04 -0.10555E-03 1417 0.150E-02 0.358E-02
RMM: 71 -0.107589305465E+04 -0.97516E-04 -0.10470E-03 1430 0.153E-02 0.362E-02
RMM: 72 -0.107589315171E+04 -0.97066E-04 -0.10418E-03 1436 0.154E-02 0.367E-02
RMM: 73 -0.107589324535E+04 -0.93633E-04 -0.10087E-03 1351 0.148E-02 0.370E-02
RMM: 74 -0.107589333942E+04 -0.94076E-04 -0.10176E-03 1442 0.160E-02 0.374E-02
RMM: 75 -0.107589343329E+04 -0.93867E-04 -0.10150E-03 1460 0.161E-02 0.379E-02
RMM: 76 -0.107589352350E+04 -0.90213E-04 -0.97203E-04 1388 0.148E-02
578 T= 785. E= -.10764552E+04 F= -.10758935E+04 E0= -.10758575E+04 EK= 0.15737E+02 SP= -.16E+02 SK= 0.14E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107610817553E+04 -0.21474E+00 -0.11580E+00 3316 0.112E+00 0.306E-01
RMM: 2 -0.107611373947E+04 -0.55639E-02 -0.80540E-02 4141 0.316E-01 0.230E-01
RMM: 3 -0.107611461915E+04 -0.87968E-03 -0.16407E-02 4154 0.112E-01 0.181E-01
RMM: 4 -0.107611465173E+04 -0.32580E-04 -0.53311E-03 3605 0.508E-02 0.102E-01
RMM: 5 -0.107611469724E+04 -0.45511E-04 -0.27789E-03 3138 0.310E-02 0.443E-02
RMM: 6 -0.107611475477E+04 -0.57531E-04 -0.12983E-03 2295 0.165E-02 0.293E-02
RMM: 7 -0.107611486690E+04 -0.11213E-03 -0.13286E-03 2329 0.140E-02 0.128E-02
RMM: 8 -0.107611495837E+04 -0.91468E-04 -0.10126E-03 1960 0.989E-03 0.837E-03
RMM: 9 -0.107611505154E+04 -0.93166E-04 -0.99442E-04 1838 0.101E-02
579 T= 789. E= -.10764745E+04 F= -.10761151E+04 E0= -.10760789E+04 EK= 0.15808E+02 SP= -.16E+02 SK= 0.28E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107587812668E+04 0.23683E+00 -0.14452E+00 3292 0.126E+00 0.349E-01
RMM: 2 -0.107588397060E+04 -0.58439E-02 -0.92312E-02 4155 0.352E-01 0.249E-01
RMM: 3 -0.107588498002E+04 -0.10094E-02 -0.19762E-02 4253 0.125E-01 0.159E-01
RMM: 4 -0.107588533677E+04 -0.35676E-03 -0.68349E-03 3703 0.579E-02 0.746E-02
RMM: 5 -0.107588543712E+04 -0.10035E-03 -0.33187E-03 3217 0.286E-02 0.431E-02
RMM: 6 -0.107588560867E+04 -0.17154E-03 -0.22959E-03 2357 0.171E-02 0.235E-02
RMM: 7 -0.107588582730E+04 -0.21863E-03 -0.22681E-03 2197 0.141E-02 0.101E-02
RMM: 8 -0.107588601895E+04 -0.19165E-03 -0.19798E-03 1970 0.103E-02 0.597E-03
RMM: 9 -0.107588621272E+04 -0.19377E-03 -0.19581E-03 1840 0.119E-02 0.398E-03
RMM: 10 -0.107588640832E+04 -0.19560E-03 -0.20364E-03 2392 0.192E-02 0.223E-03
RMM: 11 -0.107588659706E+04 -0.18874E-03 -0.19225E-03 1789 0.108E-02 0.206E-03
RMM: 12 -0.107588677776E+04 -0.18070E-03 -0.18603E-03 1860 0.134E-02 0.282E-03
RMM: 13 -0.107588695931E+04 -0.18155E-03 -0.18804E-03 1599 0.149E-02 0.383E-03
RMM: 14 -0.107588714075E+04 -0.18144E-03 -0.18979E-03 1704 0.174E-02 0.471E-03
RMM: 15 -0.107588732102E+04 -0.18026E-03 -0.18695E-03 1525 0.145E-02 0.561E-03
RMM: 16 -0.107588749567E+04 -0.17465E-03 -0.18162E-03 1507 0.145E-02 0.655E-03
RMM: 17 -0.107588766966E+04 -0.17399E-03 -0.18074E-03 1527 0.148E-02 0.743E-03
RMM: 18 -0.107588784025E+04 -0.17059E-03 -0.17759E-03 1488 0.153E-02 0.835E-03
RMM: 19 -0.107588800975E+04 -0.16950E-03 -0.17754E-03 1568 0.162E-02 0.923E-03
RMM: 20 -0.107588817627E+04 -0.16652E-03 -0.17405E-03 1519 0.161E-02 0.101E-02
RMM: 21 -0.107588834153E+04 -0.16526E-03 -0.17229E-03 1523 0.161E-02 0.111E-02
RMM: 22 -0.107588850501E+04 -0.16347E-03 -0.17067E-03 1520 0.164E-02 0.119E-02
RMM: 23 -0.107588866564E+04 -0.16064E-03 -0.16741E-03 1476 0.158E-02 0.128E-02
RMM: 24 -0.107588882607E+04 -0.16043E-03 -0.16829E-03 1550 0.171E-02 0.137E-02
RMM: 25 -0.107588898346E+04 -0.15739E-03 -0.16457E-03 1487 0.159E-02 0.146E-02
RMM: 26 -0.107588913869E+04 -0.15524E-03 -0.16255E-03 1501 0.165E-02 0.154E-02
RMM: 27 -0.107588929418E+04 -0.15549E-03 -0.16303E-03 1535 0.169E-02 0.163E-02
RMM: 28 -0.107588944782E+04 -0.15364E-03 -0.16111E-03 1520 0.160E-02 0.171E-02
RMM: 29 -0.107588959763E+04 -0.14981E-03 -0.15595E-03 1403 0.145E-02 0.179E-02
RMM: 30 -0.107588974673E+04 -0.14910E-03 -0.15631E-03 1490 0.162E-02 0.188E-02
RMM: 31 -0.107588989580E+04 -0.14907E-03 -0.15657E-03 1499 0.163E-02 0.196E-02
RMM: 32 -0.107589004085E+04 -0.14505E-03 -0.15185E-03 1423 0.153E-02 0.205E-02
RMM: 33 -0.107589018608E+04 -0.14523E-03 -0.15308E-03 1501 0.166E-02 0.213E-02
RMM: 34 -0.107589032910E+04 -0.14302E-03 -0.14989E-03 1461 0.156E-02 0.221E-02
RMM: 35 -0.107589047222E+04 -0.14312E-03 -0.15061E-03 1499 0.160E-02 0.229E-02
RMM: 36 -0.107589061186E+04 -0.13964E-03 -0.14649E-03 1427 0.150E-02 0.237E-02
RMM: 37 -0.107589075026E+04 -0.13840E-03 -0.14550E-03 1438 0.156E-02 0.245E-02
RMM: 38 -0.107589088850E+04 -0.13824E-03 -0.14620E-03 1489 0.164E-02 0.253E-02
RMM: 39 -0.107589102425E+04 -0.13575E-03 -0.14275E-03 1427 0.153E-02 0.260E-02
RMM: 40 -0.107589115879E+04 -0.13455E-03 -0.14155E-03 1420 0.154E-02 0.268E-02
RMM: 41 -0.107589129263E+04 -0.13384E-03 -0.14093E-03 1440 0.156E-02 0.276E-02
RMM: 42 -0.107589142400E+04 -0.13137E-03 -0.13844E-03 1417 0.152E-02 0.283E-02
RMM: 43 -0.107589155420E+04 -0.13021E-03 -0.13727E-03 1430 0.156E-02 0.290E-02
RMM: 44 -0.107589168476E+04 -0.13055E-03 -0.13789E-03 1457 0.159E-02 0.298E-02
RMM: 45 -0.107589181336E+04 -0.12860E-03 -0.13546E-03 1439 0.150E-02 0.305E-02
RMM: 46 -0.107589193902E+04 -0.12566E-03 -0.13200E-03 1357 0.146E-02 0.313E-02
RMM: 47 -0.107589206579E+04 -0.12677E-03 -0.13357E-03 1453 0.157E-02 0.320E-02
RMM: 48 -0.107589219027E+04 -0.12448E-03 -0.13069E-03 1405 0.150E-02 0.328E-02
RMM: 49 -0.107589231422E+04 -0.12395E-03 -0.12979E-03 1424 0.153E-02 0.336E-02
RMM: 50 -0.107589243910E+04 -0.12488E-03 -0.12900E-03 1461 0.155E-02 0.347E-02
RMM: 51 -0.107589256542E+04 -0.12633E-03 -0.12903E-03 1553 0.159E-02 0.360E-02
RMM: 52 -0.107589268617E+04 -0.12075E-03 -0.12800E-03 1472 0.159E-02 0.368E-02
RMM: 53 -0.107589280409E+04 -0.11792E-03 -0.12644E-03 1477 0.155E-02 0.373E-02
RMM: 54 -0.107589292150E+04 -0.11742E-03 -0.12428E-03 1418 0.149E-02 0.380E-02
RMM: 55 -0.107589303792E+04 -0.11641E-03 -0.12292E-03 1440 0.151E-02 0.388E-02
RMM: 56 -0.107589315329E+04 -0.11537E-03 -0.12195E-03 1415 0.151E-02 0.395E-02
RMM: 57 -0.107589325577E+04 -0.10248E-03 -0.12180E-03 1495 0.155E-02 0.388E-02
RMM: 58 -0.107589336443E+04 -0.10866E-03 -0.11837E-03 1453 0.148E-02 0.391E-02
RMM: 59 -0.107589347597E+04 -0.11154E-03 -0.12024E-03 1488 0.159E-02 0.396E-02
RMM: 60 -0.107589358650E+04 -0.11052E-03 -0.11797E-03 1474 0.153E-02 0.402E-02
RMM: 61 -0.107589369573E+04 -0.10924E-03 -0.11638E-03 1451 0.151E-02 0.409E-02
RMM: 62 -0.107589380511E+04 -0.10937E-03 -0.11462E-03 1445 0.151E-02 0.417E-02
RMM: 63 -0.107589391187E+04 -0.10677E-03 -0.11485E-03 1489 0.156E-02 0.423E-02
RMM: 64 -0.107589401698E+04 -0.10511E-03 -0.11351E-03 1494 0.156E-02 0.428E-02
RMM: 65 -0.107589412123E+04 -0.10425E-03 -0.11234E-03 1488 0.159E-02 0.434E-02
RMM: 66 -0.107589422592E+04 -0.10469E-03 -0.11226E-03 1493 0.162E-02 0.440E-02
RMM: 67 -0.107589433165E+04 -0.10573E-03 -0.11134E-03 1471 0.158E-02 0.449E-02
RMM: 68 -0.107589443420E+04 -0.10255E-03 -0.10928E-03 1472 0.157E-02 0.457E-02
RMM: 69 -0.107589453687E+04 -0.10267E-03 -0.10991E-03 1503 0.166E-02 0.464E-02
RMM: 70 -0.107589463813E+04 -0.10126E-03 -0.10831E-03 1493 0.159E-02 0.471E-02
RMM: 71 -0.107589473792E+04 -0.99785E-04 -0.10654E-03 1462 0.155E-02 0.478E-02
RMM: 72 -0.107589483877E+04 -0.10086E-03 -0.10624E-03 1478 0.161E-02 0.486E-02
RMM: 73 -0.107589493872E+04 -0.99953E-04 -0.10620E-03 1581 0.162E-02 0.494E-02
RMM: 74 -0.107589503636E+04 -0.97635E-04 -0.10418E-03 1496 0.159E-02 0.501E-02
RMM: 75 -0.107589513244E+04 -0.96077E-04 -0.10334E-03 1485 0.161E-02 0.508E-02
RMM: 76 -0.107589522798E+04 -0.95542E-04 -0.10410E-03 1505 0.167E-02 0.514E-02
RMM: 77 -0.107589532276E+04 -0.94783E-04 -0.10109E-03 1478 0.159E-02 0.522E-02
RMM: 78 -0.107589541668E+04 -0.93915E-04 -0.10193E-03 1527 0.165E-02 0.528E-02
RMM: 79 -0.107589550702E+04 -0.90345E-04 -0.98558E-04 1432 0.157E-02
580 T= 771. E= -.10764447E+04 F= -.10758955E+04 E0= -.10758589E+04 EK= 0.15441E+02 SP= -.16E+02 SK= 0.45E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107561616105E+04 0.27926E+00 -0.15625E+00 3321 0.132E+00 0.392E-01
RMM: 2 -0.107562223537E+04 -0.60743E-02 -0.10493E-01 4172 0.372E-01 0.285E-01
RMM: 3 -0.107562310892E+04 -0.87356E-03 -0.21853E-02 4307 0.136E-01 0.235E-01
RMM: 4 -0.107562280285E+04 0.30608E-03 -0.69301E-03 3809 0.617E-02 0.117E-01
RMM: 5 -0.107562300308E+04 -0.20024E-03 -0.32250E-03 3177 0.321E-02 0.469E-02
RMM: 6 -0.107562315825E+04 -0.15517E-03 -0.19863E-03 2557 0.185E-02 0.336E-02
RMM: 7 -0.107562328312E+04 -0.12487E-03 -0.17237E-03 2269 0.139E-02 0.133E-02
RMM: 8 -0.107562343091E+04 -0.14779E-03 -0.15247E-03 2061 0.115E-02 0.649E-03
RMM: 9 -0.107562357419E+04 -0.14327E-03 -0.14514E-03 1845 0.973E-03 0.400E-03
RMM: 10 -0.107562371318E+04 -0.13899E-03 -0.14200E-03 1951 0.125E-02 0.187E-03
RMM: 11 -0.107562384758E+04 -0.13440E-03 -0.13997E-03 1955 0.125E-02 0.177E-03
RMM: 12 -0.107562397178E+04 -0.12420E-03 -0.12958E-03 1684 0.117E-02 0.180E-03
RMM: 13 -0.107562409501E+04 -0.12323E-03 -0.13031E-03 1602 0.145E-02 0.230E-03
RMM: 14 -0.107562421618E+04 -0.12117E-03 -0.12873E-03 1523 0.156E-02 0.312E-03
RMM: 15 -0.107562433455E+04 -0.11837E-03 -0.12556E-03 1474 0.147E-02 0.366E-03
RMM: 16 -0.107562444879E+04 -0.11424E-03 -0.12133E-03 1505 0.148E-02 0.436E-03
RMM: 17 -0.107562456001E+04 -0.11122E-03 -0.11746E-03 1415 0.144E-02 0.499E-03
RMM: 18 -0.107562467009E+04 -0.11008E-03 -0.11799E-03 1585 0.166E-02 0.563E-03
RMM: 19 -0.107562477856E+04 -0.10847E-03 -0.11529E-03 1477 0.145E-02 0.624E-03
RMM: 20 -0.107562488155E+04 -0.10299E-03 -0.10903E-03 1399 0.139E-02 0.687E-03
RMM: 21 -0.107562498471E+04 -0.10316E-03 -0.11078E-03 1514 0.162E-02 0.751E-03
RMM: 22 -0.107562508591E+04 -0.10120E-03 -0.10828E-03 1477 0.151E-02 0.814E-03
RMM: 23 -0.107562518412E+04 -0.98208E-04 -0.10481E-03 1421 0.144E-02 0.877E-03
RMM: 24 -0.107562528010E+04 -0.95987E-04 -0.10286E-03 1459 0.149E-02 0.936E-03
RMM: 25 -0.107562537440E+04 -0.94295E-04 -0.10135E-03 1425 0.155E-02 0.100E-02
RMM: 26 -0.107562546778E+04 -0.93380E-04 -0.10093E-03 1461 0.162E-02 0.106E-02
RMM: 27 -0.107562555987E+04 -0.92088E-04 -0.99792E-04 1466 0.157E-02
581 T= 748. E= -.10764286E+04 F= -.10756256E+04 E0= -.10755880E+04 EK= 0.14979E+02 SP= -.16E+02 SK= 0.60E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107555552425E+04 0.69944E-01 -0.98763E-01 3347 0.106E+00 0.321E-01
RMM: 2 -0.107555982569E+04 -0.43014E-02 -0.85238E-02 4245 0.314E-01 0.227E-01
RMM: 3 -0.107555992720E+04 -0.10151E-03 -0.17742E-02 4292 0.114E-01 0.183E-01
RMM: 4 -0.107556003199E+04 -0.10479E-03 -0.58750E-03 3738 0.493E-02 0.114E-01
RMM: 5 -0.107556032538E+04 -0.29339E-03 -0.40521E-03 3187 0.322E-02 0.389E-02
RMM: 6 -0.107556055194E+04 -0.22656E-03 -0.29251E-03 2675 0.189E-02 0.262E-02
RMM: 7 -0.107556077173E+04 -0.21979E-03 -0.24796E-03 2051 0.124E-02 0.139E-02
RMM: 8 -0.107556101632E+04 -0.24459E-03 -0.24787E-03 2167 0.126E-02 0.629E-03
RMM: 9 -0.107556124030E+04 -0.22398E-03 -0.22593E-03 1857 0.905E-03 0.417E-03
RMM: 10 -0.107556146225E+04 -0.22196E-03 -0.22295E-03 1926 0.116E-02 0.274E-03
RMM: 11 -0.107556167877E+04 -0.21651E-03 -0.22162E-03 2174 0.149E-02 0.176E-03
RMM: 12 -0.107556188850E+04 -0.20974E-03 -0.21485E-03 1802 0.126E-02 0.180E-03
RMM: 13 -0.107556209110E+04 -0.20260E-03 -0.20946E-03 1582 0.141E-02 0.254E-03
RMM: 14 -0.107556229359E+04 -0.20249E-03 -0.21135E-03 1610 0.169E-02 0.373E-03
RMM: 15 -0.107556249169E+04 -0.19810E-03 -0.20588E-03 1587 0.164E-02 0.463E-03
RMM: 16 -0.107556268705E+04 -0.19536E-03 -0.20307E-03 1548 0.161E-02 0.558E-03
RMM: 17 -0.107556287726E+04 -0.19021E-03 -0.19810E-03 1557 0.170E-02 0.658E-03
RMM: 18 -0.107556306774E+04 -0.19048E-03 -0.19880E-03 1645 0.180E-02 0.735E-03
RMM: 19 -0.107556325352E+04 -0.18578E-03 -0.19374E-03 1567 0.160E-02 0.816E-03
RMM: 20 -0.107556343415E+04 -0.18063E-03 -0.18718E-03 1467 0.148E-02 0.911E-03
RMM: 21 -0.107556361267E+04 -0.17852E-03 -0.18741E-03 1591 0.172E-02 0.999E-03
RMM: 22 -0.107556378856E+04 -0.17589E-03 -0.18421E-03 1517 0.160E-02 0.109E-02
RMM: 23 -0.107556396162E+04 -0.17306E-03 -0.18248E-03 1526 0.167E-02 0.117E-02
RMM: 24 -0.107556413238E+04 -0.17076E-03 -0.18245E-03 1580 0.171E-02 0.126E-02
RMM: 25 -0.107556429461E+04 -0.16223E-03 -0.17487E-03 1527 0.166E-02 0.134E-02
RMM: 26 -0.107556445759E+04 -0.16298E-03 -0.17054E-03 1493 0.164E-02 0.142E-02
RMM: 27 -0.107556461907E+04 -0.16148E-03 -0.16959E-03 1580 0.175E-02 0.150E-02
RMM: 28 -0.107556477727E+04 -0.15819E-03 -0.16616E-03 1519 0.165E-02 0.158E-02
RMM: 29 -0.107556493271E+04 -0.15544E-03 -0.16295E-03 1518 0.162E-02 0.166E-02
RMM: 30 -0.107556508532E+04 -0.15261E-03 -0.16028E-03 1504 0.163E-02 0.174E-02
RMM: 31 -0.107556523715E+04 -0.15183E-03 -0.15998E-03 1562 0.167E-02 0.182E-02
RMM: 32 -0.107556538403E+04 -0.14688E-03 -0.15376E-03 1429 0.151E-02 0.190E-02
RMM: 33 -0.107556552922E+04 -0.14519E-03 -0.15281E-03 1484 0.161E-02 0.197E-02
RMM: 34 -0.107556567170E+04 -0.14248E-03 -0.14993E-03 1440 0.162E-02 0.205E-02
RMM: 35 -0.107556581237E+04 -0.14066E-03 -0.14879E-03 1503 0.167E-02 0.212E-02
RMM: 36 -0.107556595142E+04 -0.13905E-03 -0.14626E-03 1477 0.161E-02 0.220E-02
RMM: 37 -0.107556608744E+04 -0.13602E-03 -0.14366E-03 1465 0.158E-02 0.227E-02
RMM: 38 -0.107556622051E+04 -0.13308E-03 -0.13972E-03 1406 0.152E-02 0.235E-02
RMM: 39 -0.107556635259E+04 -0.13207E-03 -0.13971E-03 1465 0.162E-02 0.242E-02
RMM: 40 -0.107556648119E+04 -0.12861E-03 -0.13575E-03 1423 0.156E-02 0.249E-02
RMM: 41 -0.107556661017E+04 -0.12898E-03 -0.13722E-03 1512 0.166E-02 0.256E-02
RMM: 42 -0.107556673404E+04 -0.12387E-03 -0.13043E-03 1406 0.149E-02 0.263E-02
RMM: 43 -0.107556685717E+04 -0.12313E-03 -0.13100E-03 1461 0.164E-02 0.269E-02
RMM: 44 -0.107556697846E+04 -0.12129E-03 -0.12914E-03 1464 0.163E-02 0.277E-02
RMM: 45 -0.107556709784E+04 -0.11938E-03 -0.12731E-03 1458 0.163E-02 0.283E-02
RMM: 46 -0.107556721486E+04 -0.11702E-03 -0.12422E-03 1431 0.157E-02 0.290E-02
RMM: 47 -0.107556733081E+04 -0.11595E-03 -0.12340E-03 1450 0.159E-02 0.297E-02
RMM: 48 -0.107556744372E+04 -0.11291E-03 -0.12000E-03 1402 0.156E-02 0.304E-02
RMM: 49 -0.107556755674E+04 -0.11302E-03 -0.12092E-03 1486 0.165E-02 0.310E-02
RMM: 50 -0.107556766644E+04 -0.10970E-03 -0.11659E-03 1381 0.149E-02 0.317E-02
RMM: 51 -0.107556777485E+04 -0.10841E-03 -0.11547E-03 1422 0.153E-02 0.323E-02
RMM: 52 -0.107556788091E+04 -0.10606E-03 -0.11253E-03 1404 0.153E-02 0.329E-02
RMM: 53 -0.107556798692E+04 -0.10602E-03 -0.11323E-03 1435 0.160E-02 0.336E-02
RMM: 54 -0.107556809163E+04 -0.10471E-03 -0.11091E-03 1422 0.151E-02 0.343E-02
RMM: 55 -0.107556819348E+04 -0.10184E-03 -0.10705E-03 1408 0.146E-02 0.350E-02
RMM: 56 -0.107556829383E+04 -0.10035E-03 -0.10758E-03 1466 0.154E-02 0.355E-02
RMM: 57 -0.107556839639E+04 -0.10257E-03 -0.10680E-03 1452 0.151E-02 0.366E-02
RMM: 58 -0.107556849243E+04 -0.96035E-04 -0.10108E-03 1339 0.138E-02 0.374E-02
RMM: 59 -0.107556858842E+04 -0.95989E-04 -0.10430E-03 1459 0.163E-02 0.379E-02
RMM: 60 -0.107556868195E+04 -0.93535E-04 -0.10128E-03 1398 0.149E-02 0.385E-02
RMM: 61 -0.107556877402E+04 -0.92067E-04 -0.98542E-04 1389 0.143E-02
582 T= 733. E= -.10764346E+04 F= -.10755688E+04 E0= -.10755304E+04 EK= 0.14690E+02 SP= -.16E+02 SK= 0.71E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107565067895E+04 -0.81997E-01 -0.10860E+00 3308 0.106E+00 0.351E-01
RMM: 2 -0.107565527693E+04 -0.45980E-02 -0.76114E-02 4129 0.295E-01 0.262E-01
RMM: 3 -0.107565615582E+04 -0.87890E-03 -0.16272E-02 4118 0.106E-01 0.203E-01
RMM: 4 -0.107565606120E+04 0.94622E-04 -0.53831E-03 3539 0.512E-02 0.972E-02
RMM: 5 -0.107565616792E+04 -0.10671E-03 -0.23931E-03 3142 0.271E-02 0.376E-02
RMM: 6 -0.107565628710E+04 -0.11918E-03 -0.15511E-03 2251 0.157E-02 0.248E-02
RMM: 7 -0.107565639569E+04 -0.10860E-03 -0.13595E-03 2074 0.124E-02 0.101E-02
RMM: 8 -0.107565651808E+04 -0.12238E-03 -0.12605E-03 2002 0.116E-02 0.472E-03
RMM: 9 -0.107565663572E+04 -0.11764E-03 -0.12083E-03 1869 0.118E-02 0.275E-03
RMM: 10 -0.107565675547E+04 -0.11976E-03 -0.12510E-03 2042 0.140E-02 0.163E-03
RMM: 11 -0.107565686477E+04 -0.10930E-03 -0.11237E-03 1751 0.986E-03 0.129E-03
RMM: 12 -0.107565697146E+04 -0.10669E-03 -0.11149E-03 1724 0.122E-02 0.119E-03
RMM: 13 -0.107565707495E+04 -0.10348E-03 -0.11053E-03 1557 0.148E-02 0.123E-03
RMM: 14 -0.107565718158E+04 -0.10663E-03 -0.11511E-03 1641 0.165E-02 0.137E-03
RMM: 15 -0.107565728104E+04 -0.99463E-04 -0.10637E-03 1437 0.135E-02 0.180E-03
RMM: 16 -0.107565737985E+04 -0.98803E-04 -0.10508E-03 1463 0.143E-02 0.242E-03
RMM: 17 -0.107565747528E+04 -0.95434E-04 -0.10235E-03 1483 0.151E-02 0.280E-03
RMM: 18 -0.107565757008E+04 -0.94799E-04 -0.10208E-03 1492 0.158E-02 0.340E-03
RMM: 19 -0.107565766281E+04 -0.92729E-04 -0.99775E-04 1505 0.151E-02
583 T= 726. E= -.10764291E+04 F= -.10756577E+04 E0= -.10756208E+04 EK= 0.14545E+02 SP= -.15E+02 SK= 0.80E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107586704454E+04 -0.20947E+00 -0.10461E+00 3337 0.102E+00 0.338E-01
RMM: 2 -0.107587138714E+04 -0.43426E-02 -0.71843E-02 4102 0.281E-01 0.253E-01
RMM: 3 -0.107587232681E+04 -0.93966E-03 -0.17328E-02 4119 0.103E-01 0.205E-01
RMM: 4 -0.107587221286E+04 0.11395E-03 -0.54358E-03 3524 0.481E-02 0.975E-02
RMM: 5 -0.107587237260E+04 -0.15974E-03 -0.26763E-03 3011 0.263E-02 0.343E-02
RMM: 6 -0.107587253919E+04 -0.16658E-03 -0.19676E-03 2256 0.155E-02 0.195E-02
RMM: 7 -0.107587269788E+04 -0.15869E-03 -0.17236E-03 2040 0.120E-02 0.949E-03
RMM: 8 -0.107587285942E+04 -0.16154E-03 -0.16592E-03 1921 0.108E-02 0.472E-03
RMM: 9 -0.107587301379E+04 -0.15437E-03 -0.15796E-03 1905 0.120E-02 0.279E-03
RMM: 10 -0.107587317010E+04 -0.15631E-03 -0.16182E-03 2006 0.137E-02 0.163E-03
RMM: 11 -0.107587331418E+04 -0.14408E-03 -0.14791E-03 1790 0.111E-02 0.146E-03
RMM: 12 -0.107587345630E+04 -0.14213E-03 -0.14729E-03 1770 0.129E-02 0.155E-03
RMM: 13 -0.107587359298E+04 -0.13668E-03 -0.14365E-03 1631 0.144E-02 0.210E-03
RMM: 14 -0.107587372978E+04 -0.13680E-03 -0.14324E-03 1538 0.150E-02 0.326E-03
RMM: 15 -0.107587386167E+04 -0.13189E-03 -0.13902E-03 1538 0.150E-02 0.317E-03
RMM: 16 -0.107587399300E+04 -0.13133E-03 -0.13895E-03 1511 0.150E-02 0.338E-03
RMM: 17 -0.107587411909E+04 -0.12610E-03 -0.13365E-03 1466 0.147E-02 0.358E-03
RMM: 18 -0.107587424453E+04 -0.12543E-03 -0.13434E-03 1511 0.161E-02 0.427E-03
RMM: 19 -0.107587436692E+04 -0.12239E-03 -0.12929E-03 1493 0.151E-02 0.493E-03
RMM: 20 -0.107587448775E+04 -0.12083E-03 -0.12761E-03 1458 0.150E-02 0.551E-03
RMM: 21 -0.107587460490E+04 -0.11716E-03 -0.12465E-03 1528 0.156E-02 0.611E-03
RMM: 22 -0.107587472103E+04 -0.11613E-03 -0.12366E-03 1468 0.155E-02 0.673E-03
RMM: 23 -0.107587483452E+04 -0.11350E-03 -0.12086E-03 1490 0.157E-02 0.738E-03
RMM: 24 -0.107587494655E+04 -0.11202E-03 -0.11968E-03 1513 0.160E-02 0.803E-03
RMM: 25 -0.107587505557E+04 -0.10902E-03 -0.11653E-03 1465 0.159E-02 0.868E-03
RMM: 26 -0.107587516410E+04 -0.10853E-03 -0.11629E-03 1510 0.164E-02 0.933E-03
RMM: 27 -0.107587526979E+04 -0.10569E-03 -0.11314E-03 1480 0.159E-02 0.997E-03
RMM: 28 -0.107587537340E+04 -0.10362E-03 -0.11120E-03 1451 0.163E-02 0.106E-02
RMM: 29 -0.107587547707E+04 -0.10367E-03 -0.11178E-03 1526 0.170E-02 0.112E-02
RMM: 30 -0.107587557885E+04 -0.10178E-03 -0.10907E-03 1482 0.158E-02 0.118E-02
RMM: 31 -0.107587567807E+04 -0.99221E-04 -0.10630E-03 1457 0.151E-02 0.125E-02
RMM: 32 -0.107587577593E+04 -0.97855E-04 -0.10523E-03 1485 0.155E-02 0.131E-02
RMM: 33 -0.107587587208E+04 -0.96148E-04 -0.10370E-03 1458 0.156E-02 0.137E-02
RMM: 34 -0.107587596668E+04 -0.94603E-04 -0.10255E-03 1457 0.158E-02 0.143E-02
RMM: 35 -0.107587605923E+04 -0.92551E-04 -0.99992E-04 1436 0.154E-02
584 T= 724. E= -.10764334E+04 F= -.10758761E+04 E0= -.10758426E+04 EK= 0.14510E+02 SP= -.15E+02 SK= 0.88E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107608192264E+04 -0.20596E+00 -0.88634E-01 3339 0.972E-01 0.271E-01
RMM: 2 -0.107608617435E+04 -0.42517E-02 -0.63790E-02 4155 0.272E-01 0.207E-01
RMM: 3 -0.107608667927E+04 -0.50493E-03 -0.13622E-02 4042 0.990E-02 0.179E-01
RMM: 4 -0.107608662380E+04 0.55477E-04 -0.38137E-03 3556 0.434E-02 0.106E-01
RMM: 5 -0.107608677061E+04 -0.14682E-03 -0.23484E-03 3045 0.280E-02 0.291E-02
RMM: 6 -0.107608688000E+04 -0.10939E-03 -0.13607E-03 2345 0.163E-02 0.214E-02
RMM: 7 -0.107608697278E+04 -0.92780E-04 -0.11548E-03 2010 0.112E-02 0.115E-02
RMM: 8 -0.107608707853E+04 -0.10575E-03 -0.11210E-03 2089 0.121E-02 0.508E-03
RMM: 9 -0.107608717961E+04 -0.10108E-03 -0.10483E-03 1843 0.996E-03 0.350E-03
RMM: 10 -0.107608727608E+04 -0.96471E-04 -0.99695E-04 1869 0.110E-02
585 T= 721. E= -.10764517E+04 F= -.10760873E+04 E0= -.10760543E+04 EK= 0.14444E+02 SP= -.15E+02 SK= 0.95E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107605674757E+04 0.30432E-01 -0.11213E+00 3312 0.109E+00 0.320E-01
RMM: 2 -0.107606190285E+04 -0.51553E-02 -0.75813E-02 4113 0.302E-01 0.237E-01
RMM: 3 -0.107606298605E+04 -0.10832E-02 -0.17319E-02 4066 0.113E-01 0.185E-01
RMM: 4 -0.107606294853E+04 0.37517E-04 -0.52041E-03 3552 0.512E-02 0.104E-01
RMM: 5 -0.107606300932E+04 -0.60789E-04 -0.23798E-03 3084 0.282E-02 0.379E-02
RMM: 6 -0.107606313681E+04 -0.12748E-03 -0.15336E-03 2301 0.164E-02 0.217E-02
RMM: 7 -0.107606325500E+04 -0.11819E-03 -0.13073E-03 1963 0.119E-02 0.125E-02
RMM: 8 -0.107606337118E+04 -0.11618E-03 -0.12267E-03 1990 0.113E-02 0.451E-03
RMM: 9 -0.107606348709E+04 -0.11591E-03 -0.11915E-03 1855 0.112E-02 0.313E-03
RMM: 10 -0.107606359863E+04 -0.11154E-03 -0.11572E-03 1922 0.121E-02 0.155E-03
RMM: 11 -0.107606370319E+04 -0.10455E-03 -0.10831E-03 1826 0.111E-02 0.116E-03
RMM: 12 -0.107606380390E+04 -0.10072E-03 -0.10601E-03 1833 0.129E-02 0.129E-03
RMM: 13 -0.107606390100E+04 -0.97098E-04 -0.10374E-03 1572 0.136E-02 0.198E-03
RMM: 14 -0.107606399401E+04 -0.93007E-04 -0.99077E-04 1472 0.142E-02
586 T= 707. E= -.10764469E+04 F= -.10760640E+04 E0= -.10760317E+04 EK= 0.14161E+02 SP= -.15E+02 SK= 0.99E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107586879452E+04 0.19511E+00 -0.12447E+00 3304 0.114E+00 0.328E-01
RMM: 2 -0.107587475900E+04 -0.59645E-02 -0.85816E-02 4104 0.325E-01 0.244E-01
RMM: 3 -0.107587572358E+04 -0.96458E-03 -0.18691E-02 4039 0.119E-01 0.162E-01
RMM: 4 -0.107587619236E+04 -0.46878E-03 -0.76149E-03 3714 0.559E-02 0.929E-02
RMM: 5 -0.107587623162E+04 -0.39264E-04 -0.34224E-03 3045 0.272E-02 0.468E-02
RMM: 6 -0.107587647913E+04 -0.24750E-03 -0.28089E-03 2474 0.176E-02 0.203E-02
RMM: 7 -0.107587672106E+04 -0.24193E-03 -0.24494E-03 2079 0.136E-02 0.110E-02
RMM: 8 -0.107587695518E+04 -0.23413E-03 -0.24041E-03 2019 0.114E-02 0.697E-03
RMM: 9 -0.107587717749E+04 -0.22230E-03 -0.22398E-03 1900 0.120E-02 0.392E-03
RMM: 10 -0.107587740516E+04 -0.22767E-03 -0.23143E-03 2153 0.151E-02 0.189E-03
RMM: 11 -0.107587761386E+04 -0.20870E-03 -0.21249E-03 1815 0.119E-02 0.178E-03
RMM: 12 -0.107587782346E+04 -0.20960E-03 -0.21656E-03 2044 0.147E-02 0.217E-03
RMM: 13 -0.107587801983E+04 -0.19637E-03 -0.20206E-03 1568 0.125E-02 0.324E-03
RMM: 14 -0.107587821735E+04 -0.19752E-03 -0.20375E-03 1677 0.159E-02 0.327E-03
RMM: 15 -0.107587840786E+04 -0.19051E-03 -0.19767E-03 1636 0.163E-02 0.344E-03
RMM: 16 -0.107587859674E+04 -0.18889E-03 -0.19582E-03 1676 0.160E-02 0.336E-03
RMM: 17 -0.107587877671E+04 -0.17996E-03 -0.18683E-03 1543 0.150E-02 0.367E-03
RMM: 18 -0.107587895567E+04 -0.17897E-03 -0.18686E-03 1575 0.162E-02 0.407E-03
RMM: 19 -0.107587912727E+04 -0.17160E-03 -0.17920E-03 1524 0.153E-02 0.484E-03
RMM: 20 -0.107587929655E+04 -0.16928E-03 -0.17685E-03 1534 0.157E-02 0.538E-03
RMM: 21 -0.107587945938E+04 -0.16283E-03 -0.17054E-03 1521 0.155E-02 0.610E-03
RMM: 22 -0.107587961984E+04 -0.16046E-03 -0.16838E-03 1528 0.162E-02 0.672E-03
RMM: 23 -0.107587977651E+04 -0.15667E-03 -0.16572E-03 1535 0.168E-02 0.742E-03
RMM: 24 -0.107587992877E+04 -0.15226E-03 -0.16201E-03 1565 0.165E-02 0.808E-03
RMM: 25 -0.107588007560E+04 -0.14682E-03 -0.15659E-03 1521 0.166E-02 0.872E-03
RMM: 26 -0.107588022104E+04 -0.14544E-03 -0.15340E-03 1547 0.168E-02 0.933E-03
RMM: 27 -0.107588036220E+04 -0.14116E-03 -0.14931E-03 1529 0.161E-02 0.999E-03
RMM: 28 -0.107588049929E+04 -0.13709E-03 -0.14468E-03 1486 0.161E-02 0.106E-02
RMM: 29 -0.107588063308E+04 -0.13380E-03 -0.14238E-03 1533 0.169E-02 0.112E-02
RMM: 30 -0.107588076463E+04 -0.13155E-03 -0.13980E-03 1521 0.164E-02 0.118E-02
RMM: 31 -0.107588089093E+04 -0.12630E-03 -0.13447E-03 1477 0.163E-02 0.124E-02
RMM: 32 -0.107588101598E+04 -0.12505E-03 -0.13321E-03 1545 0.170E-02 0.129E-02
RMM: 33 -0.107588113732E+04 -0.12134E-03 -0.12943E-03 1519 0.165E-02 0.135E-02
RMM: 34 -0.107588125485E+04 -0.11753E-03 -0.12533E-03 1479 0.160E-02 0.141E-02
RMM: 35 -0.107588137039E+04 -0.11554E-03 -0.12340E-03 1501 0.168E-02 0.146E-02
RMM: 36 -0.107588148327E+04 -0.11287E-03 -0.12068E-03 1490 0.163E-02 0.151E-02
RMM: 37 -0.107588159238E+04 -0.10912E-03 -0.11681E-03 1468 0.159E-02 0.157E-02
RMM: 38 -0.107588169978E+04 -0.10740E-03 -0.11561E-03 1492 0.164E-02 0.162E-02
RMM: 39 -0.107588180420E+04 -0.10442E-03 -0.11244E-03 1456 0.159E-02 0.167E-02
RMM: 40 -0.107588190457E+04 -0.10037E-03 -0.10918E-03 1471 0.163E-02 0.172E-02
RMM: 41 -0.107588200418E+04 -0.99613E-04 -0.10709E-03 1490 0.164E-02 0.176E-02
RMM: 42 -0.107588210056E+04 -0.96370E-04 -0.10423E-03 1467 0.159E-02 0.181E-02
RMM: 43 -0.107588219558E+04 -0.95020E-04 -0.10236E-03 1463 0.158E-02 0.186E-02
RMM: 44 -0.107588228792E+04 -0.92345E-04 -0.99509E-04 1457 0.155E-02
587 T= 685. E= -.10764322E+04 F= -.10758823E+04 E0= -.10758506E+04 EK= 0.13734E+02 SP= -.14E+02 SK= 0.96E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107580127402E+04 0.80922E-01 -0.12572E+00 3320 0.114E+00 0.330E-01
RMM: 2 -0.107580731517E+04 -0.60411E-02 -0.86235E-02 4095 0.327E-01 0.249E-01
RMM: 3 -0.107580826375E+04 -0.94859E-03 -0.17435E-02 4086 0.118E-01 0.169E-01
RMM: 4 -0.107580857874E+04 -0.31498E-03 -0.63492E-03 3753 0.570E-02 0.921E-02
RMM: 5 -0.107580847960E+04 0.99140E-04 -0.20809E-03 3102 0.272E-02 0.409E-02
RMM: 6 -0.107580859620E+04 -0.11661E-03 -0.14239E-03 2478 0.167E-02 0.190E-02
RMM: 7 -0.107580870306E+04 -0.10686E-03 -0.11804E-03 2032 0.120E-02 0.109E-02
RMM: 8 -0.107580880034E+04 -0.97278E-04 -0.10364E-03 1951 0.109E-02 0.594E-03
RMM: 9 -0.107580889788E+04 -0.97540E-04 -0.10109E-03 1940 0.118E-02 0.224E-03
RMM: 10 -0.107580899415E+04 -0.96269E-04 -0.10249E-03 2097 0.143E-02 0.174E-03
RMM: 11 -0.107580908161E+04 -0.87462E-04 -0.90860E-04 1775 0.106E-02
588 T= 670. E= -.10764182E+04 F= -.10758091E+04 E0= -.10757776E+04 EK= 0.13429E+02 SP= -.14E+02 SK= 0.87E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107606456021E+04 -0.25557E+00 -0.14186E+00 3292 0.120E+00 0.403E-01
RMM: 2 -0.107607047955E+04 -0.59193E-02 -0.93893E-02 4114 0.329E-01 0.300E-01
RMM: 3 -0.107607166964E+04 -0.11901E-02 -0.22532E-02 4178 0.125E-01 0.184E-01
RMM: 4 -0.107607215139E+04 -0.48175E-03 -0.82805E-03 3728 0.594E-02 0.105E-01
RMM: 5 -0.107607204753E+04 0.10386E-03 -0.33303E-03 3085 0.291E-02 0.500E-02
RMM: 6 -0.107607227274E+04 -0.22520E-03 -0.26691E-03 2719 0.186E-02 0.192E-02
RMM: 7 -0.107607248224E+04 -0.20951E-03 -0.22271E-03 2095 0.127E-02 0.108E-02
RMM: 8 -0.107607268335E+04 -0.20110E-03 -0.20726E-03 2043 0.117E-02 0.733E-03
RMM: 9 -0.107607287880E+04 -0.19545E-03 -0.19895E-03 1989 0.116E-02 0.399E-03
RMM: 10 -0.107607306576E+04 -0.18696E-03 -0.19021E-03 1955 0.118E-02 0.188E-03
RMM: 11 -0.107607324327E+04 -0.17751E-03 -0.18129E-03 1853 0.110E-02 0.192E-03
RMM: 12 -0.107607341165E+04 -0.16838E-03 -0.17281E-03 1771 0.111E-02 0.240E-03
RMM: 13 -0.107607357338E+04 -0.16174E-03 -0.16700E-03 1564 0.121E-02 0.401E-03
RMM: 14 -0.107607372716E+04 -0.15377E-03 -0.16052E-03 1567 0.140E-02 0.391E-03
RMM: 15 -0.107607387534E+04 -0.14818E-03 -0.15662E-03 1694 0.155E-02 0.352E-03
RMM: 16 -0.107607401601E+04 -0.14068E-03 -0.14949E-03 1659 0.157E-02 0.353E-03
RMM: 17 -0.107607415339E+04 -0.13737E-03 -0.14511E-03 1636 0.160E-02 0.368E-03
RMM: 18 -0.107607428446E+04 -0.13107E-03 -0.13897E-03 1556 0.160E-02 0.438E-03
RMM: 19 -0.107607441074E+04 -0.12628E-03 -0.13334E-03 1521 0.152E-02 0.530E-03
RMM: 20 -0.107607453167E+04 -0.12093E-03 -0.12818E-03 1510 0.152E-02 0.611E-03
RMM: 21 -0.107607464647E+04 -0.11480E-03 -0.12204E-03 1478 0.151E-02 0.709E-03
RMM: 22 -0.107607475687E+04 -0.11040E-03 -0.11879E-03 1543 0.162E-02 0.791E-03
RMM: 23 -0.107607486294E+04 -0.10607E-03 -0.11342E-03 1483 0.155E-02 0.876E-03
RMM: 24 -0.107607496366E+04 -0.10072E-03 -0.10847E-03 1498 0.157E-02 0.959E-03
RMM: 25 -0.107607505855E+04 -0.94888E-04 -0.10243E-03 1484 0.159E-02 0.105E-02
RMM: 26 -0.107607515182E+04 -0.93267E-04 -0.10159E-03 1587 0.169E-02 0.114E-02
RMM: 27 -0.107607523818E+04 -0.86360E-04 -0.92986E-04 1455 0.149E-02
589 T= 672. E= -.10764324E+04 F= -.10760752E+04 E0= -.10760427E+04 EK= 0.13454E+02 SP= -.14E+02 SK= 0.76E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107647304602E+04 -0.39789E+00 -0.10761E+00 3317 0.106E+00 0.316E-01
RMM: 2 -0.107647836739E+04 -0.53214E-02 -0.74063E-02 4100 0.292E-01 0.244E-01
RMM: 3 -0.107647932570E+04 -0.95831E-03 -0.16809E-02 4109 0.108E-01 0.188E-01
RMM: 4 -0.107647941093E+04 -0.85233E-04 -0.61933E-03 3521 0.495E-02 0.100E-01
RMM: 5 -0.107647952609E+04 -0.11516E-03 -0.30853E-03 3135 0.279E-02 0.412E-02
RMM: 6 -0.107647971893E+04 -0.19284E-03 -0.22338E-03 2257 0.157E-02 0.254E-02
RMM: 7 -0.107647989682E+04 -0.17789E-03 -0.19815E-03 2070 0.124E-02 0.112E-02
RMM: 8 -0.107648008564E+04 -0.18882E-03 -0.19302E-03 2017 0.114E-02 0.537E-03
RMM: 9 -0.107648026562E+04 -0.17998E-03 -0.18284E-03 1845 0.109E-02 0.322E-03
RMM: 10 -0.107648044661E+04 -0.18099E-03 -0.18432E-03 1931 0.121E-02 0.148E-03
RMM: 11 -0.107648061667E+04 -0.17006E-03 -0.17406E-03 1811 0.113E-02 0.143E-03
RMM: 12 -0.107648078593E+04 -0.16927E-03 -0.17524E-03 1800 0.129E-02 0.200E-03
RMM: 13 -0.107648094977E+04 -0.16384E-03 -0.16966E-03 1598 0.140E-02 0.322E-03
RMM: 14 -0.107648111312E+04 -0.16335E-03 -0.16994E-03 1525 0.152E-02 0.372E-03
RMM: 15 -0.107648127343E+04 -0.16031E-03 -0.16757E-03 1560 0.160E-02 0.472E-03
RMM: 16 -0.107648143239E+04 -0.15895E-03 -0.16516E-03 1488 0.152E-02 0.548E-03
RMM: 17 -0.107648158625E+04 -0.15386E-03 -0.15957E-03 1459 0.155E-02 0.634E-03
RMM: 18 -0.107648174252E+04 -0.15626E-03 -0.16350E-03 1586 0.175E-02 0.717E-03
RMM: 19 -0.107648189424E+04 -0.15172E-03 -0.15808E-03 1474 0.157E-02 0.790E-03
RMM: 20 -0.107648204536E+04 -0.15112E-03 -0.15739E-03 1488 0.157E-02 0.867E-03
RMM: 21 -0.107648219452E+04 -0.14916E-03 -0.15575E-03 1480 0.159E-02 0.940E-03
RMM: 22 -0.107648234237E+04 -0.14786E-03 -0.15491E-03 1497 0.160E-02 0.101E-02
RMM: 23 -0.107648248855E+04 -0.14617E-03 -0.15336E-03 1522 0.161E-02 0.109E-02
RMM: 24 -0.107648263336E+04 -0.14482E-03 -0.15147E-03 1490 0.159E-02 0.117E-02
RMM: 25 -0.107648277727E+04 -0.14391E-03 -0.15101E-03 1510 0.162E-02 0.125E-02
RMM: 26 -0.107648291944E+04 -0.14217E-03 -0.14882E-03 1478 0.157E-02 0.133E-02
RMM: 27 -0.107648306048E+04 -0.14103E-03 -0.14800E-03 1490 0.163E-02 0.141E-02
RMM: 28 -0.107648320088E+04 -0.14041E-03 -0.14716E-03 1516 0.162E-02 0.149E-02
RMM: 29 -0.107648333957E+04 -0.13868E-03 -0.14553E-03 1484 0.161E-02 0.157E-02
RMM: 30 -0.107648347799E+04 -0.13842E-03 -0.14486E-03 1473 0.158E-02 0.165E-02
RMM: 31 -0.107648361523E+04 -0.13724E-03 -0.14424E-03 1511 0.162E-02 0.173E-02
RMM: 32 -0.107648375159E+04 -0.13637E-03 -0.14295E-03 1456 0.153E-02 0.180E-02
RMM: 33 -0.107648388588E+04 -0.13429E-03 -0.14051E-03 1440 0.151E-02 0.188E-02
RMM: 34 -0.107648402007E+04 -0.13419E-03 -0.14118E-03 1496 0.160E-02 0.196E-02
RMM: 35 -0.107648415346E+04 -0.13339E-03 -0.14029E-03 1487 0.157E-02 0.203E-02
RMM: 36 -0.107648428572E+04 -0.13225E-03 -0.13903E-03 1476 0.156E-02 0.211E-02
RMM: 37 -0.107648441641E+04 -0.13069E-03 -0.13696E-03 1428 0.154E-02 0.219E-02
RMM: 38 -0.107648454630E+04 -0.12989E-03 -0.13671E-03 1449 0.164E-02 0.227E-02
RMM: 39 -0.107648467698E+04 -0.13068E-03 -0.13824E-03 1508 0.166E-02 0.235E-02
RMM: 40 -0.107648480587E+04 -0.12889E-03 -0.13515E-03 1422 0.152E-02 0.243E-02
RMM: 41 -0.107648493301E+04 -0.12714E-03 -0.13379E-03 1423 0.154E-02 0.250E-02
RMM: 42 -0.107648506107E+04 -0.12806E-03 -0.13514E-03 1476 0.160E-02 0.258E-02
RMM: 43 -0.107648518624E+04 -0.12516E-03 -0.13157E-03 1381 0.150E-02 0.265E-02
RMM: 44 -0.107648531225E+04 -0.12601E-03 -0.13345E-03 1485 0.163E-02 0.273E-02
RMM: 45 -0.107648543672E+04 -0.12447E-03 -0.13107E-03 1440 0.152E-02 0.280E-02
RMM: 46 -0.107648556028E+04 -0.12357E-03 -0.13025E-03 1432 0.157E-02 0.287E-02
RMM: 47 -0.107648568325E+04 -0.12297E-03 -0.13002E-03 1443 0.159E-02 0.294E-02
RMM: 48 -0.107648580613E+04 -0.12288E-03 -0.12942E-03 1448 0.154E-02 0.302E-02
RMM: 49 -0.107648592743E+04 -0.12131E-03 -0.12762E-03 1423 0.149E-02 0.309E-02
RMM: 50 -0.107648604848E+04 -0.12105E-03 -0.12735E-03 1437 0.149E-02 0.316E-02
RMM: 51 -0.107648616827E+04 -0.11979E-03 -0.12655E-03 1437 0.151E-02 0.323E-02
RMM: 52 -0.107648628679E+04 -0.11852E-03 -0.12455E-03 1376 0.149E-02 0.332E-02
RMM: 53 -0.107648640477E+04 -0.11798E-03 -0.12602E-03 1434 0.160E-02 0.338E-02
RMM: 54 -0.107648652103E+04 -0.11626E-03 -0.12401E-03 1426 0.159E-02 0.345E-02
RMM: 55 -0.107648663827E+04 -0.11723E-03 -0.12443E-03 1461 0.160E-02 0.353E-02
RMM: 56 -0.107648675329E+04 -0.11502E-03 -0.12157E-03 1415 0.148E-02 0.360E-02
RMM: 57 -0.107648687144E+04 -0.11815E-03 -0.12160E-03 1435 0.154E-02 0.371E-02
RMM: 58 -0.107648698900E+04 -0.11756E-03 -0.12026E-03 1410 0.151E-02 0.383E-02
RMM: 59 -0.107648710477E+04 -0.11577E-03 -0.12043E-03 1446 0.153E-02 0.394E-02
RMM: 60 -0.107648721643E+04 -0.11166E-03 -0.11865E-03 1404 0.148E-02 0.400E-02
RMM: 61 -0.107648732683E+04 -0.11040E-03 -0.11669E-03 1400 0.149E-02 0.408E-02
RMM: 62 -0.107648743870E+04 -0.11187E-03 -0.11781E-03 1421 0.158E-02 0.416E-02
RMM: 63 -0.107648754966E+04 -0.11096E-03 -0.11775E-03 1482 0.158E-02 0.423E-02
RMM: 64 -0.107648766005E+04 -0.11039E-03 -0.11575E-03 1433 0.152E-02 0.432E-02
RMM: 65 -0.107648776995E+04 -0.10990E-03 -0.11545E-03 1432 0.154E-02 0.440E-02
RMM: 66 -0.107648787902E+04 -0.10908E-03 -0.11464E-03 1449 0.155E-02 0.449E-02
RMM: 67 -0.107648798786E+04 -0.10883E-03 -0.11545E-03 1522 0.157E-02 0.455E-02
RMM: 68 -0.107648809697E+04 -0.10911E-03 -0.11548E-03 1498 0.155E-02 0.462E-02
RMM: 69 -0.107648820709E+04 -0.11011E-03 -0.11567E-03 1519 0.154E-02 0.470E-02
RMM: 70 -0.107648831507E+04 -0.10798E-03 -0.11404E-03 1466 0.148E-02 0.478E-02
RMM: 71 -0.107648842239E+04 -0.10732E-03 -0.11444E-03 1459 0.153E-02 0.485E-02
RMM: 72 -0.107648852681E+04 -0.10442E-03 -0.11181E-03 1438 0.151E-02 0.491E-02
RMM: 73 -0.107648863187E+04 -0.10506E-03 -0.11290E-03 1457 0.159E-02 0.497E-02
RMM: 74 -0.107648873768E+04 -0.10581E-03 -0.11312E-03 1471 0.160E-02 0.504E-02
RMM: 75 -0.107648884017E+04 -0.10249E-03 -0.10906E-03 1404 0.151E-02 0.511E-02
RMM: 76 -0.107648894395E+04 -0.10379E-03 -0.11167E-03 1504 0.166E-02 0.518E-02
RMM: 77 -0.107648904418E+04 -0.10023E-03 -0.10893E-03 1429 0.155E-02 0.523E-02
RMM: 78 -0.107648914433E+04 -0.10016E-03 -0.10767E-03 1470 0.160E-02 0.529E-02
RMM: 79 -0.107648924555E+04 -0.10122E-03 -0.10950E-03 1510 0.167E-02 0.535E-02
RMM: 80 -0.107648934424E+04 -0.98686E-04 -0.10637E-03 1443 0.152E-02 0.541E-02
RMM: 81 -0.107648944319E+04 -0.98958E-04 -0.10595E-03 1436 0.152E-02 0.548E-02
RMM: 82 -0.107648955053E+04 -0.10733E-03 -0.10509E-03 1504 0.155E-02 0.564E-02
RMM: 83 -0.107648964683E+04 -0.96305E-04 -0.10484E-03 1518 0.156E-02 0.570E-02
RMM: 84 -0.107648973919E+04 -0.92357E-04 -0.10438E-03 1521 0.160E-02 0.573E-02
RMM: 85 -0.107648982954E+04 -0.90353E-04 -0.10163E-03 1476 0.159E-02 0.576E-02
RMM: 86 -0.107648992160E+04 -0.92055E-04 -0.10312E-03 1536 0.166E-02 0.580E-02
RMM: 87 -0.107648999880E+04 -0.77201E-04 -0.10107E-03 1568 0.160E-02 0.570E-02
RMM: 88 -0.107649006413E+04 -0.65328E-04 -0.99919E-04 1717 0.161E-02
590 T= 679. E= -.10764774E+04 F= -.10764901E+04 E0= -.10764530E+04 EK= 0.13611E+02 SP= -.14E+02 SK= 0.67E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107654528593E+04 -0.55287E-01 -0.11414E+00 3363 0.110E+00 0.318E-01
RMM: 2 -0.107655128710E+04 -0.60012E-02 -0.84029E-02 4158 0.310E-01 0.252E-01
RMM: 3 -0.107655183620E+04 -0.54910E-03 -0.19013E-02 4193 0.113E-01 0.227E-01
RMM: 4 -0.107655165634E+04 0.17986E-03 -0.67486E-03 3587 0.489E-02 0.135E-01
RMM: 5 -0.107655198392E+04 -0.32758E-03 -0.52980E-03 3103 0.344E-02 0.427E-02
RMM: 6 -0.107655227121E+04 -0.28729E-03 -0.32607E-03 2644 0.189E-02 0.311E-02
RMM: 7 -0.107655252553E+04 -0.25432E-03 -0.28971E-03 2162 0.132E-02 0.150E-02
RMM: 8 -0.107655278955E+04 -0.26402E-03 -0.27199E-03 2132 0.124E-02 0.721E-03
RMM: 9 -0.107655303938E+04 -0.24983E-03 -0.25444E-03 1850 0.967E-03 0.480E-03
RMM: 10 -0.107655327595E+04 -0.23657E-03 -0.24024E-03 1867 0.112E-02 0.308E-03
RMM: 11 -0.107655350521E+04 -0.22926E-03 -0.23707E-03 2071 0.143E-02 0.249E-03
RMM: 12 -0.107655372220E+04 -0.21698E-03 -0.22362E-03 1800 0.126E-02 0.200E-03
RMM: 13 -0.107655392844E+04 -0.20624E-03 -0.21269E-03 1594 0.134E-02 0.275E-03
RMM: 14 -0.107655412835E+04 -0.19991E-03 -0.20764E-03 1614 0.164E-02 0.348E-03
RMM: 15 -0.107655432142E+04 -0.19307E-03 -0.20082E-03 1559 0.165E-02 0.421E-03
RMM: 16 -0.107655450535E+04 -0.18393E-03 -0.19201E-03 1588 0.162E-02 0.493E-03
RMM: 17 -0.107655468348E+04 -0.17813E-03 -0.18484E-03 1537 0.159E-02 0.561E-03
RMM: 18 -0.107655485362E+04 -0.17015E-03 -0.17734E-03 1526 0.165E-02 0.630E-03
RMM: 19 -0.107655501959E+04 -0.16597E-03 -0.17430E-03 1552 0.170E-02 0.700E-03
RMM: 20 -0.107655517626E+04 -0.15667E-03 -0.16364E-03 1490 0.155E-02 0.771E-03
RMM: 21 -0.107655533009E+04 -0.15383E-03 -0.16197E-03 1601 0.169E-02 0.835E-03
RMM: 22 -0.107655547586E+04 -0.14577E-03 -0.15320E-03 1503 0.157E-02 0.903E-03
RMM: 23 -0.107655561649E+04 -0.14063E-03 -0.14861E-03 1496 0.167E-02 0.970E-03
RMM: 24 -0.107655575327E+04 -0.13678E-03 -0.14533E-03 1560 0.173E-02 0.103E-02
RMM: 25 -0.107655588531E+04 -0.13204E-03 -0.14040E-03 1541 0.166E-02 0.109E-02
RMM: 26 -0.107655601049E+04 -0.12518E-03 -0.13251E-03 1479 0.156E-02 0.116E-02
RMM: 27 -0.107655613336E+04 -0.12287E-03 -0.13107E-03 1565 0.169E-02 0.122E-02
RMM: 28 -0.107655625150E+04 -0.11815E-03 -0.12567E-03 1508 0.158E-02 0.127E-02
RMM: 29 -0.107655636411E+04 -0.11261E-03 -0.12023E-03 1505 0.154E-02 0.133E-02
RMM: 30 -0.107655647249E+04 -0.10837E-03 -0.11549E-03 1470 0.158E-02 0.138E-02
RMM: 31 -0.107655657972E+04 -0.10723E-03 -0.11611E-03 1593 0.172E-02 0.144E-02
RMM: 32 -0.107655668174E+04 -0.10202E-03 -0.10938E-03 1490 0.150E-02 0.149E-02
RMM: 33 -0.107655677866E+04 -0.96921E-04 -0.10400E-03 1445 0.150E-02 0.155E-02
RMM: 34 -0.107655687363E+04 -0.94971E-04 -0.10304E-03 1526 0.163E-02 0.160E-02
RMM: 35 -0.107655696461E+04 -0.90983E-04 -0.98414E-04 1507 0.157E-02
591 T= 673. E= -.10764721E+04 F= -.10765570E+04 E0= -.10765200E+04 EK= 0.13480E+02 SP= -.13E+02 SK= 0.59E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107633538664E+04 0.22149E+00 -0.14695E+00 3308 0.123E+00 0.425E-01
RMM: 2 -0.107634060034E+04 -0.52137E-02 -0.11242E-01 4270 0.359E-01 0.318E-01
RMM: 3 -0.107634041989E+04 0.18045E-03 -0.23533E-02 4343 0.131E-01 0.272E-01
RMM: 4 -0.107633987204E+04 0.54786E-03 -0.75694E-03 3767 0.608E-02 0.146E-01
RMM: 5 -0.107634010817E+04 -0.23614E-03 -0.45432E-03 3267 0.375E-02 0.516E-02
RMM: 6 -0.107634027265E+04 -0.16448E-03 -0.24154E-03 2619 0.196E-02 0.330E-02
RMM: 7 -0.107634047268E+04 -0.20002E-03 -0.21597E-03 2478 0.151E-02 0.142E-02
RMM: 8 -0.107634065175E+04 -0.17907E-03 -0.18911E-03 2006 0.105E-02 0.926E-03
RMM: 9 -0.107634082121E+04 -0.16946E-03 -0.17290E-03 1900 0.978E-03 0.630E-03
RMM: 10 -0.107634099695E+04 -0.17574E-03 -0.17512E-03 2094 0.122E-02 0.461E-03
RMM: 11 -0.107634115613E+04 -0.15917E-03 -0.16264E-03 1862 0.993E-03 0.244E-03
RMM: 12 -0.107634131302E+04 -0.15689E-03 -0.16160E-03 1738 0.116E-02 0.229E-03
RMM: 13 -0.107634146082E+04 -0.14780E-03 -0.15387E-03 1541 0.131E-02 0.307E-03
RMM: 14 -0.107634161222E+04 -0.15140E-03 -0.15823E-03 1618 0.152E-02 0.460E-03
RMM: 15 -0.107634175491E+04 -0.14269E-03 -0.14774E-03 1518 0.135E-02 0.488E-03
RMM: 16 -0.107634189721E+04 -0.14230E-03 -0.14967E-03 1656 0.153E-02 0.448E-03
RMM: 17 -0.107634203497E+04 -0.13776E-03 -0.14402E-03 1744 0.145E-02 0.326E-03
RMM: 18 -0.107634217047E+04 -0.13551E-03 -0.14154E-03 1552 0.141E-02 0.300E-03
RMM: 19 -0.107634230217E+04 -0.13170E-03 -0.13891E-03 1516 0.149E-02 0.352E-03
RMM: 20 -0.107634243066E+04 -0.12849E-03 -0.13509E-03 1490 0.139E-02 0.417E-03
RMM: 21 -0.107634255640E+04 -0.12574E-03 -0.13249E-03 1520 0.150E-02 0.479E-03
RMM: 22 -0.107634268074E+04 -0.12434E-03 -0.13127E-03 1504 0.157E-02 0.547E-03
RMM: 23 -0.107634280238E+04 -0.12164E-03 -0.12939E-03 1569 0.166E-02 0.604E-03
RMM: 24 -0.107634292325E+04 -0.12088E-03 -0.12839E-03 1542 0.161E-02 0.672E-03
RMM: 25 -0.107634303940E+04 -0.11614E-03 -0.12293E-03 1464 0.156E-02 0.739E-03
RMM: 26 -0.107634315615E+04 -0.11675E-03 -0.12505E-03 1567 0.173E-02 0.807E-03
RMM: 27 -0.107634327066E+04 -0.11451E-03 -0.12234E-03 1562 0.168E-02 0.869E-03
RMM: 28 -0.107634338366E+04 -0.11300E-03 -0.12033E-03 1552 0.155E-02 0.930E-03
RMM: 29 -0.107634349287E+04 -0.10921E-03 -0.11578E-03 1456 0.150E-02 0.998E-03
RMM: 30 -0.107634359962E+04 -0.10675E-03 -0.11408E-03 1500 0.161E-02 0.107E-02
RMM: 31 -0.107634370720E+04 -0.10758E-03 -0.11576E-03 1574 0.173E-02 0.113E-02
RMM: 32 -0.107634381134E+04 -0.10415E-03 -0.11181E-03 1503 0.160E-02 0.120E-02
RMM: 33 -0.107634391373E+04 -0.10238E-03 -0.11041E-03 1540 0.164E-02 0.126E-02
RMM: 34 -0.107634401457E+04 -0.10085E-03 -0.10883E-03 1521 0.168E-02 0.133E-02
RMM: 35 -0.107634411305E+04 -0.98481E-04 -0.10665E-03 1519 0.168E-02 0.139E-02
RMM: 36 -0.107634421091E+04 -0.97852E-04 -0.10572E-03 1533 0.166E-02 0.146E-02
RMM: 37 -0.107634430608E+04 -0.95172E-04 -0.10250E-03 1508 0.162E-02 0.152E-02
RMM: 38 -0.107634440050E+04 -0.94419E-04 -0.10256E-03 1522 0.169E-02 0.158E-02
RMM: 39 -0.107634449320E+04 -0.92703E-04 -0.10013E-03 1505 0.165E-02 0.164E-02
RMM: 40 -0.107634458340E+04 -0.90198E-04 -0.97641E-04 1487 0.161E-02
592 T= 654. E= -.10764448E+04 F= -.10763446E+04 E0= -.10763094E+04 EK= 0.13110E+02 SP= -.13E+02 SK= 0.48E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107618730584E+04 0.15719E+00 -0.10584E+00 3360 0.107E+00 0.295E-01
RMM: 2 -0.107619200687E+04 -0.47010E-02 -0.78575E-02 4190 0.314E-01 0.220E-01
RMM: 3 -0.107619245860E+04 -0.45173E-03 -0.14903E-02 4232 0.111E-01 0.187E-01
RMM: 4 -0.107619233381E+04 0.12479E-03 -0.42020E-03 3729 0.490E-02 0.117E-01
RMM: 5 -0.107619236182E+04 -0.28010E-04 -0.19725E-03 3143 0.299E-02 0.332E-02
RMM: 6 -0.107619243592E+04 -0.74103E-04 -0.95052E-04 2316 0.162E-02
593 T= 639. E= -.10764330E+04 F= -.10761924E+04 E0= -.10761596E+04 EK= 0.12812E+02 SP= -.13E+02 SK= 0.35E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107624549618E+04 -0.53134E-01 -0.10564E+00 3403 0.105E+00 0.312E-01
RMM: 2 -0.107625050252E+04 -0.50063E-02 -0.68711E-02 4077 0.288E-01 0.234E-01
RMM: 3 -0.107625160695E+04 -0.11044E-02 -0.16050E-02 4051 0.107E-01 0.154E-01
RMM: 4 -0.107625194897E+04 -0.34202E-03 -0.58962E-03 3643 0.509E-02 0.826E-02
RMM: 5 -0.107625198889E+04 -0.39914E-04 -0.27471E-03 2877 0.244E-02 0.342E-02
RMM: 6 -0.107625218079E+04 -0.19191E-03 -0.20880E-03 2354 0.164E-02 0.111E-02
RMM: 7 -0.107625237236E+04 -0.19157E-03 -0.19346E-03 2072 0.136E-02 0.700E-03
RMM: 8 -0.107625253953E+04 -0.16718E-03 -0.16757E-03 1945 0.108E-02 0.485E-03
RMM: 9 -0.107625270498E+04 -0.16544E-03 -0.16616E-03 1908 0.114E-02 0.262E-03
RMM: 10 -0.107625285278E+04 -0.14781E-03 -0.15037E-03 2002 0.130E-02 0.154E-03
RMM: 11 -0.107625299910E+04 -0.14632E-03 -0.15042E-03 1874 0.132E-02 0.126E-03
RMM: 12 -0.107625313022E+04 -0.13112E-03 -0.13713E-03 1913 0.143E-02 0.121E-03
RMM: 13 -0.107625325887E+04 -0.12866E-03 -0.13577E-03 1660 0.141E-02 0.145E-03
RMM: 14 -0.107625337650E+04 -0.11762E-03 -0.12491E-03 1591 0.149E-02 0.227E-03
RMM: 15 -0.107625349213E+04 -0.11564E-03 -0.12284E-03 1550 0.155E-02 0.261E-03
RMM: 16 -0.107625360185E+04 -0.10972E-03 -0.11710E-03 1621 0.165E-02 0.292E-03
RMM: 17 -0.107625370901E+04 -0.10716E-03 -0.11424E-03 1567 0.154E-02 0.311E-03
RMM: 18 -0.107625380994E+04 -0.10093E-03 -0.10859E-03 1564 0.154E-02 0.347E-03
RMM: 19 -0.107625390608E+04 -0.96134E-04 -0.10452E-03 1496 0.149E-02 0.386E-03
RMM: 20 -0.107625399737E+04 -0.91291E-04 -0.97814E-04 1518 0.148E-02
594 T= 637. E= -.10764262E+04 F= -.10762540E+04 E0= -.10762229E+04 EK= 0.12753E+02 SP= -.13E+02 SK= 0.22E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107655087260E+04 -0.29697E+00 -0.96777E-01 3412 0.987E-01 0.307E-01
RMM: 2 -0.107655551804E+04 -0.46454E-02 -0.63207E-02 4018 0.265E-01 0.234E-01
RMM: 3 -0.107655642934E+04 -0.91130E-03 -0.14986E-02 3879 0.979E-02 0.147E-01
RMM: 4 -0.107655678786E+04 -0.35852E-03 -0.53161E-03 3553 0.472E-02 0.806E-02
RMM: 5 -0.107655674070E+04 0.47164E-04 -0.23963E-03 2790 0.232E-02 0.341E-02
RMM: 6 -0.107655690740E+04 -0.16671E-03 -0.18967E-03 2233 0.154E-02 0.111E-02
RMM: 7 -0.107655707349E+04 -0.16609E-03 -0.17109E-03 2081 0.138E-02 0.786E-03
RMM: 8 -0.107655722866E+04 -0.15517E-03 -0.15876E-03 1892 0.107E-02 0.506E-03
RMM: 9 -0.107655737623E+04 -0.14757E-03 -0.14872E-03 1788 0.100E-02 0.181E-03
RMM: 10 -0.107655751680E+04 -0.14057E-03 -0.14501E-03 1917 0.127E-02 0.129E-03
RMM: 11 -0.107655765187E+04 -0.13507E-03 -0.14059E-03 1798 0.132E-02 0.137E-03
RMM: 12 -0.107655777896E+04 -0.12709E-03 -0.13298E-03 1792 0.135E-02 0.183E-03
RMM: 13 -0.107655790280E+04 -0.12384E-03 -0.13097E-03 1619 0.146E-02 0.281E-03
RMM: 14 -0.107655801831E+04 -0.11551E-03 -0.12149E-03 1482 0.141E-02 0.311E-03
RMM: 15 -0.107655813166E+04 -0.11335E-03 -0.12176E-03 1570 0.165E-02 0.377E-03
RMM: 16 -0.107655823919E+04 -0.10753E-03 -0.11472E-03 1467 0.154E-02 0.445E-03
RMM: 17 -0.107655834362E+04 -0.10442E-03 -0.11206E-03 1532 0.161E-02 0.503E-03
RMM: 18 -0.107655844268E+04 -0.99061E-04 -0.10605E-03 1455 0.150E-02 0.566E-03
RMM: 19 -0.107655853724E+04 -0.94563E-04 -0.10181E-03 1452 0.156E-02 0.628E-03
RMM: 20 -0.107655862911E+04 -0.91868E-04 -0.10013E-03 1532 0.165E-02 0.687E-03
RMM: 21 -0.107655871742E+04 -0.88315E-04 -0.96277E-04 1490 0.160E-02
595 T= 646. E= -.10764434E+04 F= -.10765587E+04 E0= -.10765287E+04 EK= 0.12943E+02 SP= -.13E+02 SK= 0.12E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107685423812E+04 -0.29561E+00 -0.80281E-01 3356 0.936E-01 0.236E-01
RMM: 2 -0.107685845463E+04 -0.42165E-02 -0.54673E-02 4055 0.264E-01 0.176E-01
RMM: 3 -0.107685919903E+04 -0.74440E-03 -0.10988E-02 3948 0.938E-02 0.130E-01
RMM: 4 -0.107685933693E+04 -0.13790E-03 -0.34028E-03 3524 0.428E-02 0.777E-02
RMM: 5 -0.107685931555E+04 0.21378E-04 -0.13587E-03 2885 0.232E-02 0.287E-02
RMM: 6 -0.107685938636E+04 -0.70811E-04 -0.86504E-04 2100 0.147E-02
596 T= 656. E= -.10764629E+04 F= -.10768594E+04 E0= -.10768308E+04 EK= 0.13150E+02 SP= -.13E+02 SK= 0.66E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107689809998E+04 -0.38784E-01 -0.98797E-01 3377 0.104E+00 0.276E-01
RMM: 2 -0.107690305289E+04 -0.49529E-02 -0.64032E-02 4057 0.289E-01 0.198E-01
RMM: 3 -0.107690407963E+04 -0.10267E-02 -0.14168E-02 4055 0.107E-01 0.126E-01
RMM: 4 -0.107690439034E+04 -0.31072E-03 -0.45808E-03 3639 0.482E-02 0.682E-02
RMM: 5 -0.107690441684E+04 -0.26492E-04 -0.21102E-03 2820 0.238E-02 0.302E-02
RMM: 6 -0.107690453013E+04 -0.11330E-03 -0.13962E-03 2127 0.155E-02 0.124E-02
RMM: 7 -0.107690466172E+04 -0.13158E-03 -0.13723E-03 2121 0.148E-02 0.558E-03
RMM: 8 -0.107690477280E+04 -0.11109E-03 -0.11301E-03 1859 0.101E-02 0.450E-03
RMM: 9 -0.107690487939E+04 -0.10659E-03 -0.10852E-03 1781 0.101E-02 0.297E-03
RMM: 10 -0.107690497497E+04 -0.95579E-04 -0.99107E-04 2014 0.141E-02
597 T= 656. E= -.10764587E+04 F= -.10769050E+04 E0= -.10768778E+04 EK= 0.13148E+02 SP= -.13E+02 SK= 0.28E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107676238741E+04 0.14249E+00 -0.10882E+00 3370 0.110E+00 0.292E-01
RMM: 2 -0.107676791873E+04 -0.55313E-02 -0.72467E-02 4067 0.308E-01 0.212E-01
RMM: 3 -0.107676888739E+04 -0.96866E-03 -0.15016E-02 4019 0.112E-01 0.132E-01
RMM: 4 -0.107676927334E+04 -0.38596E-03 -0.51764E-03 3726 0.515E-02 0.741E-02
RMM: 5 -0.107676924158E+04 0.31765E-04 -0.20326E-03 2841 0.243E-02 0.346E-02
RMM: 6 -0.107676936442E+04 -0.12284E-03 -0.15208E-03 2207 0.161E-02 0.135E-02
RMM: 7 -0.107676948909E+04 -0.12467E-03 -0.13018E-03 2106 0.150E-02 0.763E-03
RMM: 8 -0.107676960582E+04 -0.11673E-03 -0.12121E-03 1860 0.105E-02 0.486E-03
RMM: 9 -0.107676970844E+04 -0.10262E-03 -0.10513E-03 1843 0.112E-02 0.213E-03
RMM: 10 -0.107676981400E+04 -0.10556E-03 -0.11105E-03 2076 0.148E-02 0.117E-03
RMM: 11 -0.107676990715E+04 -0.93153E-04 -0.98602E-04 1837 0.131E-02
598 T= 649. E= -.10764440E+04 F= -.10767699E+04 E0= -.10767432E+04 EK= 0.12997E+02 SP= -.13E+02 SK= 0.55E-03
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107668081960E+04 0.88994E-01 -0.10072E+00 3377 0.105E+00 0.270E-01
RMM: 2 -0.107668607804E+04 -0.52584E-02 -0.67969E-02 4079 0.300E-01 0.201E-01
RMM: 3 -0.107668686062E+04 -0.78258E-03 -0.13688E-02 4092 0.109E-01 0.124E-01
RMM: 4 -0.107668710594E+04 -0.24531E-03 -0.41737E-03 3647 0.499E-02 0.538E-02
RMM: 5 -0.107668717342E+04 -0.67485E-04 -0.16763E-03 2858 0.237E-02 0.368E-02
RMM: 6 -0.107668724861E+04 -0.75187E-04 -0.11876E-03 2146 0.160E-02 0.170E-02
RMM: 7 -0.107668735251E+04 -0.10390E-03 -0.10890E-03 2163 0.157E-02 0.671E-03
RMM: 8 -0.107668745497E+04 -0.10246E-03 -0.10416E-03 1876 0.104E-02 0.558E-03
RMM: 9 -0.107668754675E+04 -0.91786E-04 -0.93186E-04 1800 0.106E-02
599 T= 645. E= -.10764340E+04 F= -.10766875E+04 E0= -.10766590E+04 EK= 0.12919E+02 SP= -.13E+02 SK= 0.99E-04
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107683897663E+04 -0.15152E+00 -0.12138E+00 3348 0.111E+00 0.348E-01
RMM: 2 -0.107684486256E+04 -0.58859E-02 -0.82590E-02 4059 0.310E-01 0.266E-01
RMM: 3 -0.107684597008E+04 -0.11075E-02 -0.19506E-02 4097 0.117E-01 0.164E-01
RMM: 4 -0.107684648856E+04 -0.51848E-03 -0.72546E-03 3668 0.545E-02 0.912E-02
RMM: 5 -0.107684644771E+04 0.40847E-04 -0.33026E-03 2948 0.263E-02 0.425E-02
RMM: 6 -0.107684669829E+04 -0.25058E-03 -0.28678E-03 2460 0.171E-02 0.140E-02
RMM: 7 -0.107684693709E+04 -0.23880E-03 -0.24561E-03 1991 0.128E-02 0.772E-03
RMM: 8 -0.107684717886E+04 -0.24177E-03 -0.24512E-03 1906 0.117E-02 0.527E-03
RMM: 9 -0.107684740442E+04 -0.22555E-03 -0.22998E-03 1892 0.124E-02 0.256E-03
RMM: 10 -0.107684763212E+04 -0.22770E-03 -0.23364E-03 1982 0.137E-02 0.183E-03
RMM: 11 -0.107684784335E+04 -0.21124E-03 -0.21524E-03 1802 0.120E-02 0.172E-03
RMM: 12 -0.107684805810E+04 -0.21474E-03 -0.22155E-03 1990 0.148E-02 0.176E-03
RMM: 13 -0.107684825838E+04 -0.20028E-03 -0.20661E-03 1654 0.131E-02 0.242E-03
RMM: 14 -0.107684845882E+04 -0.20045E-03 -0.20723E-03 1600 0.144E-02 0.290E-03
RMM: 15 -0.107684864956E+04 -0.19073E-03 -0.19782E-03 1529 0.150E-02 0.419E-03
RMM: 16 -0.107684883974E+04 -0.19018E-03 -0.19857E-03 1567 0.160E-02 0.443E-03
RMM: 17 -0.107684902288E+04 -0.18314E-03 -0.19024E-03 1556 0.160E-02 0.580E-03
RMM: 18 -0.107684920433E+04 -0.18145E-03 -0.18890E-03 1565 0.157E-02 0.645E-03
RMM: 19 -0.107684937721E+04 -0.17287E-03 -0.17935E-03 1460 0.150E-02 0.745E-03
RMM: 20 -0.107684955097E+04 -0.17376E-03 -0.18184E-03 1574 0.167E-02 0.811E-03
RMM: 21 -0.107684971782E+04 -0.16685E-03 -0.17394E-03 1501 0.153E-02 0.903E-03
RMM: 22 -0.107684988138E+04 -0.16356E-03 -0.17112E-03 1497 0.155E-02 0.978E-03
RMM: 23 -0.107685004029E+04 -0.15891E-03 -0.16668E-03 1543 0.163E-02 0.105E-02
RMM: 24 -0.107685019780E+04 -0.15751E-03 -0.16461E-03 1513 0.160E-02 0.113E-02
RMM: 25 -0.107685034964E+04 -0.15184E-03 -0.15929E-03 1478 0.160E-02 0.120E-02
RMM: 26 -0.107685049947E+04 -0.14983E-03 -0.15705E-03 1493 0.164E-02 0.127E-02
RMM: 27 -0.107685064648E+04 -0.14701E-03 -0.15474E-03 1542 0.167E-02 0.134E-02
RMM: 28 -0.107685079052E+04 -0.14404E-03 -0.15085E-03 1478 0.155E-02 0.141E-02
RMM: 29 -0.107685093016E+04 -0.13963E-03 -0.14646E-03 1469 0.157E-02 0.148E-02
RMM: 30 -0.107685106864E+04 -0.13849E-03 -0.14610E-03 1526 0.166E-02 0.155E-02
RMM: 31 -0.107685120308E+04 -0.13444E-03 -0.14145E-03 1464 0.155E-02 0.162E-02
RMM: 32 -0.107685133556E+04 -0.13248E-03 -0.13989E-03 1487 0.157E-02 0.169E-02
RMM: 33 -0.107685146457E+04 -0.12901E-03 -0.13632E-03 1488 0.155E-02 0.175E-02
RMM: 34 -0.107685159127E+04 -0.12670E-03 -0.13391E-03 1486 0.156E-02 0.182E-02
RMM: 35 -0.107685171444E+04 -0.12317E-03 -0.13037E-03 1450 0.158E-02 0.188E-02
RMM: 36 -0.107685183677E+04 -0.12233E-03 -0.13016E-03 1504 0.165E-02 0.194E-02
RMM: 37 -0.107685195621E+04 -0.11944E-03 -0.12657E-03 1470 0.156E-02 0.201E-02
RMM: 38 -0.107685207250E+04 -0.11629E-03 -0.12343E-03 1441 0.156E-02 0.207E-02
RMM: 39 -0.107685218819E+04 -0.11569E-03 -0.12321E-03 1498 0.164E-02 0.214E-02
RMM: 40 -0.107685230085E+04 -0.11266E-03 -0.11966E-03 1470 0.154E-02 0.220E-02
RMM: 41 -0.107685241052E+04 -0.10967E-03 -0.11631E-03 1409 0.152E-02 0.226E-02
RMM: 42 -0.107685251972E+04 -0.10920E-03 -0.11668E-03 1516 0.162E-02 0.233E-02
RMM: 43 -0.107685262521E+04 -0.10549E-03 -0.11219E-03 1397 0.150E-02 0.239E-02
RMM: 44 -0.107685272994E+04 -0.10473E-03 -0.11261E-03 1502 0.161E-02 0.246E-02
RMM: 45 -0.107685283215E+04 -0.10221E-03 -0.10931E-03 1459 0.153E-02 0.251E-02
RMM: 46 -0.107685293147E+04 -0.99324E-04 -0.10581E-03 1410 0.148E-02 0.257E-02
RMM: 47 -0.107685303030E+04 -0.98827E-04 -0.10560E-03 1464 0.159E-02 0.264E-02
RMM: 48 -0.107685312664E+04 -0.96343E-04 -0.10360E-03 1446 0.159E-02 0.270E-02
RMM: 49 -0.107685322016E+04 -0.93517E-04 -0.10118E-03 1434 0.158E-02 0.276E-02
RMM: 50 -0.107685331371E+04 -0.93552E-04 -0.10127E-03 1500 0.164E-02 0.282E-02
RMM: 51 -0.107685340508E+04 -0.91374E-04 -0.98421E-04 1461 0.154E-02
600 T= 654. E= -.10764458E+04 F= -.10768534E+04 E0= -.10768195E+04 EK= 0.13094E+02 SP= -.13E+02 SK= 0.18E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107715568894E+04 -0.30238E+00 -0.10636E+00 3353 0.104E+00 0.325E-01
RMM: 2 -0.107716081131E+04 -0.51224E-02 -0.75616E-02 4106 0.290E-01 0.248E-01
RMM: 3 -0.107716203985E+04 -0.12285E-02 -0.18813E-02 4182 0.109E-01 0.186E-01
RMM: 4 -0.107716227473E+04 -0.23489E-03 -0.61467E-03 3588 0.492E-02 0.104E-01
RMM: 5 -0.107716235174E+04 -0.77003E-04 -0.32153E-03 3033 0.275E-02 0.362E-02
RMM: 6 -0.107716256483E+04 -0.21309E-03 -0.23844E-03 2285 0.159E-02 0.191E-02
RMM: 7 -0.107716278242E+04 -0.21759E-03 -0.22528E-03 2044 0.121E-02 0.117E-02
RMM: 8 -0.107716299141E+04 -0.20899E-03 -0.21420E-03 2013 0.108E-02 0.546E-03
RMM: 9 -0.107716320002E+04 -0.20860E-03 -0.20990E-03 1846 0.105E-02 0.352E-03
RMM: 10 -0.107716340961E+04 -0.20959E-03 -0.21518E-03 2060 0.141E-02 0.212E-03
RMM: 11 -0.107716361143E+04 -0.20182E-03 -0.20395E-03 1812 0.107E-02 0.199E-03
RMM: 12 -0.107716381129E+04 -0.19985E-03 -0.20421E-03 1851 0.132E-02 0.262E-03
RMM: 13 -0.107716401098E+04 -0.19970E-03 -0.20397E-03 1681 0.137E-02 0.464E-03
RMM: 14 -0.107716420469E+04 -0.19371E-03 -0.19897E-03 1535 0.136E-02 0.473E-03
RMM: 15 -0.107716439876E+04 -0.19407E-03 -0.20211E-03 1648 0.166E-02 0.496E-03
RMM: 16 -0.107716459228E+04 -0.19352E-03 -0.20099E-03 1678 0.160E-02 0.525E-03
RMM: 17 -0.107716478084E+04 -0.18856E-03 -0.19416E-03 1527 0.142E-02 0.592E-03
RMM: 18 -0.107716496866E+04 -0.18781E-03 -0.19376E-03 1527 0.155E-02 0.734E-03
RMM: 19 -0.107716515351E+04 -0.18485E-03 -0.19145E-03 1547 0.154E-02 0.815E-03
RMM: 20 -0.107716533643E+04 -0.18292E-03 -0.18977E-03 1537 0.155E-02 0.939E-03
RMM: 21 -0.107716551699E+04 -0.18057E-03 -0.18684E-03 1513 0.149E-02 0.105E-02
RMM: 22 -0.107716569435E+04 -0.17736E-03 -0.18381E-03 1477 0.151E-02 0.118E-02
RMM: 23 -0.107716587009E+04 -0.17574E-03 -0.18461E-03 1585 0.165E-02 0.128E-02
RMM: 24 -0.107716604263E+04 -0.17254E-03 -0.17850E-03 1443 0.150E-02 0.142E-02
RMM: 25 -0.107716621300E+04 -0.17037E-03 -0.17736E-03 1537 0.159E-02 0.153E-02
RMM: 26 -0.107716638029E+04 -0.16728E-03 -0.17547E-03 1531 0.161E-02 0.163E-02
RMM: 27 -0.107716654456E+04 -0.16428E-03 -0.17101E-03 1523 0.153E-02 0.175E-02
RMM: 28 -0.107716670525E+04 -0.16069E-03 -0.16711E-03 1452 0.155E-02 0.187E-02
RMM: 29 -0.107716686528E+04 -0.16002E-03 -0.16720E-03 1546 0.168E-02 0.198E-02
RMM: 30 -0.107716702207E+04 -0.15680E-03 -0.16350E-03 1490 0.157E-02 0.209E-02
RMM: 31 -0.107716717483E+04 -0.15276E-03 -0.15949E-03 1484 0.154E-02 0.221E-02
RMM: 32 -0.107716732497E+04 -0.15013E-03 -0.15710E-03 1507 0.159E-02 0.232E-02
RMM: 33 -0.107716747246E+04 -0.14749E-03 -0.15447E-03 1503 0.161E-02 0.242E-02
RMM: 34 -0.107716761637E+04 -0.14391E-03 -0.15104E-03 1461 0.158E-02 0.253E-02
RMM: 35 -0.107716775658E+04 -0.14022E-03 -0.14726E-03 1479 0.164E-02 0.263E-02
RMM: 36 -0.107716789642E+04 -0.13984E-03 -0.14798E-03 1544 0.171E-02 0.273E-02
RMM: 37 -0.107716803136E+04 -0.13494E-03 -0.14167E-03 1454 0.152E-02 0.283E-02
RMM: 38 -0.107716816407E+04 -0.13270E-03 -0.13932E-03 1478 0.158E-02 0.293E-02
RMM: 39 -0.107716829413E+04 -0.13006E-03 -0.13654E-03 1463 0.158E-02 0.303E-02
RMM: 40 -0.107716842172E+04 -0.12759E-03 -0.13356E-03 1472 0.158E-02 0.315E-02
RMM: 41 -0.107716854579E+04 -0.12407E-03 -0.13001E-03 1479 0.156E-02 0.326E-02
RMM: 42 -0.107716866714E+04 -0.12135E-03 -0.12696E-03 1465 0.158E-02 0.337E-02
RMM: 43 -0.107716878432E+04 -0.11717E-03 -0.12427E-03 1480 0.166E-02 0.348E-02
RMM: 44 -0.107716889990E+04 -0.11558E-03 -0.12347E-03 1512 0.171E-02 0.357E-02
RMM: 45 -0.107716901138E+04 -0.11147E-03 -0.11909E-03 1475 0.162E-02 0.366E-02
RMM: 46 -0.107716911951E+04 -0.10813E-03 -0.11485E-03 1449 0.157E-02 0.374E-02
RMM: 47 -0.107716922614E+04 -0.10664E-03 -0.11402E-03 1495 0.165E-02 0.383E-02
RMM: 48 -0.107716932926E+04 -0.10311E-03 -0.11083E-03 1461 0.157E-02 0.391E-02
RMM: 49 -0.107716942974E+04 -0.10049E-03 -0.10775E-03 1477 0.155E-02 0.398E-02
RMM: 50 -0.107716952517E+04 -0.95432E-04 -0.10319E-03 1401 0.150E-02 0.405E-02
RMM: 51 -0.107716961939E+04 -0.94215E-04 -0.10256E-03 1472 0.162E-02 0.411E-02
RMM: 52 -0.107716971013E+04 -0.90742E-04 -0.10005E-03 1466 0.161E-02 0.416E-02
RMM: 53 -0.107716979839E+04 -0.88260E-04 -0.96667E-04 1454 0.159E-02
601 T= 670. E= -.10764831E+04 F= -.10771698E+04 E0= -.10771351E+04 EK= 0.13418E+02 SP= -.13E+02 SK= 0.44E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107717733516E+04 -0.76250E-02 -0.96121E-01 3375 0.999E-01 0.289E-01
RMM: 2 -0.107718222211E+04 -0.48870E-02 -0.69678E-02 4116 0.282E-01 0.219E-01
RMM: 3 -0.107718325562E+04 -0.10335E-02 -0.16535E-02 4156 0.103E-01 0.167E-01
RMM: 4 -0.107718346724E+04 -0.21162E-03 -0.56569E-03 3523 0.466E-02 0.926E-02
RMM: 5 -0.107718365455E+04 -0.18731E-03 -0.37926E-03 3063 0.282E-02 0.367E-02
RMM: 6 -0.107718386396E+04 -0.20941E-03 -0.24812E-03 2206 0.156E-02 0.216E-02
RMM: 7 -0.107718411784E+04 -0.25388E-03 -0.26226E-03 2110 0.126E-02 0.107E-02
RMM: 8 -0.107718433320E+04 -0.21536E-03 -0.22298E-03 1939 0.101E-02 0.577E-03
RMM: 9 -0.107718456246E+04 -0.22926E-03 -0.23212E-03 1822 0.108E-02 0.403E-03
RMM: 10 -0.107718477979E+04 -0.21733E-03 -0.22440E-03 2196 0.156E-02 0.216E-03
RMM: 11 -0.107718499784E+04 -0.21805E-03 -0.22143E-03 1830 0.108E-02 0.198E-03
RMM: 12 -0.107718520025E+04 -0.20241E-03 -0.20720E-03 1733 0.128E-02 0.255E-03
RMM: 13 -0.107718540600E+04 -0.20575E-03 -0.21144E-03 1512 0.149E-02 0.434E-03
RMM: 14 -0.107718560519E+04 -0.19919E-03 -0.20900E-03 1716 0.184E-02 0.402E-03
RMM: 15 -0.107718580613E+04 -0.20094E-03 -0.20779E-03 1512 0.146E-02 0.467E-03
RMM: 16 -0.107718599739E+04 -0.19126E-03 -0.19932E-03 1520 0.141E-02 0.541E-03
RMM: 17 -0.107718618851E+04 -0.19112E-03 -0.20019E-03 1438 0.134E-02 0.641E-03
RMM: 18 -0.107718637617E+04 -0.18766E-03 -0.20252E-03 1481 0.154E-02 0.738E-03
RMM: 19 -0.107718654508E+04 -0.16891E-03 -0.19470E-03 1537 0.160E-02 0.809E-03
RMM: 20 -0.107718671819E+04 -0.17311E-03 -0.17990E-03 1492 0.151E-02 0.907E-03
RMM: 21 -0.107718689021E+04 -0.17202E-03 -0.17864E-03 1494 0.153E-02 0.996E-03
RMM: 22 -0.107718705469E+04 -0.16448E-03 -0.17163E-03 1475 0.156E-02 0.109E-02
RMM: 23 -0.107718721737E+04 -0.16268E-03 -0.16970E-03 1491 0.163E-02 0.118E-02
RMM: 24 -0.107718737671E+04 -0.15934E-03 -0.16739E-03 1592 0.172E-02 0.127E-02
RMM: 25 -0.107718753121E+04 -0.15450E-03 -0.16150E-03 1466 0.152E-02 0.135E-02
RMM: 26 -0.107718768061E+04 -0.14939E-03 -0.15627E-03 1469 0.159E-02 0.144E-02
RMM: 27 -0.107718782875E+04 -0.14814E-03 -0.15586E-03 1547 0.169E-02 0.152E-02
RMM: 28 -0.107718797169E+04 -0.14295E-03 -0.15061E-03 1523 0.162E-02 0.160E-02
RMM: 29 -0.107718811009E+04 -0.13840E-03 -0.14509E-03 1440 0.151E-02 0.168E-02
RMM: 30 -0.107718824570E+04 -0.13561E-03 -0.14358E-03 1549 0.168E-02 0.176E-02
RMM: 31 -0.107718837764E+04 -0.13194E-03 -0.13949E-03 1475 0.161E-02 0.183E-02
RMM: 32 -0.107718850552E+04 -0.12788E-03 -0.13533E-03 1477 0.161E-02 0.191E-02
RMM: 33 -0.107718863082E+04 -0.12530E-03 -0.13358E-03 1518 0.164E-02 0.198E-02
RMM: 34 -0.107718875131E+04 -0.12049E-03 -0.12770E-03 1468 0.158E-02 0.204E-02
RMM: 35 -0.107718886938E+04 -0.11807E-03 -0.12586E-03 1504 0.163E-02 0.211E-02
RMM: 36 -0.107718898384E+04 -0.11446E-03 -0.12167E-03 1468 0.158E-02 0.218E-02
RMM: 37 -0.107718909400E+04 -0.11017E-03 -0.11819E-03 1470 0.159E-02 0.224E-02
RMM: 38 -0.107718920112E+04 -0.10712E-03 -0.11503E-03 1464 0.161E-02 0.229E-02
RMM: 39 -0.107718930519E+04 -0.10407E-03 -0.11257E-03 1493 0.164E-02 0.233E-02
RMM: 40 -0.107718940462E+04 -0.99434E-04 -0.10927E-03 1507 0.160E-02 0.235E-02
RMM: 41 -0.107718950097E+04 -0.96349E-04 -0.10591E-03 1564 0.161E-02 0.235E-02
RMM: 42 -0.107718959689E+04 -0.95920E-04 -0.10379E-03 1587 0.159E-02 0.240E-02
RMM: 43 -0.107718968905E+04 -0.92161E-04 -0.99538E-04 1471 0.146E-02
602 T= 674. E= -.10764854E+04 F= -.10771897E+04 E0= -.10771546E+04 EK= 0.13496E+02 SP= -.13E+02 SK= 0.72E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107687524648E+04 0.31435E+00 -0.13628E+00 3344 0.117E+00 0.387E-01
RMM: 2 -0.107688040251E+04 -0.51560E-02 -0.91205E-02 4120 0.330E-01 0.288E-01
RMM: 3 -0.107688096744E+04 -0.56493E-03 -0.18835E-02 4179 0.118E-01 0.176E-01
RMM: 4 -0.107688143180E+04 -0.46436E-03 -0.69725E-03 3678 0.568E-02 0.101E-01
RMM: 5 -0.107688119423E+04 0.23757E-03 -0.23138E-03 3058 0.277E-02 0.530E-02
RMM: 6 -0.107688128282E+04 -0.88592E-04 -0.15814E-03 2778 0.186E-02 0.219E-02
RMM: 7 -0.107688139344E+04 -0.11063E-03 -0.11773E-03 2055 0.121E-02 0.841E-03
RMM: 8 -0.107688150321E+04 -0.10977E-03 -0.11318E-03 2034 0.107E-02 0.621E-03
RMM: 9 -0.107688160523E+04 -0.10202E-03 -0.10415E-03 1850 0.877E-03 0.360E-03
RMM: 10 -0.107688170577E+04 -0.10054E-03 -0.10335E-03 1836 0.994E-03 0.185E-03
RMM: 11 -0.107688180015E+04 -0.94377E-04 -0.99605E-04 1878 0.121E-02
603 T= 664. E= -.10764504E+04 F= -.10768818E+04 E0= -.10768490E+04 EK= 0.13297E+02 SP= -.13E+02 SK= 0.11E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107662700362E+04 0.25470E+00 -0.10947E+00 3338 0.108E+00 0.294E-01
RMM: 2 -0.107663243771E+04 -0.54341E-02 -0.73698E-02 4105 0.304E-01 0.225E-01
RMM: 3 -0.107663328417E+04 -0.84646E-03 -0.14801E-02 4154 0.109E-01 0.149E-01
RMM: 4 -0.107663350140E+04 -0.21723E-03 -0.42955E-03 3628 0.520E-02 0.676E-02
RMM: 5 -0.107663342945E+04 0.71948E-04 -0.12596E-03 3014 0.257E-02 0.387E-02
RMM: 6 -0.107663343210E+04 -0.26533E-05 -0.50724E-04 2279 0.157E-02
604 T= 656. E= -.10764448E+04 F= -.10766334E+04 E0= -.10766073E+04 EK= 0.13146E+02 SP= -.13E+02 SK= 0.17E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107652555227E+04 0.10788E+00 -0.91193E-01 3411 0.100E+00 0.277E-01
RMM: 2 -0.107652973636E+04 -0.41841E-02 -0.61920E-02 4109 0.279E-01 0.196E-01
RMM: 3 -0.107653064987E+04 -0.91351E-03 -0.13839E-02 4186 0.104E-01 0.129E-01
RMM: 4 -0.107653082898E+04 -0.17912E-03 -0.34699E-03 3589 0.468E-02 0.553E-02
RMM: 5 -0.107653090424E+04 -0.75259E-04 -0.14854E-03 2830 0.237E-02 0.332E-02
RMM: 6 -0.107653092339E+04 -0.19145E-04 -0.64934E-04 2133 0.156E-02
605 T= 657. E= -.10764448E+04 F= -.10765309E+04 E0= -.10765034E+04 EK= 0.13156E+02 SP= -.13E+02 SK= 0.25E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107660470139E+04 -0.73797E-01 -0.10699E+00 3468 0.106E+00 0.332E-01
RMM: 2 -0.107660920056E+04 -0.44992E-02 -0.65017E-02 4062 0.274E-01 0.240E-01
RMM: 3 -0.107661001362E+04 -0.81305E-03 -0.15486E-02 4024 0.104E-01 0.128E-01
RMM: 4 -0.107661028698E+04 -0.27336E-03 -0.41490E-03 3607 0.464E-02 0.699E-02
RMM: 5 -0.107661023935E+04 0.47623E-04 -0.15160E-03 2784 0.229E-02 0.398E-02
RMM: 6 -0.107661032743E+04 -0.88081E-04 -0.11560E-03 2459 0.161E-02 0.113E-02
RMM: 7 -0.107661041558E+04 -0.88144E-04 -0.89095E-04 1996 0.118E-02
606 T= 668. E= -.10764407E+04 F= -.10766104E+04 E0= -.10765817E+04 EK= 0.13375E+02 SP= -.13E+02 SK= 0.33E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107691973809E+04 -0.30941E+00 -0.80343E-01 3468 0.933E-01 0.237E-01
RMM: 2 -0.107692399822E+04 -0.42601E-02 -0.51260E-02 4005 0.247E-01 0.177E-01
RMM: 3 -0.107692482147E+04 -0.82325E-03 -0.11552E-02 3856 0.905E-02 0.111E-01
RMM: 4 -0.107692508292E+04 -0.26145E-03 -0.38087E-03 3466 0.413E-02 0.529E-02
RMM: 5 -0.107692514962E+04 -0.66708E-04 -0.18949E-03 2631 0.214E-02 0.279E-02
RMM: 6 -0.107692528504E+04 -0.13541E-03 -0.15653E-03 2090 0.140E-02 0.133E-02
RMM: 7 -0.107692542040E+04 -0.13537E-03 -0.13972E-03 2216 0.148E-02 0.714E-03
RMM: 8 -0.107692555755E+04 -0.13715E-03 -0.14106E-03 2001 0.115E-02 0.411E-03
RMM: 9 -0.107692568248E+04 -0.12493E-03 -0.12508E-03 1812 0.102E-02 0.246E-03
RMM: 10 -0.107692581077E+04 -0.12829E-03 -0.12934E-03 1960 0.127E-02 0.114E-03
RMM: 11 -0.107692593256E+04 -0.12179E-03 -0.12829E-03 1938 0.151E-02 0.140E-03
RMM: 12 -0.107692605258E+04 -0.12002E-03 -0.12475E-03 1770 0.121E-02 0.180E-03
RMM: 13 -0.107692616662E+04 -0.11404E-03 -0.11943E-03 1580 0.131E-02 0.265E-03
RMM: 14 -0.107692628100E+04 -0.11439E-03 -0.12079E-03 1530 0.146E-02 0.324E-03
RMM: 15 -0.107692639338E+04 -0.11237E-03 -0.12027E-03 1595 0.166E-02 0.395E-03
RMM: 16 -0.107692650682E+04 -0.11345E-03 -0.12060E-03 1543 0.158E-02 0.465E-03
RMM: 17 -0.107692661753E+04 -0.11071E-03 -0.11758E-03 1575 0.156E-02 0.536E-03
RMM: 18 -0.107692672772E+04 -0.11019E-03 -0.11744E-03 1520 0.151E-02 0.603E-03
RMM: 19 -0.107692683414E+04 -0.10643E-03 -0.11304E-03 1495 0.147E-02 0.672E-03
RMM: 20 -0.107692694023E+04 -0.10609E-03 -0.11328E-03 1504 0.158E-02 0.745E-03
RMM: 21 -0.107692704587E+04 -0.10564E-03 -0.11286E-03 1542 0.162E-02 0.817E-03
RMM: 22 -0.107692715011E+04 -0.10424E-03 -0.11114E-03 1484 0.152E-02 0.889E-03
RMM: 23 -0.107692725248E+04 -0.10237E-03 -0.10909E-03 1478 0.153E-02 0.960E-03
RMM: 24 -0.107692735474E+04 -0.10226E-03 -0.10955E-03 1504 0.161E-02 0.103E-02
RMM: 25 -0.107692745619E+04 -0.10145E-03 -0.10896E-03 1545 0.161E-02 0.110E-02
RMM: 26 -0.107692755569E+04 -0.99504E-04 -0.10620E-03 1452 0.152E-02 0.117E-02
RMM: 27 -0.107692765461E+04 -0.98919E-04 -0.10630E-03 1510 0.162E-02 0.125E-02
RMM: 28 -0.107692775327E+04 -0.98657E-04 -0.10609E-03 1496 0.162E-02 0.132E-02
RMM: 29 -0.107692785055E+04 -0.97277E-04 -0.10437E-03 1480 0.157E-02 0.139E-02
RMM: 30 -0.107692794655E+04 -0.96007E-04 -0.10297E-03 1496 0.158E-02 0.146E-02
RMM: 31 -0.107692804197E+04 -0.95421E-04 -0.10277E-03 1497 0.160E-02 0.153E-02
RMM: 32 -0.107692813669E+04 -0.94717E-04 -0.10141E-03 1492 0.159E-02 0.160E-02
RMM: 33 -0.107692823018E+04 -0.93493E-04 -0.10033E-03 1474 0.161E-02 0.167E-02
RMM: 34 -0.107692832448E+04 -0.94301E-04 -0.10199E-03 1518 0.163E-02 0.174E-02
RMM: 35 -0.107692841614E+04 -0.91655E-04 -0.98577E-04 1452 0.155E-02
607 T= 690. E= -.10764626E+04 F= -.10769284E+04 E0= -.10768970E+04 EK= 0.13827E+02 SP= -.13E+02 SK= 0.39E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107726722380E+04 -0.33890E+00 -0.77368E-01 3368 0.922E-01 0.232E-01
RMM: 2 -0.107727127643E+04 -0.40526E-02 -0.52577E-02 4083 0.256E-01 0.174E-01
RMM: 3 -0.107727210645E+04 -0.83002E-03 -0.10936E-02 3980 0.915E-02 0.134E-01
RMM: 4 -0.107727224746E+04 -0.14101E-03 -0.34802E-03 3519 0.407E-02 0.812E-02
RMM: 5 -0.107727227596E+04 -0.28495E-04 -0.17073E-03 2951 0.245E-02 0.229E-02
RMM: 6 -0.107727236953E+04 -0.93576E-04 -0.10904E-03 2091 0.142E-02 0.139E-02
RMM: 7 -0.107727245484E+04 -0.85310E-04 -0.91997E-04 1988 0.112E-02
608 T= 714. E= -.10764874E+04 F= -.10772725E+04 E0= -.10772393E+04 EK= 0.14314E+02 SP= -.14E+02 SK= 0.39E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107739459576E+04 -0.12223E+00 -0.10014E+00 3330 0.104E+00 0.300E-01
RMM: 2 -0.107739923441E+04 -0.46386E-02 -0.73009E-02 4138 0.292E-01 0.222E-01
RMM: 3 -0.107740037381E+04 -0.11394E-02 -0.17963E-02 4233 0.109E-01 0.190E-01
RMM: 4 -0.107740049015E+04 -0.11633E-03 -0.63630E-03 3641 0.470E-02 0.118E-01
RMM: 5 -0.107740074129E+04 -0.25115E-03 -0.42490E-03 3080 0.305E-02 0.320E-02
RMM: 6 -0.107740103541E+04 -0.29412E-03 -0.32642E-03 2439 0.173E-02 0.207E-02
RMM: 7 -0.107740130373E+04 -0.26832E-03 -0.27993E-03 2022 0.118E-02 0.122E-02
RMM: 8 -0.107740157609E+04 -0.27236E-03 -0.27735E-03 1967 0.105E-02 0.493E-03
RMM: 9 -0.107740182392E+04 -0.24783E-03 -0.25007E-03 1847 0.973E-03 0.387E-03
RMM: 10 -0.107740207226E+04 -0.24833E-03 -0.25299E-03 1928 0.125E-02 0.236E-03
RMM: 11 -0.107740229877E+04 -0.22651E-03 -0.23056E-03 1946 0.129E-02 0.149E-03
RMM: 12 -0.107740252898E+04 -0.23022E-03 -0.23727E-03 1996 0.153E-02 0.149E-03
RMM: 13 -0.107740273878E+04 -0.20979E-03 -0.21595E-03 1668 0.130E-02 0.190E-03
RMM: 14 -0.107740294552E+04 -0.20675E-03 -0.21351E-03 1539 0.146E-02 0.315E-03
RMM: 15 -0.107740314220E+04 -0.19668E-03 -0.20548E-03 1634 0.170E-02 0.395E-03
RMM: 16 -0.107740333519E+04 -0.19300E-03 -0.20070E-03 1576 0.161E-02 0.497E-03
RMM: 17 -0.107740351775E+04 -0.18255E-03 -0.19039E-03 1603 0.168E-02 0.596E-03
RMM: 18 -0.107740369756E+04 -0.17981E-03 -0.18762E-03 1582 0.166E-02 0.681E-03
RMM: 19 -0.107740386684E+04 -0.16928E-03 -0.17681E-03 1542 0.158E-02 0.776E-03
RMM: 20 -0.107740403177E+04 -0.16493E-03 -0.17221E-03 1499 0.159E-02 0.866E-03
RMM: 21 -0.107740418921E+04 -0.15744E-03 -0.16560E-03 1547 0.173E-02 0.953E-03
RMM: 22 -0.107740434454E+04 -0.15533E-03 -0.16447E-03 1618 0.174E-02 0.104E-02
RMM: 23 -0.107740448960E+04 -0.14506E-03 -0.15237E-03 1465 0.150E-02 0.112E-02
RMM: 24 -0.107740463158E+04 -0.14198E-03 -0.15062E-03 1572 0.167E-02 0.120E-02
RMM: 25 -0.107740476665E+04 -0.13507E-03 -0.14290E-03 1551 0.165E-02 0.128E-02
RMM: 26 -0.107740489866E+04 -0.13201E-03 -0.13982E-03 1533 0.165E-02 0.136E-02
RMM: 27 -0.107740502306E+04 -0.12440E-03 -0.13218E-03 1518 0.162E-02 0.143E-02
RMM: 28 -0.107740514435E+04 -0.12129E-03 -0.12958E-03 1539 0.169E-02 0.151E-02
RMM: 29 -0.107740526110E+04 -0.11675E-03 -0.12510E-03 1592 0.171E-02 0.158E-02
RMM: 30 -0.107740537367E+04 -0.11257E-03 -0.12013E-03 1520 0.159E-02 0.165E-02
RMM: 31 -0.107740548062E+04 -0.10696E-03 -0.11441E-03 1522 0.157E-02 0.171E-02
RMM: 32 -0.107740558413E+04 -0.10350E-03 -0.11101E-03 1493 0.158E-02 0.178E-02
RMM: 33 -0.107740568242E+04 -0.98289E-04 -0.10654E-03 1502 0.164E-02 0.184E-02
RMM: 34 -0.107740577758E+04 -0.95168E-04 -0.10480E-03 1574 0.170E-02 0.191E-02
RMM: 35 -0.107740586825E+04 -0.90666E-04 -0.98175E-04 1481 0.160E-02
609 T= 729. E= -.10764904E+04 F= -.10774059E+04 E0= -.10773719E+04 EK= 0.14610E+02 SP= -.14E+02 SK= 0.35E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107733535457E+04 0.70423E-01 -0.10942E+00 3340 0.108E+00 0.294E-01
RMM: 2 -0.107734065170E+04 -0.52971E-02 -0.74909E-02 4106 0.306E-01 0.220E-01
RMM: 3 -0.107734163835E+04 -0.98665E-03 -0.16506E-02 4208 0.111E-01 0.151E-01
RMM: 4 -0.107734192128E+04 -0.28293E-03 -0.56229E-03 3664 0.507E-02 0.833E-02
RMM: 5 -0.107734195219E+04 -0.30916E-04 -0.25077E-03 2984 0.258E-02 0.378E-02
RMM: 6 -0.107734210922E+04 -0.15703E-03 -0.18578E-03 2229 0.160E-02 0.166E-02
RMM: 7 -0.107734226542E+04 -0.15620E-03 -0.16029E-03 2054 0.134E-02 0.718E-03
RMM: 8 -0.107734241012E+04 -0.14470E-03 -0.14795E-03 1924 0.996E-03 0.543E-03
RMM: 9 -0.107734254100E+04 -0.13088E-03 -0.13343E-03 1785 0.107E-02 0.306E-03
RMM: 10 -0.107734267138E+04 -0.13038E-03 -0.13690E-03 2082 0.156E-02 0.126E-03
RMM: 11 -0.107734279360E+04 -0.12223E-03 -0.12894E-03 1917 0.144E-02 0.137E-03
RMM: 12 -0.107734291158E+04 -0.11797E-03 -0.12470E-03 1932 0.137E-02 0.185E-03
RMM: 13 -0.107734302143E+04 -0.10986E-03 -0.11593E-03 1614 0.130E-02 0.282E-03
RMM: 14 -0.107734312769E+04 -0.10626E-03 -0.11279E-03 1487 0.143E-02 0.322E-03
RMM: 15 -0.107734322976E+04 -0.10207E-03 -0.11109E-03 1615 0.167E-02 0.367E-03
RMM: 16 -0.107734333137E+04 -0.10161E-03 -0.10950E-03 1608 0.158E-02 0.401E-03
RMM: 17 -0.107734342549E+04 -0.94122E-04 -0.10096E-03 1487 0.141E-02 0.442E-03
RMM: 18 -0.107734351670E+04 -0.91203E-04 -0.98496E-04 1490 0.151E-02
610 T= 735. E= -.10764728E+04 F= -.10773435E+04 E0= -.10773098E+04 EK= 0.14721E+02 SP= -.14E+02 SK= 0.29E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107733922673E+04 0.41988E-02 -0.12599E+00 3361 0.111E+00 0.363E-01
RMM: 2 -0.107734483737E+04 -0.56106E-02 -0.85766E-02 4105 0.315E-01 0.280E-01
RMM: 3 -0.107734556572E+04 -0.72835E-03 -0.19015E-02 4105 0.115E-01 0.155E-01
RMM: 4 -0.107734610991E+04 -0.54419E-03 -0.72687E-03 3712 0.558E-02 0.880E-02
RMM: 5 -0.107734605102E+04 0.58890E-04 -0.30734E-03 2942 0.261E-02 0.509E-02
RMM: 6 -0.107734625678E+04 -0.20576E-03 -0.24918E-03 2756 0.190E-02 0.162E-02
RMM: 7 -0.107734645349E+04 -0.19671E-03 -0.21075E-03 2046 0.127E-02 0.106E-02
RMM: 8 -0.107734663723E+04 -0.18374E-03 -0.19144E-03 2026 0.122E-02 0.767E-03
RMM: 9 -0.107734682715E+04 -0.18993E-03 -0.19346E-03 1980 0.114E-02 0.431E-03
RMM: 10 -0.107734700184E+04 -0.17468E-03 -0.17799E-03 1931 0.109E-02 0.192E-03
RMM: 11 -0.107734717551E+04 -0.17368E-03 -0.17839E-03 1959 0.119E-02 0.210E-03
RMM: 12 -0.107734733763E+04 -0.16212E-03 -0.16714E-03 1823 0.117E-02 0.265E-03
RMM: 13 -0.107734749652E+04 -0.15888E-03 -0.16423E-03 1590 0.125E-02 0.424E-03
RMM: 14 -0.107734764859E+04 -0.15207E-03 -0.15950E-03 1639 0.152E-02 0.375E-03
RMM: 15 -0.107734779963E+04 -0.15104E-03 -0.15863E-03 1690 0.154E-02 0.333E-03
RMM: 16 -0.107734794445E+04 -0.14482E-03 -0.15178E-03 1641 0.149E-02 0.336E-03
RMM: 17 -0.107734808684E+04 -0.14240E-03 -0.14979E-03 1628 0.150E-02 0.371E-03
RMM: 18 -0.107734822531E+04 -0.13847E-03 -0.14550E-03 1544 0.143E-02 0.456E-03
RMM: 19 -0.107734835666E+04 -0.13135E-03 -0.13812E-03 1455 0.138E-02 0.537E-03
RMM: 20 -0.107734848537E+04 -0.12871E-03 -0.13616E-03 1511 0.158E-02 0.609E-03
RMM: 21 -0.107734861390E+04 -0.12853E-03 -0.13689E-03 1588 0.166E-02 0.676E-03
RMM: 22 -0.107734873509E+04 -0.12119E-03 -0.12836E-03 1482 0.146E-02 0.756E-03
RMM: 23 -0.107734885388E+04 -0.11879E-03 -0.12667E-03 1541 0.160E-02 0.836E-03
RMM: 24 -0.107734897042E+04 -0.11654E-03 -0.12461E-03 1532 0.167E-02 0.912E-03
RMM: 25 -0.107734908511E+04 -0.11469E-03 -0.12279E-03 1569 0.165E-02 0.985E-03
RMM: 26 -0.107734919507E+04 -0.10996E-03 -0.11671E-03 1477 0.151E-02 0.106E-02
RMM: 27 -0.107734930316E+04 -0.10809E-03 -0.11593E-03 1562 0.166E-02 0.114E-02
RMM: 28 -0.107734940808E+04 -0.10492E-03 -0.11267E-03 1506 0.158E-02 0.121E-02
RMM: 29 -0.107734951081E+04 -0.10273E-03 -0.11022E-03 1484 0.159E-02 0.129E-02
RMM: 30 -0.107734961081E+04 -0.99995E-04 -0.10833E-03 1505 0.163E-02 0.136E-02
RMM: 31 -0.107734970900E+04 -0.98189E-04 -0.10609E-03 1559 0.162E-02 0.143E-02
RMM: 32 -0.107734980302E+04 -0.94026E-04 -0.10087E-03 1449 0.154E-02 0.150E-02
RMM: 33 -0.107734989800E+04 -0.94977E-04 -0.10318E-03 1563 0.168E-02 0.157E-02
RMM: 34 -0.107734998917E+04 -0.91172E-04 -0.98301E-04 1481 0.152E-02
611 T= 743. E= -.10764597E+04 F= -.10773500E+04 E0= -.10773178E+04 EK= 0.14880E+02 SP= -.14E+02 SK= 0.22E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107758233293E+04 -0.23243E+00 -0.12205E+00 3373 0.108E+00 0.364E-01
RMM: 2 -0.107758782512E+04 -0.54922E-02 -0.80666E-02 4085 0.296E-01 0.278E-01
RMM: 3 -0.107758871668E+04 -0.89155E-03 -0.17991E-02 4051 0.111E-01 0.156E-01
RMM: 4 -0.107758921045E+04 -0.49377E-03 -0.61714E-03 3580 0.529E-02 0.875E-02
RMM: 5 -0.107758906060E+04 0.14985E-03 -0.23674E-03 2910 0.258E-02 0.456E-02
RMM: 6 -0.107758919749E+04 -0.13689E-03 -0.17221E-03 2625 0.173E-02 0.148E-02
RMM: 7 -0.107758933257E+04 -0.13508E-03 -0.14477E-03 2019 0.118E-02 0.939E-03
RMM: 8 -0.107758946091E+04 -0.12834E-03 -0.13374E-03 2010 0.119E-02 0.646E-03
RMM: 9 -0.107758959585E+04 -0.13494E-03 -0.13794E-03 2013 0.123E-02 0.325E-03
RMM: 10 -0.107758972532E+04 -0.12947E-03 -0.13300E-03 1992 0.121E-02 0.185E-03
RMM: 11 -0.107758985087E+04 -0.12555E-03 -0.12885E-03 1836 0.104E-02 0.182E-03
RMM: 12 -0.107758997193E+04 -0.12106E-03 -0.12557E-03 1840 0.118E-02 0.222E-03
RMM: 13 -0.107759009061E+04 -0.11868E-03 -0.12402E-03 1546 0.134E-02 0.344E-03
RMM: 14 -0.107759021097E+04 -0.12037E-03 -0.12858E-03 1724 0.171E-02 0.327E-03
RMM: 15 -0.107759032959E+04 -0.11862E-03 -0.12620E-03 1655 0.154E-02 0.316E-03
RMM: 16 -0.107759044591E+04 -0.11632E-03 -0.12286E-03 1695 0.151E-02 0.273E-03
RMM: 17 -0.107759056149E+04 -0.11557E-03 -0.12269E-03 1675 0.158E-02 0.241E-03
RMM: 18 -0.107759067707E+04 -0.11558E-03 -0.12345E-03 1626 0.162E-02 0.269E-03
RMM: 19 -0.107759078837E+04 -0.11130E-03 -0.11750E-03 1465 0.138E-02 0.344E-03
RMM: 20 -0.107759089848E+04 -0.11011E-03 -0.11628E-03 1508 0.151E-02 0.419E-03
RMM: 21 -0.107759100854E+04 -0.11006E-03 -0.11715E-03 1543 0.163E-02 0.498E-03
RMM: 22 -0.107759111788E+04 -0.10934E-03 -0.11709E-03 1536 0.160E-02 0.578E-03
RMM: 23 -0.107759122356E+04 -0.10568E-03 -0.11232E-03 1458 0.150E-02 0.666E-03
RMM: 24 -0.107759133065E+04 -0.10709E-03 -0.11503E-03 1584 0.169E-02 0.743E-03
RMM: 25 -0.107759143678E+04 -0.10614E-03 -0.11378E-03 1541 0.164E-02 0.827E-03
RMM: 26 -0.107759154009E+04 -0.10331E-03 -0.11091E-03 1516 0.157E-02 0.905E-03
RMM: 27 -0.107759164392E+04 -0.10383E-03 -0.11160E-03 1578 0.168E-02 0.983E-03
RMM: 28 -0.107759174597E+04 -0.10205E-03 -0.10991E-03 1517 0.164E-02 0.106E-02
RMM: 29 -0.107759184748E+04 -0.10151E-03 -0.11032E-03 1520 0.166E-02 0.114E-02
RMM: 30 -0.107759194615E+04 -0.98675E-04 -0.10782E-03 1497 0.165E-02 0.121E-02
RMM: 31 -0.107759204586E+04 -0.99711E-04 -0.10741E-03 1543 0.166E-02 0.128E-02
RMM: 32 -0.107759214340E+04 -0.97532E-04 -0.10503E-03 1489 0.158E-02 0.136E-02
RMM: 33 -0.107759223952E+04 -0.96120E-04 -0.10356E-03 1513 0.160E-02 0.143E-02
RMM: 34 -0.107759233607E+04 -0.96559E-04 -0.10472E-03 1550 0.166E-02 0.151E-02
RMM: 35 -0.107759243000E+04 -0.93925E-04 -0.10151E-03 1506 0.156E-02 0.158E-02
RMM: 36 -0.107759252288E+04 -0.92877E-04 -0.99922E-04 1457 0.157E-02
612 T= 760. E= -.10764832E+04 F= -.10775925E+04 E0= -.10775607E+04 EK= 0.15220E+02 SP= -.14E+02 SK= 0.14E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107775526038E+04 -0.16283E+00 -0.11468E+00 3357 0.106E+00 0.326E-01
RMM: 2 -0.107776125887E+04 -0.59985E-02 -0.79260E-02 4096 0.293E-01 0.254E-01
RMM: 3 -0.107776237512E+04 -0.11162E-02 -0.17729E-02 4010 0.108E-01 0.192E-01
RMM: 4 -0.107776252957E+04 -0.15445E-03 -0.63914E-03 3547 0.514E-02 0.970E-02
RMM: 5 -0.107776263829E+04 -0.10872E-03 -0.30080E-03 3082 0.272E-02 0.397E-02
RMM: 6 -0.107776282739E+04 -0.18910E-03 -0.21735E-03 2233 0.158E-02 0.242E-02
RMM: 7 -0.107776299863E+04 -0.17124E-03 -0.19478E-03 2140 0.131E-02 0.103E-02
RMM: 8 -0.107776317939E+04 -0.18076E-03 -0.18538E-03 2020 0.118E-02 0.474E-03
RMM: 9 -0.107776335560E+04 -0.17620E-03 -0.17961E-03 1946 0.118E-02 0.236E-03
RMM: 10 -0.107776352944E+04 -0.17385E-03 -0.17890E-03 1964 0.130E-02 0.185E-03
RMM: 11 -0.107776369335E+04 -0.16391E-03 -0.16852E-03 1886 0.113E-02 0.153E-03
RMM: 12 -0.107776385210E+04 -0.15876E-03 -0.16392E-03 1748 0.128E-02 0.200E-03
RMM: 13 -0.107776401066E+04 -0.15856E-03 -0.16608E-03 1664 0.154E-02 0.308E-03
RMM: 14 -0.107776416351E+04 -0.15285E-03 -0.15982E-03 1557 0.145E-02 0.355E-03
RMM: 15 -0.107776431430E+04 -0.15079E-03 -0.15794E-03 1581 0.154E-02 0.457E-03
RMM: 16 -0.107776446189E+04 -0.14758E-03 -0.15456E-03 1547 0.152E-02 0.503E-03
RMM: 17 -0.107776460556E+04 -0.14367E-03 -0.15104E-03 1535 0.153E-02 0.566E-03
RMM: 18 -0.107776474640E+04 -0.14084E-03 -0.14869E-03 1534 0.165E-02 0.642E-03
RMM: 19 -0.107776488642E+04 -0.14002E-03 -0.14812E-03 1579 0.165E-02 0.720E-03
RMM: 20 -0.107776502137E+04 -0.13495E-03 -0.14163E-03 1452 0.145E-02 0.798E-03
RMM: 21 -0.107776515295E+04 -0.13157E-03 -0.13926E-03 1533 0.160E-02 0.867E-03
RMM: 22 -0.107776528302E+04 -0.13007E-03 -0.13772E-03 1536 0.164E-02 0.948E-03
RMM: 23 -0.107776541164E+04 -0.12863E-03 -0.13661E-03 1553 0.164E-02 0.103E-02
RMM: 24 -0.107776553493E+04 -0.12329E-03 -0.13013E-03 1468 0.149E-02 0.111E-02
RMM: 25 -0.107776565764E+04 -0.12271E-03 -0.13043E-03 1544 0.165E-02 0.118E-02
RMM: 26 -0.107776577661E+04 -0.11897E-03 -0.12628E-03 1489 0.157E-02 0.126E-02
RMM: 27 -0.107776589394E+04 -0.11732E-03 -0.12558E-03 1543 0.160E-02 0.133E-02
RMM: 28 -0.107776600721E+04 -0.11327E-03 -0.12056E-03 1466 0.155E-02 0.140E-02
RMM: 29 -0.107776611827E+04 -0.11106E-03 -0.11861E-03 1499 0.162E-02 0.148E-02
RMM: 30 -0.107776622867E+04 -0.11040E-03 -0.11821E-03 1524 0.165E-02 0.155E-02
RMM: 31 -0.107776633509E+04 -0.10642E-03 -0.11336E-03 1473 0.150E-02 0.162E-02
RMM: 32 -0.107776643847E+04 -0.10338E-03 -0.11033E-03 1475 0.152E-02 0.169E-02
RMM: 33 -0.107776654043E+04 -0.10195E-03 -0.10934E-03 1516 0.158E-02 0.175E-02
RMM: 34 -0.107776663893E+04 -0.98498E-04 -0.10542E-03 1458 0.152E-02 0.182E-02
RMM: 35 -0.107776673475E+04 -0.95819E-04 -0.10285E-03 1447 0.156E-02 0.189E-02
RMM: 36 -0.107776683060E+04 -0.95855E-04 -0.10436E-03 1553 0.167E-02 0.195E-02
RMM: 37 -0.107776692116E+04 -0.90559E-04 -0.97153E-04 1414 0.145E-02
613 T= 772. E= -.10765109E+04 F= -.10777669E+04 E0= -.10777328E+04 EK= 0.15460E+02 SP= -.14E+02 SK= 0.68E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107753761412E+04 0.22922E+00 -0.13529E+00 3343 0.115E+00 0.366E-01
RMM: 2 -0.107754369271E+04 -0.60786E-02 -0.90796E-02 4128 0.318E-01 0.283E-01
RMM: 3 -0.107754461390E+04 -0.92119E-03 -0.19965E-02 4158 0.116E-01 0.191E-01
RMM: 4 -0.107754487028E+04 -0.25638E-03 -0.71828E-03 3616 0.561E-02 0.978E-02
RMM: 5 -0.107754477823E+04 0.92051E-04 -0.26303E-03 3131 0.287E-02 0.485E-02
RMM: 6 -0.107754489401E+04 -0.11577E-03 -0.17017E-03 2550 0.169E-02 0.276E-02
RMM: 7 -0.107754502459E+04 -0.13058E-03 -0.14915E-03 2205 0.134E-02 0.121E-02
RMM: 8 -0.107754514461E+04 -0.12002E-03 -0.12883E-03 1957 0.103E-02 0.655E-03
RMM: 9 -0.107754526414E+04 -0.11953E-03 -0.12349E-03 1892 0.116E-02 0.415E-03
RMM: 10 -0.107754538765E+04 -0.12351E-03 -0.13165E-03 2217 0.165E-02 0.208E-03
RMM: 11 -0.107754549929E+04 -0.11164E-03 -0.11635E-03 1850 0.107E-02 0.186E-03
RMM: 12 -0.107754560535E+04 -0.10606E-03 -0.11241E-03 1810 0.131E-02 0.242E-03
RMM: 13 -0.107754570819E+04 -0.10284E-03 -0.10996E-03 1609 0.155E-02 0.309E-03
RMM: 14 -0.107754581508E+04 -0.10689E-03 -0.11646E-03 1769 0.183E-02 0.371E-03
RMM: 15 -0.107754591516E+04 -0.10008E-03 -0.10690E-03 1529 0.136E-02 0.436E-03
RMM: 16 -0.107754601211E+04 -0.96957E-04 -0.10503E-03 1564 0.143E-02 0.504E-03
RMM: 17 -0.107754610243E+04 -0.90320E-04 -0.99274E-04 1506 0.141E-02
614 T= 764. E= -.10764937E+04 F= -.10775461E+04 E0= -.10775115E+04 EK= 0.15313E+02 SP= -.14E+02 SK= 0.19E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107709629885E+04 0.44971E+00 -0.14053E+00 3323 0.118E+00 0.382E-01
RMM: 2 -0.107710227691E+04 -0.59781E-02 -0.94550E-02 4150 0.333E-01 0.291E-01
RMM: 3 -0.107710313990E+04 -0.86299E-03 -0.20678E-02 4212 0.120E-01 0.204E-01
RMM: 4 -0.107710310827E+04 0.31630E-04 -0.73958E-03 3622 0.588E-02 0.963E-02
RMM: 5 -0.107710312825E+04 -0.19984E-04 -0.26033E-03 3183 0.280E-02 0.531E-02
RMM: 6 -0.107710328223E+04 -0.15398E-03 -0.18882E-03 2559 0.175E-02 0.282E-02
RMM: 7 -0.107710340257E+04 -0.12034E-03 -0.15271E-03 2131 0.130E-02 0.105E-02
RMM: 8 -0.107710354641E+04 -0.14384E-03 -0.14977E-03 2086 0.121E-02 0.722E-03
RMM: 9 -0.107710368179E+04 -0.13538E-03 -0.13786E-03 1985 0.117E-02 0.403E-03
RMM: 10 -0.107710382555E+04 -0.14376E-03 -0.15011E-03 2151 0.149E-02 0.240E-03
RMM: 11 -0.107710395568E+04 -0.13013E-03 -0.13362E-03 1869 0.102E-02 0.226E-03
RMM: 12 -0.107710408493E+04 -0.12925E-03 -0.13375E-03 1816 0.120E-02 0.272E-03
RMM: 13 -0.107710421037E+04 -0.12544E-03 -0.13235E-03 1654 0.153E-02 0.406E-03
RMM: 14 -0.107710434270E+04 -0.13232E-03 -0.14075E-03 1744 0.172E-02 0.436E-03
RMM: 15 -0.107710446847E+04 -0.12578E-03 -0.13223E-03 1552 0.144E-02 0.483E-03
RMM: 16 -0.107710459559E+04 -0.12712E-03 -0.13358E-03 1566 0.150E-02 0.589E-03
RMM: 17 -0.107710471764E+04 -0.12204E-03 -0.12918E-03 1563 0.156E-02 0.664E-03
RMM: 18 -0.107710484396E+04 -0.12632E-03 -0.13372E-03 1567 0.165E-02 0.762E-03
RMM: 19 -0.107710496640E+04 -0.12244E-03 -0.13063E-03 1564 0.162E-02 0.852E-03
RMM: 20 -0.107710508797E+04 -0.12158E-03 -0.12866E-03 1564 0.157E-02 0.935E-03
RMM: 21 -0.107710520808E+04 -0.12011E-03 -0.12840E-03 1664 0.167E-02 0.978E-03
RMM: 22 -0.107710532950E+04 -0.12142E-03 -0.13196E-03 1946 0.165E-02 0.920E-03
RMM: 23 -0.107710544815E+04 -0.11865E-03 -0.12615E-03 1547 0.145E-02 0.944E-03
RMM: 24 -0.107710556885E+04 -0.12070E-03 -0.12789E-03 1575 0.148E-02 0.103E-02
RMM: 25 -0.107710568571E+04 -0.11686E-03 -0.12345E-03 1496 0.138E-02 0.111E-02
RMM: 26 -0.107710580165E+04 -0.11594E-03 -0.12286E-03 1476 0.147E-02 0.119E-02
RMM: 27 -0.107710591865E+04 -0.11700E-03 -0.12487E-03 1572 0.161E-02 0.128E-02
RMM: 28 -0.107710603293E+04 -0.11428E-03 -0.12143E-03 1469 0.148E-02 0.137E-02
RMM: 29 -0.107710614600E+04 -0.11307E-03 -0.12019E-03 1503 0.157E-02 0.146E-02
RMM: 30 -0.107710625960E+04 -0.11359E-03 -0.12156E-03 1540 0.167E-02 0.154E-02
RMM: 31 -0.107710637259E+04 -0.11299E-03 -0.12085E-03 1540 0.162E-02 0.163E-02
RMM: 32 -0.107710648350E+04 -0.11092E-03 -0.11767E-03 1445 0.151E-02 0.172E-02
RMM: 33 -0.107710659422E+04 -0.11072E-03 -0.11875E-03 1530 0.162E-02 0.180E-02
RMM: 34 -0.107710670319E+04 -0.10897E-03 -0.11563E-03 1459 0.148E-02 0.188E-02
RMM: 35 -0.107710681019E+04 -0.10700E-03 -0.11424E-03 1483 0.154E-02 0.196E-02
RMM: 36 -0.107710691745E+04 -0.10726E-03 -0.11420E-03 1483 0.156E-02 0.205E-02
RMM: 37 -0.107710702186E+04 -0.10441E-03 -0.11187E-03 1488 0.157E-02 0.213E-02
RMM: 38 -0.107710712573E+04 -0.10387E-03 -0.11110E-03 1450 0.159E-02 0.221E-02
RMM: 39 -0.107710722955E+04 -0.10383E-03 -0.11157E-03 1519 0.164E-02 0.229E-02
RMM: 40 -0.107710733178E+04 -0.10223E-03 -0.10973E-03 1470 0.153E-02 0.237E-02
RMM: 41 -0.107710743146E+04 -0.99675E-04 -0.10711E-03 1431 0.151E-02 0.245E-02
RMM: 42 -0.107710753048E+04 -0.99018E-04 -0.10763E-03 1516 0.163E-02 0.253E-02
RMM: 43 -0.107710762901E+04 -0.98530E-04 -0.10600E-03 1465 0.157E-02 0.261E-02
RMM: 44 -0.107710772579E+04 -0.96781E-04 -0.10499E-03 1465 0.158E-02 0.269E-02
RMM: 45 -0.107710782232E+04 -0.96526E-04 -0.10328E-03 1472 0.158E-02 0.277E-02
RMM: 46 -0.107710791774E+04 -0.95424E-04 -0.10280E-03 1468 0.160E-02 0.285E-02
RMM: 47 -0.107710801262E+04 -0.94879E-04 -0.10229E-03 1453 0.154E-02 0.292E-02
RMM: 48 -0.107710810528E+04 -0.92662E-04 -0.98989E-04 1422 0.147E-02
615 T= 745. E= -.10764736E+04 F= -.10771081E+04 E0= -.10770751E+04 EK= 0.14918E+02 SP= -.14E+02 SK= 0.18E-03
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107667544247E+04 0.43257E+00 -0.10868E+00 3351 0.107E+00 0.296E-01
RMM: 2 -0.107668033510E+04 -0.48926E-02 -0.77926E-02 4184 0.311E-01 0.211E-01
RMM: 3 -0.107668129533E+04 -0.96023E-03 -0.15766E-02 4231 0.112E-01 0.166E-01
RMM: 4 -0.107668139393E+04 -0.98607E-04 -0.49645E-03 3709 0.496E-02 0.963E-02
RMM: 5 -0.107668150184E+04 -0.10790E-03 -0.23293E-03 3165 0.284E-02 0.323E-02
RMM: 6 -0.107668161109E+04 -0.10925E-03 -0.13594E-03 2298 0.160E-02 0.189E-02
RMM: 7 -0.107668172612E+04 -0.11503E-03 -0.12003E-03 2056 0.116E-02 0.732E-03
RMM: 8 -0.107668183494E+04 -0.10882E-03 -0.10743E-03 1987 0.990E-03 0.513E-03
RMM: 9 -0.107668193726E+04 -0.10232E-03 -0.10293E-03 1866 0.103E-02 0.350E-03
RMM: 10 -0.107668204291E+04 -0.10565E-03 -0.10733E-03 2063 0.141E-02 0.193E-03
RMM: 11 -0.107668214332E+04 -0.10041E-03 -0.10326E-03 1971 0.129E-02 0.152E-03
RMM: 12 -0.107668224099E+04 -0.97668E-04 -0.10176E-03 1856 0.133E-02 0.136E-03
RMM: 13 -0.107668233612E+04 -0.95129E-04 -0.98737E-04 1649 0.139E-02
616 T= 724. E= -.10764645E+04 F= -.10766823E+04 E0= -.10766508E+04 EK= 0.14503E+02 SP= -.14E+02 SK= 0.27E-04
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107638543726E+04 0.29680E+00 -0.12002E+00 3330 0.111E+00 0.324E-01
RMM: 2 -0.107639113026E+04 -0.56930E-02 -0.81562E-02 4147 0.310E-01 0.241E-01
RMM: 3 -0.107639234751E+04 -0.12172E-02 -0.18057E-02 4168 0.111E-01 0.170E-01
RMM: 4 -0.107639262149E+04 -0.27398E-03 -0.56873E-03 3604 0.513E-02 0.691E-02
RMM: 5 -0.107639275289E+04 -0.13140E-03 -0.28565E-03 3018 0.269E-02 0.373E-02
RMM: 6 -0.107639286628E+04 -0.11339E-03 -0.18275E-03 2241 0.162E-02 0.217E-02
RMM: 7 -0.107639304042E+04 -0.17414E-03 -0.18937E-03 2333 0.153E-02 0.754E-03
RMM: 8 -0.107639320009E+04 -0.15967E-03 -0.16238E-03 1938 0.102E-02 0.570E-03
RMM: 9 -0.107639335808E+04 -0.15799E-03 -0.16037E-03 1815 0.107E-02 0.458E-03
RMM: 10 -0.107639351615E+04 -0.15807E-03 -0.16477E-03 2240 0.164E-02 0.335E-03
RMM: 11 -0.107639367178E+04 -0.15563E-03 -0.16017E-03 1888 0.119E-02 0.252E-03
RMM: 12 -0.107639382196E+04 -0.15019E-03 -0.15552E-03 1894 0.127E-02 0.267E-03
RMM: 13 -0.107639397080E+04 -0.14884E-03 -0.15402E-03 1630 0.128E-02 0.424E-03
RMM: 14 -0.107639411701E+04 -0.14621E-03 -0.15228E-03 1668 0.148E-02 0.351E-03
RMM: 15 -0.107639426423E+04 -0.14721E-03 -0.15426E-03 1696 0.156E-02 0.313E-03
RMM: 16 -0.107639440826E+04 -0.14403E-03 -0.15210E-03 1647 0.159E-02 0.350E-03
RMM: 17 -0.107639454963E+04 -0.14137E-03 -0.14871E-03 1600 0.149E-02 0.420E-03
RMM: 18 -0.107639468764E+04 -0.13801E-03 -0.14427E-03 1510 0.149E-02 0.511E-03
RMM: 19 -0.107639482590E+04 -0.13826E-03 -0.14543E-03 1546 0.161E-02 0.591E-03
RMM: 20 -0.107639496190E+04 -0.13599E-03 -0.14344E-03 1539 0.161E-02 0.678E-03
RMM: 21 -0.107639509707E+04 -0.13517E-03 -0.14287E-03 1548 0.159E-02 0.760E-03
RMM: 22 -0.107639522670E+04 -0.12963E-03 -0.13698E-03 1518 0.153E-02 0.852E-03
RMM: 23 -0.107639535809E+04 -0.13138E-03 -0.13931E-03 1543 0.161E-02 0.937E-03
RMM: 24 -0.107639548645E+04 -0.12836E-03 -0.13672E-03 1507 0.156E-02 0.102E-02
RMM: 25 -0.107639561011E+04 -0.12366E-03 -0.13383E-03 1510 0.161E-02 0.110E-02
RMM: 26 -0.107639573321E+04 -0.12310E-03 -0.13049E-03 1511 0.160E-02 0.119E-02
RMM: 27 -0.107639585543E+04 -0.12222E-03 -0.12937E-03 1516 0.158E-02 0.127E-02
RMM: 28 -0.107639597493E+04 -0.11950E-03 -0.12675E-03 1503 0.158E-02 0.135E-02
RMM: 29 -0.107639609228E+04 -0.11735E-03 -0.12447E-03 1472 0.159E-02 0.142E-02
RMM: 30 -0.107639620712E+04 -0.11484E-03 -0.12213E-03 1502 0.161E-02 0.150E-02
RMM: 31 -0.107639632111E+04 -0.11399E-03 -0.12147E-03 1515 0.163E-02 0.157E-02
RMM: 32 -0.107639643101E+04 -0.10990E-03 -0.11664E-03 1445 0.151E-02 0.165E-02
RMM: 33 -0.107639653977E+04 -0.10876E-03 -0.11622E-03 1480 0.160E-02 0.172E-02
RMM: 34 -0.107639664572E+04 -0.10595E-03 -0.11331E-03 1462 0.163E-02 0.180E-02
RMM: 35 -0.107639675043E+04 -0.10470E-03 -0.11216E-03 1486 0.163E-02 0.187E-02
RMM: 36 -0.107639685239E+04 -0.10196E-03 -0.10894E-03 1442 0.158E-02 0.194E-02
RMM: 37 -0.107639695316E+04 -0.10077E-03 -0.10803E-03 1478 0.159E-02 0.201E-02
RMM: 38 -0.107639705109E+04 -0.97924E-04 -0.10512E-03 1441 0.155E-02 0.207E-02
RMM: 39 -0.107639714667E+04 -0.95583E-04 -0.10296E-03 1443 0.156E-02 0.214E-02
RMM: 40 -0.107639724043E+04 -0.93764E-04 -0.10145E-03 1487 0.160E-02 0.220E-02
RMM: 41 -0.107639733226E+04 -0.91826E-04 -0.99556E-04 1446 0.154E-02
617 T= 710. E= -.10764493E+04 F= -.10763973E+04 E0= -.10763646E+04 EK= 0.14223E+02 SP= -.14E+02 SK= 0.18E-03
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107645663926E+04 -0.59399E-01 -0.11315E+00 3345 0.106E+00 0.326E-01
RMM: 2 -0.107646188775E+04 -0.52485E-02 -0.76306E-02 4151 0.295E-01 0.248E-01
RMM: 3 -0.107646295808E+04 -0.10703E-02 -0.17728E-02 4195 0.108E-01 0.201E-01
RMM: 4 -0.107646282510E+04 0.13298E-03 -0.51800E-03 3588 0.488E-02 0.101E-01
RMM: 5 -0.107646292407E+04 -0.98966E-04 -0.23148E-03 3056 0.265E-02 0.380E-02
RMM: 6 -0.107646304593E+04 -0.12186E-03 -0.15183E-03 2326 0.156E-02 0.238E-02
RMM: 7 -0.107646315380E+04 -0.10788E-03 -0.12765E-03 2081 0.121E-02 0.115E-02
RMM: 8 -0.107646326994E+04 -0.11613E-03 -0.12049E-03 2081 0.119E-02 0.504E-03
RMM: 9 -0.107646338129E+04 -0.11135E-03 -0.11402E-03 1862 0.107E-02 0.339E-03
RMM: 10 -0.107646348992E+04 -0.10864E-03 -0.11239E-03 1955 0.121E-02 0.164E-03
RMM: 11 -0.107646358933E+04 -0.99402E-04 -0.10363E-03 1827 0.108E-02 0.123E-03
RMM: 12 -0.107646368295E+04 -0.93619E-04 -0.10031E-03 1790 0.128E-02 0.139E-03
RMM: 13 -0.107646377446E+04 -0.91517E-04 -0.98924E-04 1640 0.143E-02
618 T= 712. E= -.10764515E+04 F= -.10764638E+04 E0= -.10764300E+04 EK= 0.14274E+02 SP= -.14E+02 SK= 0.33E-03
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107681890296E+04 -0.35522E+00 -0.89677E-01 3392 0.964E-01 0.278E-01
RMM: 2 -0.107682269983E+04 -0.37969E-02 -0.60566E-02 4129 0.266E-01 0.202E-01
RMM: 3 -0.107682376076E+04 -0.10609E-02 -0.15322E-02 4174 0.983E-02 0.152E-01
RMM: 4 -0.107682391238E+04 -0.15162E-03 -0.50089E-03 3553 0.439E-02 0.897E-02
RMM: 5 -0.107682400768E+04 -0.95297E-04 -0.25803E-03 3043 0.254E-02 0.296E-02
RMM: 6 -0.107682419730E+04 -0.18962E-03 -0.19934E-03 2254 0.152E-02 0.150E-02
RMM: 7 -0.107682436857E+04 -0.17128E-03 -0.17705E-03 2058 0.112E-02 0.827E-03
RMM: 8 -0.107682453567E+04 -0.16710E-03 -0.16784E-03 1969 0.986E-03 0.461E-03
RMM: 9 -0.107682469176E+04 -0.15609E-03 -0.15831E-03 1861 0.105E-02 0.307E-03
RMM: 10 -0.107682485185E+04 -0.16009E-03 -0.16673E-03 2107 0.149E-02 0.234E-03
RMM: 11 -0.107682500155E+04 -0.14970E-03 -0.15308E-03 1795 0.105E-02 0.171E-03
RMM: 12 -0.107682515287E+04 -0.15132E-03 -0.15583E-03 1902 0.125E-02 0.114E-03
RMM: 13 -0.107682529785E+04 -0.14497E-03 -0.14919E-03 1582 0.115E-02 0.133E-03
RMM: 14 -0.107682544092E+04 -0.14308E-03 -0.14874E-03 1480 0.122E-02 0.199E-03
RMM: 15 -0.107682557970E+04 -0.13877E-03 -0.14450E-03 1444 0.130E-02 0.321E-03
RMM: 16 -0.107682571922E+04 -0.13952E-03 -0.14746E-03 1570 0.156E-02 0.390E-03
RMM: 17 -0.107682585540E+04 -0.13618E-03 -0.14282E-03 1480 0.142E-02 0.484E-03
RMM: 18 -0.107682599148E+04 -0.13608E-03 -0.14243E-03 1476 0.152E-02 0.570E-03
RMM: 19 -0.107682612599E+04 -0.13451E-03 -0.14182E-03 1468 0.160E-02 0.657E-03
RMM: 20 -0.107682626077E+04 -0.13479E-03 -0.14210E-03 1508 0.161E-02 0.747E-03
RMM: 21 -0.107682639348E+04 -0.13270E-03 -0.13965E-03 1474 0.157E-02 0.839E-03
RMM: 22 -0.107682652667E+04 -0.13320E-03 -0.14044E-03 1534 0.164E-02 0.932E-03
RMM: 23 -0.107682665912E+04 -0.13245E-03 -0.13911E-03 1463 0.158E-02 0.102E-02
RMM: 24 -0.107682678998E+04 -0.13086E-03 -0.13786E-03 1471 0.156E-02 0.111E-02
RMM: 25 -0.107682691948E+04 -0.12950E-03 -0.13653E-03 1474 0.158E-02 0.120E-02
RMM: 26 -0.107682704891E+04 -0.12943E-03 -0.13704E-03 1496 0.162E-02 0.128E-02
RMM: 27 -0.107682717612E+04 -0.12722E-03 -0.13407E-03 1460 0.156E-02 0.137E-02
RMM: 28 -0.107682730387E+04 -0.12774E-03 -0.13523E-03 1515 0.164E-02 0.146E-02
RMM: 29 -0.107682743050E+04 -0.12663E-03 -0.13336E-03 1476 0.154E-02 0.154E-02
RMM: 30 -0.107682755440E+04 -0.12390E-03 -0.13040E-03 1426 0.147E-02 0.163E-02
RMM: 31 -0.107682767796E+04 -0.12356E-03 -0.13039E-03 1459 0.155E-02 0.171E-02
RMM: 32 -0.107682780054E+04 -0.12259E-03 -0.12938E-03 1456 0.155E-02 0.180E-02
RMM: 33 -0.107682792215E+04 -0.12161E-03 -0.12895E-03 1444 0.156E-02 0.188E-02
RMM: 34 -0.107682804154E+04 -0.11939E-03 -0.12652E-03 1448 0.155E-02 0.196E-02
RMM: 35 -0.107682816067E+04 -0.11913E-03 -0.12621E-03 1482 0.157E-02 0.205E-02
RMM: 36 -0.107682827945E+04 -0.11878E-03 -0.12600E-03 1463 0.158E-02 0.213E-02
RMM: 37 -0.107682839600E+04 -0.11654E-03 -0.12391E-03 1446 0.155E-02 0.221E-02
RMM: 38 -0.107682851228E+04 -0.11628E-03 -0.12371E-03 1465 0.157E-02 0.229E-02
RMM: 39 -0.107682862687E+04 -0.11459E-03 -0.12144E-03 1448 0.153E-02 0.237E-02
RMM: 40 -0.107682874034E+04 -0.11348E-03 -0.12072E-03 1451 0.154E-02 0.245E-02
RMM: 41 -0.107682885267E+04 -0.11233E-03 -0.11906E-03 1432 0.153E-02 0.253E-02
RMM: 42 -0.107682896395E+04 -0.11128E-03 -0.11828E-03 1453 0.154E-02 0.261E-02
RMM: 43 -0.107682907424E+04 -0.11030E-03 -0.11736E-03 1455 0.154E-02 0.268E-02
RMM: 44 -0.107682918320E+04 -0.10895E-03 -0.11568E-03 1424 0.151E-02 0.276E-02
RMM: 45 -0.107682929030E+04 -0.10710E-03 -0.11433E-03 1417 0.154E-02 0.284E-02
RMM: 46 -0.107682939803E+04 -0.10773E-03 -0.11551E-03 1452 0.162E-02 0.291E-02
RMM: 47 -0.107682950391E+04 -0.10588E-03 -0.11347E-03 1441 0.156E-02 0.299E-02
RMM: 48 -0.107682960819E+04 -0.10428E-03 -0.11166E-03 1434 0.152E-02 0.306E-02
RMM: 49 -0.107682971191E+04 -0.10371E-03 -0.11097E-03 1422 0.151E-02 0.313E-02
RMM: 50 -0.107682981342E+04 -0.10151E-03 -0.10866E-03 1404 0.150E-02 0.320E-02
RMM: 51 -0.107682991405E+04 -0.10063E-03 -0.10880E-03 1442 0.158E-02 0.327E-02
RMM: 52 -0.107683001575E+04 -0.10170E-03 -0.10907E-03 1450 0.158E-02 0.335E-02
RMM: 53 -0.107683011489E+04 -0.99133E-04 -0.10659E-03 1418 0.148E-02 0.342E-02
RMM: 54 -0.107683021086E+04 -0.95974E-04 -0.10426E-03 1424 0.150E-02 0.348E-02
RMM: 55 -0.107683030765E+04 -0.96795E-04 -0.10498E-03 1498 0.154E-02 0.353E-02
RMM: 56 -0.107683040173E+04 -0.94074E-04 -0.10215E-03 1452 0.145E-02 0.358E-02
RMM: 57 -0.107683049596E+04 -0.94231E-04 -0.10078E-03 1415 0.145E-02 0.365E-02
RMM: 58 -0.107683058798E+04 -0.92023E-04 -0.99876E-04 1433 0.148E-02
619 T= 728. E= -.10764823E+04 F= -.10768306E+04 E0= -.10767971E+04 EK= 0.14592E+02 SP= -.14E+02 SK= 0.82E-03
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107707639030E+04 -0.24589E+00 -0.10093E+00 3360 0.102E+00 0.300E-01
RMM: 2 -0.107708067007E+04 -0.42798E-02 -0.69370E-02 4145 0.278E-01 0.217E-01
RMM: 3 -0.107708177120E+04 -0.11011E-02 -0.16340E-02 4172 0.103E-01 0.170E-01
RMM: 4 -0.107708186986E+04 -0.98663E-04 -0.48950E-03 3577 0.457E-02 0.102E-01
RMM: 5 -0.107708195265E+04 -0.82792E-04 -0.24949E-03 3082 0.282E-02 0.290E-02
RMM: 6 -0.107708208553E+04 -0.13288E-03 -0.15587E-03 2270 0.156E-02 0.172E-02
RMM: 7 -0.107708221660E+04 -0.13107E-03 -0.13945E-03 2066 0.113E-02 0.746E-03
RMM: 8 -0.107708234290E+04 -0.12630E-03 -0.12477E-03 1933 0.926E-03 0.379E-03
RMM: 9 -0.107708245934E+04 -0.11644E-03 -0.11706E-03 1821 0.973E-03 0.290E-03
RMM: 10 -0.107708257594E+04 -0.11660E-03 -0.12214E-03 2026 0.139E-02 0.208E-03
RMM: 11 -0.107708268402E+04 -0.10808E-03 -0.11121E-03 1817 0.109E-02 0.150E-03
RMM: 12 -0.107708279067E+04 -0.10666E-03 -0.11137E-03 1923 0.132E-02 0.974E-04
RMM: 13 -0.107708289196E+04 -0.10129E-03 -0.10546E-03 1552 0.120E-02 0.991E-04
RMM: 14 -0.107708298904E+04 -0.97072E-04 -0.10268E-03 1529 0.138E-02 0.114E-03
RMM: 15 -0.107708308528E+04 -0.96248E-04 -0.10397E-03 1546 0.155E-02 0.146E-03
RMM: 16 -0.107708317902E+04 -0.93740E-04 -0.10128E-03 1518 0.153E-02 0.231E-03
RMM: 17 -0.107708327046E+04 -0.91434E-04 -0.98113E-04 1509 0.145E-02
620 T= 738. E= -.10765037E+04 F= -.10770833E+04 E0= -.10770510E+04 EK= 0.14792E+02 SP= -.14E+02 SK= 0.22E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107695945768E+04 0.12372E+00 -0.12348E+00 3317 0.115E+00 0.311E-01
RMM: 2 -0.107696531312E+04 -0.58554E-02 -0.87274E-02 4157 0.325E-01 0.229E-01
RMM: 3 -0.107696655427E+04 -0.12412E-02 -0.18871E-02 4227 0.115E-01 0.183E-01
RMM: 4 -0.107696659985E+04 -0.45575E-04 -0.51616E-03 3675 0.501E-02 0.111E-01
RMM: 5 -0.107696667383E+04 -0.73985E-04 -0.28311E-03 3107 0.303E-02 0.364E-02
RMM: 6 -0.107696678248E+04 -0.10865E-03 -0.15144E-03 2416 0.166E-02 0.232E-02
RMM: 7 -0.107696690519E+04 -0.12272E-03 -0.14047E-03 2023 0.114E-02 0.139E-02
RMM: 8 -0.107696702193E+04 -0.11674E-03 -0.12334E-03 2059 0.111E-02 0.542E-03
RMM: 9 -0.107696714110E+04 -0.11916E-03 -0.12200E-03 1854 0.965E-03 0.360E-03
RMM: 10 -0.107696724965E+04 -0.10855E-03 -0.11248E-03 1865 0.113E-02 0.182E-03
RMM: 11 -0.107696735974E+04 -0.11009E-03 -0.11503E-03 1917 0.127E-02 0.140E-03
RMM: 12 -0.107696746430E+04 -0.10457E-03 -0.11170E-03 1884 0.141E-02 0.127E-03
RMM: 13 -0.107696756515E+04 -0.10084E-03 -0.10739E-03 1549 0.124E-02 0.167E-03
RMM: 14 -0.107696766045E+04 -0.95309E-04 -0.10254E-03 1529 0.149E-02 0.256E-03
RMM: 15 -0.107696775736E+04 -0.96906E-04 -0.10499E-03 1577 0.162E-02 0.293E-03
RMM: 16 -0.107696785034E+04 -0.92982E-04 -0.10104E-03 1602 0.159E-02 0.350E-03
RMM: 17 -0.107696793937E+04 -0.89023E-04 -0.95430E-04 1468 0.150E-02
621 T= 731. E= -.10764868E+04 F= -.10769679E+04 E0= -.10769362E+04 EK= 0.14644E+02 SP= -.14E+02 SK= 0.43E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107676950876E+04 0.19834E+00 -0.15378E+00 3324 0.129E+00 0.347E-01
RMM: 2 -0.107677738702E+04 -0.78783E-02 -0.10702E-01 4097 0.372E-01 0.263E-01
RMM: 3 -0.107677850426E+04 -0.11172E-02 -0.20611E-02 4078 0.130E-01 0.170E-01
RMM: 4 -0.107677892576E+04 -0.42150E-03 -0.73368E-03 3738 0.629E-02 0.754E-02
RMM: 5 -0.107677894080E+04 -0.15038E-04 -0.28174E-03 3132 0.290E-02 0.450E-02
RMM: 6 -0.107677908926E+04 -0.14846E-03 -0.20878E-03 2515 0.181E-02 0.227E-02
RMM: 7 -0.107677926478E+04 -0.17552E-03 -0.18191E-03 2112 0.133E-02 0.110E-02
RMM: 8 -0.107677942529E+04 -0.16051E-03 -0.16907E-03 1933 0.104E-02 0.644E-03
RMM: 9 -0.107677958150E+04 -0.15622E-03 -0.15888E-03 1945 0.127E-02 0.420E-03
RMM: 10 -0.107677974696E+04 -0.16546E-03 -0.17382E-03 2296 0.177E-02 0.277E-03
RMM: 11 -0.107677989528E+04 -0.14832E-03 -0.15286E-03 1889 0.110E-02 0.231E-03
RMM: 12 -0.107678004419E+04 -0.14891E-03 -0.15475E-03 1915 0.131E-02 0.277E-03
RMM: 13 -0.107678018841E+04 -0.14422E-03 -0.15095E-03 1748 0.146E-02 0.377E-03
RMM: 14 -0.107678033307E+04 -0.14466E-03 -0.15302E-03 1712 0.157E-02 0.408E-03
RMM: 15 -0.107678047105E+04 -0.13798E-03 -0.14539E-03 1545 0.145E-02 0.467E-03
RMM: 16 -0.107678061133E+04 -0.14028E-03 -0.14880E-03 1642 0.161E-02 0.558E-03
RMM: 17 -0.107678074203E+04 -0.13070E-03 -0.14009E-03 1510 0.147E-02 0.616E-03
RMM: 18 -0.107678087354E+04 -0.13151E-03 -0.13997E-03 1542 0.165E-02 0.691E-03
RMM: 19 -0.107678100318E+04 -0.12964E-03 -0.13949E-03 1645 0.176E-02 0.745E-03
RMM: 20 -0.107678113024E+04 -0.12705E-03 -0.13488E-03 1549 0.156E-02 0.806E-03
RMM: 21 -0.107678125282E+04 -0.12259E-03 -0.13008E-03 1511 0.156E-02 0.866E-03
RMM: 22 -0.107678137554E+04 -0.12271E-03 -0.13042E-03 1556 0.166E-02 0.925E-03
RMM: 23 -0.107678149497E+04 -0.11943E-03 -0.12744E-03 1545 0.161E-02 0.976E-03
RMM: 24 -0.107678161214E+04 -0.11717E-03 -0.12454E-03 1773 0.159E-02 0.103E-02
RMM: 25 -0.107678172815E+04 -0.11601E-03 -0.12312E-03 1962 0.165E-02 0.115E-02
RMM: 26 -0.107678184104E+04 -0.11289E-03 -0.12196E-03 1656 0.165E-02 0.117E-02
RMM: 27 -0.107678195202E+04 -0.11098E-03 -0.11955E-03 1617 0.153E-02 0.121E-02
RMM: 28 -0.107678205784E+04 -0.10582E-03 -0.11258E-03 1480 0.145E-02 0.126E-02
RMM: 29 -0.107678216328E+04 -0.10545E-03 -0.11372E-03 1561 0.165E-02 0.131E-02
RMM: 30 -0.107678226752E+04 -0.10424E-03 -0.11367E-03 1573 0.169E-02 0.136E-02
RMM: 31 -0.107678236904E+04 -0.10151E-03 -0.11093E-03 1519 0.160E-02 0.140E-02
RMM: 32 -0.107678246606E+04 -0.97026E-04 -0.10719E-03 1517 0.162E-02 0.145E-02
RMM: 33 -0.107678256280E+04 -0.96732E-04 -0.10493E-03 1506 0.165E-02 0.150E-02
RMM: 34 -0.107678265810E+04 -0.95304E-04 -0.10378E-03 1521 0.167E-02 0.155E-02
RMM: 35 -0.107678275041E+04 -0.92307E-04 -0.10012E-03 1511 0.162E-02 0.160E-02
RMM: 36 -0.107678284253E+04 -0.92121E-04 -0.10079E-03 1546 0.169E-02 0.165E-02
RMM: 37 -0.107678293068E+04 -0.88151E-04 -0.97028E-04 1500 0.160E-02
622 T= 720. E= -.10764510E+04 F= -.10767829E+04 E0= -.10767499E+04 EK= 0.14432E+02 SP= -.14E+02 SK= 0.62E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107702019928E+04 -0.23736E+00 -0.15232E+00 3363 0.127E+00 0.388E-01
RMM: 2 -0.107702750829E+04 -0.73090E-02 -0.10276E-01 4113 0.352E-01 0.294E-01
RMM: 3 -0.107702878168E+04 -0.12734E-02 -0.21862E-02 4076 0.130E-01 0.184E-01
RMM: 4 -0.107702939281E+04 -0.61113E-03 -0.79464E-03 3806 0.618E-02 0.986E-02
RMM: 5 -0.107702922613E+04 0.16668E-03 -0.29759E-03 3056 0.289E-02 0.461E-02
RMM: 6 -0.107702939031E+04 -0.16418E-03 -0.21488E-03 2630 0.179E-02 0.209E-02
RMM: 7 -0.107702956667E+04 -0.17636E-03 -0.18749E-03 2106 0.123E-02 0.107E-02
RMM: 8 -0.107702972874E+04 -0.16208E-03 -0.16868E-03 1966 0.102E-02 0.682E-03
RMM: 9 -0.107702988982E+04 -0.16108E-03 -0.16377E-03 1921 0.113E-02 0.342E-03
RMM: 10 -0.107703005088E+04 -0.16106E-03 -0.16832E-03 2170 0.154E-02 0.193E-03
RMM: 11 -0.107703020209E+04 -0.15122E-03 -0.15550E-03 1844 0.107E-02 0.176E-03
RMM: 12 -0.107703034638E+04 -0.14429E-03 -0.14975E-03 1835 0.123E-02 0.211E-03
RMM: 13 -0.107703048823E+04 -0.14185E-03 -0.14892E-03 1638 0.137E-02 0.307E-03
RMM: 14 -0.107703062635E+04 -0.13812E-03 -0.14511E-03 1623 0.147E-02 0.288E-03
RMM: 15 -0.107703076037E+04 -0.13402E-03 -0.14186E-03 1603 0.147E-02 0.265E-03
RMM: 16 -0.107703089169E+04 -0.13131E-03 -0.13868E-03 1689 0.150E-02 0.249E-03
RMM: 17 -0.107703101732E+04 -0.12563E-03 -0.13200E-03 1518 0.136E-02 0.279E-03
RMM: 18 -0.107703114030E+04 -0.12298E-03 -0.13136E-03 1565 0.155E-02 0.344E-03
RMM: 19 -0.107703126017E+04 -0.11987E-03 -0.12690E-03 1512 0.147E-02 0.400E-03
RMM: 20 -0.107703137548E+04 -0.11532E-03 -0.12306E-03 1518 0.151E-02 0.458E-03
RMM: 21 -0.107703148820E+04 -0.11272E-03 -0.12057E-03 1524 0.156E-02 0.526E-03
RMM: 22 -0.107703159858E+04 -0.11038E-03 -0.11842E-03 1571 0.159E-02 0.586E-03
RMM: 23 -0.107703170512E+04 -0.10653E-03 -0.11356E-03 1489 0.148E-02 0.652E-03
RMM: 24 -0.107703180844E+04 -0.10333E-03 -0.11076E-03 1513 0.156E-02 0.713E-03
RMM: 25 -0.107703190918E+04 -0.10074E-03 -0.10840E-03 1497 0.160E-02 0.778E-03
RMM: 26 -0.107703200833E+04 -0.99153E-04 -0.10779E-03 1552 0.169E-02 0.836E-03
RMM: 27 -0.107703210409E+04 -0.95752E-04 -0.10374E-03 1485 0.160E-02 0.895E-03
RMM: 28 -0.107703219715E+04 -0.93061E-04 -0.10107E-03 1507 0.163E-02 0.954E-03
RMM: 29 -0.107703228865E+04 -0.91497E-04 -0.99533E-04 1514 0.164E-02
623 T= 728. E= -.10764726E+04 F= -.10770323E+04 E0= -.10769983E+04 EK= 0.14588E+02 SP= -.14E+02 SK= 0.83E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107746055491E+04 -0.42836E+00 -0.10706E+00 3356 0.107E+00 0.289E-01
RMM: 2 -0.107746637759E+04 -0.58227E-02 -0.74167E-02 4060 0.290E-01 0.231E-01
RMM: 3 -0.107746752732E+04 -0.11497E-02 -0.16390E-02 4002 0.104E-01 0.170E-01
RMM: 4 -0.107746784615E+04 -0.31884E-03 -0.56726E-03 3407 0.504E-02 0.673E-02
RMM: 5 -0.107746796729E+04 -0.12113E-03 -0.31465E-03 3143 0.278E-02 0.384E-02
RMM: 6 -0.107746811069E+04 -0.14340E-03 -0.20529E-03 2266 0.158E-02 0.236E-02
RMM: 7 -0.107746830541E+04 -0.19472E-03 -0.21294E-03 2415 0.152E-02 0.119E-02
RMM: 8 -0.107746847462E+04 -0.16921E-03 -0.17778E-03 1913 0.100E-02 0.790E-03
RMM: 9 -0.107746864413E+04 -0.16952E-03 -0.17612E-03 1847 0.109E-02 0.484E-03
RMM: 10 -0.107746881144E+04 -0.16730E-03 -0.17410E-03 2178 0.149E-02 0.529E-03
RMM: 11 -0.107746897166E+04 -0.16022E-03 -0.16577E-03 1851 0.104E-02 0.314E-03
RMM: 12 -0.107746912378E+04 -0.15212E-03 -0.15772E-03 1824 0.115E-02 0.263E-03
RMM: 13 -0.107746927308E+04 -0.14930E-03 -0.15529E-03 1626 0.128E-02 0.364E-03
RMM: 14 -0.107746941977E+04 -0.14669E-03 -0.15433E-03 1693 0.154E-02 0.443E-03
RMM: 15 -0.107746956132E+04 -0.14154E-03 -0.14899E-03 1590 0.144E-02 0.465E-03
RMM: 16 -0.107746969895E+04 -0.13763E-03 -0.14577E-03 1703 0.156E-02 0.469E-03
RMM: 17 -0.107746983191E+04 -0.13296E-03 -0.14062E-03 1647 0.147E-02 0.478E-03
RMM: 18 -0.107746996128E+04 -0.12937E-03 -0.13698E-03 1582 0.154E-02 0.528E-03
RMM: 19 -0.107747008768E+04 -0.12640E-03 -0.13429E-03 1586 0.157E-02 0.607E-03
RMM: 20 -0.107747020895E+04 -0.12127E-03 -0.12879E-03 1494 0.152E-02 0.661E-03
RMM: 21 -0.107747032815E+04 -0.11920E-03 -0.12734E-03 1582 0.161E-02 0.737E-03
RMM: 22 -0.107747044230E+04 -0.11414E-03 -0.12195E-03 1504 0.157E-02 0.796E-03
RMM: 23 -0.107747055476E+04 -0.11246E-03 -0.12106E-03 1549 0.167E-02 0.866E-03
RMM: 24 -0.107747066419E+04 -0.10943E-03 -0.11800E-03 1568 0.166E-02 0.929E-03
RMM: 25 -0.107747077140E+04 -0.10721E-03 -0.11499E-03 1528 0.157E-02 0.993E-03
RMM: 26 -0.107747087271E+04 -0.10130E-03 -0.10815E-03 1460 0.149E-02 0.106E-02
RMM: 27 -0.107747097327E+04 -0.10057E-03 -0.10876E-03 1547 0.163E-02 0.111E-02
RMM: 28 -0.107747106943E+04 -0.96154E-04 -0.10353E-03 1469 0.154E-02 0.117E-02
RMM: 29 -0.107747116399E+04 -0.94563E-04 -0.10290E-03 1538 0.165E-02 0.123E-02
RMM: 30 -0.107747125545E+04 -0.91459E-04 -0.99547E-04 1502 0.159E-02
624 T= 743. E= -.10765223E+04 F= -.10774713E+04 E0= -.10774375E+04 EK= 0.14891E+02 SP= -.14E+02 SK= 0.12E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107746495542E+04 0.62086E-02 -0.12672E+00 3318 0.115E+00 0.338E-01
RMM: 2 -0.107747124460E+04 -0.62892E-02 -0.84524E-02 4088 0.310E-01 0.262E-01
RMM: 3 -0.107747209335E+04 -0.84875E-03 -0.17542E-02 4001 0.110E-01 0.160E-01
RMM: 4 -0.107747239979E+04 -0.30644E-03 -0.56428E-03 3488 0.517E-02 0.653E-02
RMM: 5 -0.107747246979E+04 -0.69996E-04 -0.26390E-03 3039 0.263E-02 0.437E-02
RMM: 6 -0.107747259095E+04 -0.12116E-03 -0.17945E-03 2270 0.159E-02 0.197E-02
RMM: 7 -0.107747275374E+04 -0.16279E-03 -0.17204E-03 2128 0.141E-02 0.806E-03
RMM: 8 -0.107747290318E+04 -0.14944E-03 -0.15425E-03 1849 0.943E-03 0.585E-03
RMM: 9 -0.107747304718E+04 -0.14400E-03 -0.14794E-03 1762 0.104E-02 0.370E-03
RMM: 10 -0.107747319017E+04 -0.14299E-03 -0.15095E-03 2153 0.154E-02 0.167E-03
RMM: 11 -0.107747333016E+04 -0.14000E-03 -0.14679E-03 1900 0.133E-02 0.176E-03
RMM: 12 -0.107747346410E+04 -0.13394E-03 -0.13916E-03 1821 0.123E-02 0.249E-03
RMM: 13 -0.107747359430E+04 -0.13020E-03 -0.13661E-03 1603 0.140E-02 0.323E-03
RMM: 14 -0.107747372300E+04 -0.12870E-03 -0.13693E-03 1595 0.164E-02 0.402E-03
RMM: 15 -0.107747384937E+04 -0.12637E-03 -0.13441E-03 1588 0.159E-02 0.470E-03
RMM: 16 -0.107747397308E+04 -0.12371E-03 -0.13085E-03 1554 0.154E-02 0.538E-03
RMM: 17 -0.107747409440E+04 -0.12132E-03 -0.12933E-03 1578 0.156E-02 0.605E-03
RMM: 18 -0.107747421136E+04 -0.11697E-03 -0.12377E-03 1505 0.145E-02 0.675E-03
RMM: 19 -0.107747432605E+04 -0.11468E-03 -0.12241E-03 1614 0.156E-02 0.751E-03
RMM: 20 -0.107747443851E+04 -0.11246E-03 -0.11979E-03 1636 0.156E-02 0.835E-03
RMM: 21 -0.107747454827E+04 -0.10977E-03 -0.11791E-03 1569 0.155E-02 0.894E-03
RMM: 22 -0.107747465328E+04 -0.10501E-03 -0.11218E-03 1467 0.148E-02 0.956E-03
RMM: 23 -0.107747475844E+04 -0.10516E-03 -0.11379E-03 1545 0.165E-02 0.102E-02
RMM: 24 -0.107747485916E+04 -0.10072E-03 -0.10853E-03 1500 0.153E-02 0.108E-02
RMM: 25 -0.107747495861E+04 -0.99455E-04 -0.10734E-03 1508 0.157E-02 0.114E-02
RMM: 26 -0.107747505547E+04 -0.96851E-04 -0.10453E-03 1489 0.157E-02 0.119E-02
RMM: 27 -0.107747514941E+04 -0.93948E-04 -0.10240E-03 1492 0.158E-02 0.125E-02
RMM: 28 -0.107747524069E+04 -0.91276E-04 -0.98726E-04 1458 0.156E-02
625 T= 739. E= -.10765100E+04 F= -.10774752E+04 E0= -.10774413E+04 EK= 0.14799E+02 SP= -.14E+02 SK= 0.18E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107712145522E+04 0.35369E+00 -0.15471E+00 3306 0.127E+00 0.391E-01
RMM: 2 -0.107712816017E+04 -0.67049E-02 -0.10003E-01 4100 0.347E-01 0.296E-01
RMM: 3 -0.107712887561E+04 -0.71544E-03 -0.21774E-02 4087 0.123E-01 0.159E-01
RMM: 4 -0.107712927165E+04 -0.39605E-03 -0.64325E-03 3672 0.557E-02 0.745E-02
RMM: 5 -0.107712938448E+04 -0.11282E-03 -0.30132E-03 2910 0.261E-02 0.517E-02
RMM: 6 -0.107712953293E+04 -0.14845E-03 -0.22113E-03 2582 0.181E-02 0.152E-02
RMM: 7 -0.107712973051E+04 -0.19758E-03 -0.20481E-03 1985 0.127E-02 0.921E-03
RMM: 8 -0.107712990874E+04 -0.17823E-03 -0.18325E-03 1924 0.110E-02 0.774E-03
RMM: 9 -0.107713008999E+04 -0.18125E-03 -0.18580E-03 1911 0.112E-02 0.299E-03
RMM: 10 -0.107713026009E+04 -0.17010E-03 -0.17560E-03 2035 0.125E-02 0.187E-03
RMM: 11 -0.107713043033E+04 -0.17024E-03 -0.17615E-03 1964 0.122E-02 0.188E-03
RMM: 12 -0.107713058884E+04 -0.15850E-03 -0.16469E-03 1844 0.124E-02 0.263E-03
RMM: 13 -0.107713074655E+04 -0.15771E-03 -0.16446E-03 1616 0.139E-02 0.355E-03
RMM: 14 -0.107713090025E+04 -0.15370E-03 -0.16225E-03 1692 0.168E-02 0.440E-03
RMM: 15 -0.107713105196E+04 -0.15171E-03 -0.15864E-03 1568 0.148E-02 0.511E-03
RMM: 16 -0.107713119683E+04 -0.14487E-03 -0.15173E-03 1541 0.148E-02 0.591E-03
RMM: 17 -0.107713134101E+04 -0.14418E-03 -0.15196E-03 1567 0.158E-02 0.679E-03
RMM: 18 -0.107713147953E+04 -0.13851E-03 -0.14693E-03 1543 0.160E-02 0.752E-03
RMM: 19 -0.107713161656E+04 -0.13703E-03 -0.14543E-03 1549 0.158E-02 0.844E-03
RMM: 20 -0.107713174674E+04 -0.13019E-03 -0.13955E-03 1496 0.157E-02 0.925E-03
RMM: 21 -0.107713187630E+04 -0.12955E-03 -0.13839E-03 1547 0.166E-02 0.100E-02
RMM: 22 -0.107713200083E+04 -0.12454E-03 -0.13315E-03 1517 0.160E-02 0.108E-02
RMM: 23 -0.107713212428E+04 -0.12345E-03 -0.13100E-03 1548 0.161E-02 0.116E-02
RMM: 24 -0.107713224341E+04 -0.11913E-03 -0.12684E-03 1514 0.158E-02 0.123E-02
RMM: 25 -0.107713236019E+04 -0.11678E-03 -0.12412E-03 1474 0.155E-02 0.131E-02
RMM: 26 -0.107713247342E+04 -0.11323E-03 -0.12111E-03 1495 0.163E-02 0.138E-02
RMM: 27 -0.107713258533E+04 -0.11191E-03 -0.12054E-03 1554 0.166E-02 0.145E-02
RMM: 28 -0.107713269322E+04 -0.10789E-03 -0.11539E-03 1477 0.155E-02 0.152E-02
RMM: 29 -0.107713279884E+04 -0.10561E-03 -0.11344E-03 1515 0.161E-02 0.159E-02
RMM: 30 -0.107713290159E+04 -0.10275E-03 -0.11026E-03 1465 0.161E-02 0.166E-02
RMM: 31 -0.107713300282E+04 -0.10123E-03 -0.10957E-03 1500 0.165E-02 0.173E-02
RMM: 32 -0.107713309985E+04 -0.97030E-04 -0.10429E-03 1440 0.155E-02 0.180E-02
RMM: 33 -0.107713319740E+04 -0.97549E-04 -0.10572E-03 1511 0.165E-02 0.186E-02
RMM: 34 -0.107713329024E+04 -0.92844E-04 -0.10096E-03 1460 0.153E-02 0.192E-02
RMM: 35 -0.107713338047E+04 -0.90228E-04 -0.97623E-04 1446 0.154E-02
626 T= 717. E= -.10764830E+04 F= -.10771334E+04 E0= -.10770989E+04 EK= 0.14360E+02 SP= -.14E+02 SK= 0.22E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107676988074E+04 0.36341E+00 -0.11682E+00 3356 0.114E+00 0.274E-01
RMM: 2 -0.107677615637E+04 -0.62756E-02 -0.77402E-02 4088 0.312E-01 0.206E-01
RMM: 3 -0.107677733828E+04 -0.11819E-02 -0.15861E-02 4036 0.110E-01 0.145E-01
RMM: 4 -0.107677768878E+04 -0.35051E-03 -0.53369E-03 3632 0.506E-02 0.813E-02
RMM: 5 -0.107677770677E+04 -0.17988E-04 -0.26769E-03 2994 0.260E-02 0.333E-02
RMM: 6 -0.107677783916E+04 -0.13239E-03 -0.16404E-03 2197 0.154E-02 0.185E-02
RMM: 7 -0.107677800013E+04 -0.16097E-03 -0.17137E-03 2119 0.134E-02 0.940E-03
RMM: 8 -0.107677813296E+04 -0.13282E-03 -0.13885E-03 1927 0.103E-02 0.457E-03
RMM: 9 -0.107677827826E+04 -0.14530E-03 -0.14705E-03 1820 0.990E-03 0.254E-03
RMM: 10 -0.107677840935E+04 -0.13109E-03 -0.13665E-03 2118 0.141E-02 0.137E-03
RMM: 11 -0.107677854305E+04 -0.13370E-03 -0.13899E-03 1876 0.116E-02 0.151E-03
RMM: 12 -0.107677866159E+04 -0.11854E-03 -0.12443E-03 1834 0.129E-02 0.197E-03
RMM: 13 -0.107677878653E+04 -0.12494E-03 -0.13265E-03 1641 0.153E-02 0.265E-03
RMM: 14 -0.107677890127E+04 -0.11475E-03 -0.12206E-03 1539 0.154E-02 0.324E-03
RMM: 15 -0.107677902101E+04 -0.11974E-03 -0.12752E-03 1532 0.156E-02 0.389E-03
RMM: 16 -0.107677913126E+04 -0.11025E-03 -0.11785E-03 1497 0.145E-02 0.457E-03
RMM: 17 -0.107677924236E+04 -0.11111E-03 -0.11899E-03 1427 0.139E-02 0.523E-03
RMM: 18 -0.107677934418E+04 -0.10181E-03 -0.11146E-03 1466 0.155E-02 0.589E-03
RMM: 19 -0.107677945086E+04 -0.10668E-03 -0.11520E-03 1563 0.163E-02 0.652E-03
RMM: 20 -0.107677954971E+04 -0.98853E-04 -0.10527E-03 1414 0.140E-02 0.715E-03
RMM: 21 -0.107677964885E+04 -0.99137E-04 -0.10729E-03 1504 0.154E-02 0.779E-03
RMM: 22 -0.107677974273E+04 -0.93875E-04 -0.10078E-03 1440 0.150E-02 0.842E-03
RMM: 23 -0.107677983706E+04 -0.94338E-04 -0.10243E-03 1504 0.162E-02 0.907E-03
RMM: 24 -0.107677992760E+04 -0.90534E-04 -0.97935E-04 1493 0.155E-02
627 T= 693. E= -.10764783E+04 F= -.10767799E+04 E0= -.10767450E+04 EK= 0.13885E+02 SP= -.14E+02 SK= 0.22E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107648751716E+04 0.29232E+00 -0.11468E+00 3329 0.111E+00 0.302E-01
RMM: 2 -0.107649323443E+04 -0.57173E-02 -0.75781E-02 4090 0.298E-01 0.228E-01
RMM: 3 -0.107649450736E+04 -0.12729E-02 -0.17643E-02 4055 0.108E-01 0.157E-01
RMM: 4 -0.107649495882E+04 -0.45146E-03 -0.65749E-03 3582 0.500E-02 0.779E-02
RMM: 5 -0.107649510320E+04 -0.14438E-03 -0.37404E-03 2929 0.256E-02 0.342E-02
RMM: 6 -0.107649533289E+04 -0.22968E-03 -0.27304E-03 2234 0.156E-02 0.205E-02
RMM: 7 -0.107649559437E+04 -0.26148E-03 -0.27489E-03 2151 0.142E-02 0.976E-03
RMM: 8 -0.107649583215E+04 -0.23778E-03 -0.24306E-03 1911 0.103E-02 0.503E-03
RMM: 9 -0.107649607360E+04 -0.24145E-03 -0.24405E-03 1806 0.100E-02 0.346E-03
RMM: 10 -0.107649630193E+04 -0.22833E-03 -0.23396E-03 2165 0.142E-02 0.167E-03
RMM: 11 -0.107649652821E+04 -0.22628E-03 -0.23127E-03 1885 0.119E-02 0.167E-03
RMM: 12 -0.107649673933E+04 -0.21112E-03 -0.21737E-03 1869 0.135E-02 0.211E-03
RMM: 13 -0.107649695125E+04 -0.21192E-03 -0.21915E-03 1653 0.143E-02 0.342E-03
RMM: 14 -0.107649715204E+04 -0.20079E-03 -0.20748E-03 1566 0.151E-02 0.361E-03
RMM: 15 -0.107649735444E+04 -0.20241E-03 -0.21122E-03 1661 0.167E-02 0.360E-03
RMM: 16 -0.107649754576E+04 -0.19131E-03 -0.19970E-03 1641 0.152E-02 0.353E-03
RMM: 17 -0.107649773361E+04 -0.18785E-03 -0.19475E-03 1520 0.136E-02 0.371E-03
RMM: 18 -0.107649791260E+04 -0.17899E-03 -0.18672E-03 1508 0.150E-02 0.427E-03
RMM: 19 -0.107649809082E+04 -0.17823E-03 -0.18754E-03 1567 0.160E-02 0.511E-03
RMM: 20 -0.107649825991E+04 -0.16908E-03 -0.17606E-03 1445 0.140E-02 0.578E-03
RMM: 21 -0.107649842806E+04 -0.16815E-03 -0.17590E-03 1537 0.150E-02 0.651E-03
RMM: 22 -0.107649858649E+04 -0.15844E-03 -0.16502E-03 1433 0.141E-02 0.724E-03
RMM: 23 -0.107649874445E+04 -0.15796E-03 -0.16623E-03 1516 0.160E-02 0.803E-03
RMM: 24 -0.107649889496E+04 -0.15051E-03 -0.15838E-03 1487 0.153E-02 0.873E-03
RMM: 25 -0.107649904245E+04 -0.14749E-03 -0.15493E-03 1478 0.153E-02 0.945E-03
RMM: 26 -0.107649918493E+04 -0.14248E-03 -0.15038E-03 1501 0.162E-02 0.101E-02
RMM: 27 -0.107649932562E+04 -0.14070E-03 -0.14890E-03 1535 0.161E-02 0.108E-02
RMM: 28 -0.107649945818E+04 -0.13256E-03 -0.13988E-03 1450 0.148E-02 0.115E-02
RMM: 29 -0.107649958925E+04 -0.13107E-03 -0.13893E-03 1501 0.162E-02 0.122E-02
RMM: 30 -0.107649971588E+04 -0.12663E-03 -0.13511E-03 1501 0.162E-02 0.128E-02
RMM: 31 -0.107649983801E+04 -0.12213E-03 -0.13004E-03 1467 0.157E-02 0.134E-02
RMM: 32 -0.107649995745E+04 -0.11944E-03 -0.12736E-03 1527 0.166E-02 0.140E-02
RMM: 33 -0.107650007370E+04 -0.11625E-03 -0.12410E-03 1509 0.160E-02 0.146E-02
RMM: 34 -0.107650018447E+04 -0.11077E-03 -0.11801E-03 1445 0.152E-02 0.152E-02
RMM: 35 -0.107650029266E+04 -0.10819E-03 -0.11603E-03 1473 0.164E-02 0.158E-02
RMM: 36 -0.107650039917E+04 -0.10651E-03 -0.11469E-03 1509 0.167E-02 0.163E-02
RMM: 37 -0.107650050034E+04 -0.10117E-03 -0.10843E-03 1425 0.150E-02 0.169E-02
RMM: 38 -0.107650059846E+04 -0.98116E-04 -0.10576E-03 1457 0.158E-02 0.174E-02
RMM: 39 -0.107650069555E+04 -0.97089E-04 -0.10511E-03 1484 0.166E-02 0.179E-02
RMM: 40 -0.107650078845E+04 -0.92901E-04 -0.10083E-03 1442 0.156E-02 0.185E-02
RMM: 41 -0.107650087718E+04 -0.88731E-04 -0.96110E-04 1426 0.152E-02
628 T= 674. E= -.10764683E+04 F= -.10765009E+04 E0= -.10764650E+04 EK= 0.13497E+02 SP= -.13E+02 SK= 0.19E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107639206273E+04 0.10873E+00 -0.11324E+00 3343 0.110E+00 0.304E-01
RMM: 2 -0.107639751085E+04 -0.54481E-02 -0.73785E-02 4073 0.297E-01 0.239E-01
RMM: 3 -0.107639845257E+04 -0.94172E-03 -0.15881E-02 4088 0.105E-01 0.165E-01
RMM: 4 -0.107639873602E+04 -0.28345E-03 -0.54082E-03 3506 0.492E-02 0.859E-02
RMM: 5 -0.107639870138E+04 0.34634E-04 -0.27337E-03 2962 0.259E-02 0.358E-02
RMM: 6 -0.107639883092E+04 -0.12954E-03 -0.16806E-03 2281 0.154E-02 0.173E-02
RMM: 7 -0.107639899918E+04 -0.16826E-03 -0.17792E-03 2103 0.136E-02 0.791E-03
RMM: 8 -0.107639913598E+04 -0.13680E-03 -0.14240E-03 1894 0.972E-03 0.536E-03
RMM: 9 -0.107639928307E+04 -0.14708E-03 -0.15017E-03 1763 0.959E-03 0.274E-03
RMM: 10 -0.107639941404E+04 -0.13097E-03 -0.13779E-03 2138 0.140E-02 0.146E-03
RMM: 11 -0.107639955131E+04 -0.13728E-03 -0.14287E-03 1883 0.119E-02 0.165E-03
RMM: 12 -0.107639967083E+04 -0.11952E-03 -0.12525E-03 1762 0.126E-02 0.233E-03
RMM: 13 -0.107639979753E+04 -0.12669E-03 -0.13429E-03 1595 0.149E-02 0.286E-03
RMM: 14 -0.107639991291E+04 -0.11538E-03 -0.12330E-03 1571 0.157E-02 0.339E-03
RMM: 15 -0.107640003188E+04 -0.11897E-03 -0.12618E-03 1498 0.147E-02 0.401E-03
RMM: 16 -0.107640014046E+04 -0.10858E-03 -0.11596E-03 1485 0.149E-02 0.463E-03
RMM: 17 -0.107640025170E+04 -0.11124E-03 -0.11887E-03 1503 0.150E-02 0.530E-03
RMM: 18 -0.107640035521E+04 -0.10351E-03 -0.11069E-03 1477 0.152E-02 0.578E-03
RMM: 19 -0.107640045995E+04 -0.10474E-03 -0.11264E-03 1505 0.155E-02 0.634E-03
RMM: 20 -0.107640055896E+04 -0.99011E-04 -0.10648E-03 1492 0.151E-02 0.696E-03
RMM: 21 -0.107640065597E+04 -0.97009E-04 -0.10435E-03 1441 0.146E-02 0.753E-03
RMM: 22 -0.107640074919E+04 -0.93223E-04 -0.10092E-03 1502 0.158E-02 0.811E-03
RMM: 23 -0.107640084332E+04 -0.94125E-04 -0.10226E-03 1510 0.163E-02 0.869E-03
RMM: 24 -0.107640093082E+04 -0.87498E-04 -0.95351E-04 1474 0.156E-02
629 T= 664. E= -.10764613E+04 F= -.10764009E+04 E0= -.10763649E+04 EK= 0.13302E+02 SP= -.13E+02 SK= 0.14E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107649534199E+04 -0.94499E-01 -0.90549E-01 3390 0.978E-01 0.271E-01
RMM: 2 -0.107649967354E+04 -0.43316E-02 -0.60211E-02 4092 0.270E-01 0.209E-01
RMM: 3 -0.107650043937E+04 -0.76583E-03 -0.12862E-02 4032 0.968E-02 0.158E-01
RMM: 4 -0.107650051289E+04 -0.73522E-04 -0.44425E-03 3403 0.454E-02 0.702E-02
RMM: 5 -0.107650065072E+04 -0.13782E-03 -0.24017E-03 3028 0.253E-02 0.312E-02
RMM: 6 -0.107650078665E+04 -0.13593E-03 -0.16622E-03 2196 0.148E-02 0.201E-02
RMM: 7 -0.107650093066E+04 -0.14402E-03 -0.15908E-03 2170 0.136E-02 0.940E-03
RMM: 8 -0.107650106883E+04 -0.13816E-03 -0.14239E-03 1851 0.956E-03 0.487E-03
RMM: 9 -0.107650120417E+04 -0.13534E-03 -0.13825E-03 1800 0.105E-02 0.261E-03
RMM: 10 -0.107650134015E+04 -0.13598E-03 -0.14248E-03 2131 0.152E-02 0.170E-03
RMM: 11 -0.107650147224E+04 -0.13210E-03 -0.13777E-03 1881 0.123E-02 0.173E-03
RMM: 12 -0.107650159714E+04 -0.12490E-03 -0.13011E-03 1750 0.121E-02 0.231E-03
RMM: 13 -0.107650172226E+04 -0.12512E-03 -0.13268E-03 1673 0.153E-02 0.295E-03
RMM: 14 -0.107650184618E+04 -0.12392E-03 -0.13107E-03 1577 0.155E-02 0.354E-03
RMM: 15 -0.107650197010E+04 -0.12392E-03 -0.13064E-03 1558 0.149E-02 0.421E-03
RMM: 16 -0.107650208923E+04 -0.11912E-03 -0.12518E-03 1438 0.137E-02 0.479E-03
RMM: 17 -0.107650220727E+04 -0.11804E-03 -0.12460E-03 1492 0.143E-02 0.546E-03
RMM: 18 -0.107650232265E+04 -0.11538E-03 -0.12197E-03 1466 0.149E-02 0.612E-03
RMM: 19 -0.107650243852E+04 -0.11587E-03 -0.12324E-03 1516 0.157E-02 0.673E-03
RMM: 20 -0.107650255190E+04 -0.11338E-03 -0.12046E-03 1465 0.151E-02 0.735E-03
RMM: 21 -0.107650266321E+04 -0.11130E-03 -0.11869E-03 1488 0.152E-02 0.797E-03
RMM: 22 -0.107650277411E+04 -0.11090E-03 -0.11813E-03 1476 0.155E-02 0.860E-03
RMM: 23 -0.107650288258E+04 -0.10847E-03 -0.11563E-03 1473 0.154E-02 0.922E-03
RMM: 24 -0.107650299137E+04 -0.10878E-03 -0.11653E-03 1494 0.161E-02 0.983E-03
RMM: 25 -0.107650309816E+04 -0.10679E-03 -0.11364E-03 1459 0.151E-02 0.105E-02
RMM: 26 -0.107650320255E+04 -0.10439E-03 -0.11127E-03 1437 0.149E-02 0.110E-02
RMM: 27 -0.107650330764E+04 -0.10508E-03 -0.11252E-03 1501 0.161E-02 0.117E-02
RMM: 28 -0.107650341068E+04 -0.10304E-03 -0.10993E-03 1453 0.153E-02 0.123E-02
RMM: 29 -0.107650351315E+04 -0.10247E-03 -0.11007E-03 1473 0.159E-02 0.128E-02
RMM: 30 -0.107650361345E+04 -0.10030E-03 -0.10714E-03 1432 0.151E-02 0.134E-02
RMM: 31 -0.107650371394E+04 -0.10048E-03 -0.10790E-03 1459 0.160E-02 0.140E-02
RMM: 32 -0.107650381312E+04 -0.99183E-04 -0.10660E-03 1456 0.156E-02 0.146E-02
RMM: 33 -0.107650391061E+04 -0.97494E-04 -0.10430E-03 1412 0.151E-02 0.152E-02
RMM: 34 -0.107650400813E+04 -0.97522E-04 -0.10476E-03 1443 0.157E-02 0.157E-02
RMM: 35 -0.107650410416E+04 -0.96030E-04 -0.10294E-03 1425 0.149E-02 0.163E-02
RMM: 36 -0.107650419967E+04 -0.95500E-04 -0.10231E-03 1455 0.153E-02 0.169E-02
RMM: 37 -0.107650429359E+04 -0.93923E-04 -0.10104E-03 1408 0.150E-02 0.174E-02
RMM: 38 -0.107650438710E+04 -0.93516E-04 -0.10032E-03 1421 0.152E-02 0.180E-02
RMM: 39 -0.107650448026E+04 -0.93154E-04 -0.10019E-03 1401 0.150E-02 0.186E-02
RMM: 40 -0.107650457173E+04 -0.91477E-04 -0.97803E-04 1389 0.143E-02
630 T= 664. E= -.10764776E+04 F= -.10765046E+04 E0= -.10764696E+04 EK= 0.13307E+02 SP= -.13E+02 SK= 0.88E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107652639049E+04 -0.21910E-01 -0.86112E-01 3355 0.965E-01 0.266E-01
RMM: 2 -0.107653092954E+04 -0.45391E-02 -0.59967E-02 4073 0.266E-01 0.203E-01
RMM: 3 -0.107653182064E+04 -0.89110E-03 -0.12689E-02 4001 0.941E-02 0.146E-01
RMM: 4 -0.107653205161E+04 -0.23097E-03 -0.40865E-03 3428 0.438E-02 0.722E-02
RMM: 5 -0.107653209272E+04 -0.41112E-04 -0.22741E-03 2985 0.252E-02 0.292E-02
RMM: 6 -0.107653220801E+04 -0.11529E-03 -0.14517E-03 2112 0.144E-02 0.185E-02
RMM: 7 -0.107653234072E+04 -0.13272E-03 -0.14497E-03 2108 0.131E-02 0.936E-03
RMM: 8 -0.107653246828E+04 -0.12755E-03 -0.13045E-03 1882 0.963E-03 0.453E-03
RMM: 9 -0.107653259484E+04 -0.12656E-03 -0.12874E-03 1763 0.951E-03 0.270E-03
RMM: 10 -0.107653272008E+04 -0.12524E-03 -0.12929E-03 1935 0.127E-02 0.157E-03
RMM: 11 -0.107653284582E+04 -0.12575E-03 -0.13159E-03 1972 0.132E-02 0.168E-03
RMM: 12 -0.107653296598E+04 -0.12016E-03 -0.12459E-03 1737 0.121E-02 0.186E-03
RMM: 13 -0.107653308761E+04 -0.12163E-03 -0.12923E-03 1664 0.155E-02 0.294E-03
RMM: 14 -0.107653320817E+04 -0.12055E-03 -0.12734E-03 1520 0.155E-02 0.314E-03
RMM: 15 -0.107653333294E+04 -0.12478E-03 -0.13245E-03 1622 0.165E-02 0.369E-03
RMM: 16 -0.107653345255E+04 -0.11961E-03 -0.12560E-03 1421 0.131E-02 0.425E-03
RMM: 17 -0.107653357227E+04 -0.11971E-03 -0.12558E-03 1430 0.137E-02 0.502E-03
RMM: 18 -0.107653369148E+04 -0.11921E-03 -0.12588E-03 1471 0.148E-02 0.561E-03
RMM: 19 -0.107653381035E+04 -0.11887E-03 -0.12577E-03 1498 0.149E-02 0.626E-03
RMM: 20 -0.107653392827E+04 -0.11792E-03 -0.12422E-03 1424 0.146E-02 0.692E-03
RMM: 21 -0.107653404701E+04 -0.11874E-03 -0.12589E-03 1513 0.154E-02 0.761E-03
RMM: 22 -0.107653416460E+04 -0.11759E-03 -0.12412E-03 1453 0.145E-02 0.828E-03
RMM: 23 -0.107653428097E+04 -0.11637E-03 -0.12308E-03 1438 0.147E-02 0.901E-03
RMM: 24 -0.107653439668E+04 -0.11571E-03 -0.12254E-03 1455 0.154E-02 0.974E-03
RMM: 25 -0.107653451318E+04 -0.11650E-03 -0.12406E-03 1468 0.163E-02 0.105E-02
RMM: 26 -0.107653462842E+04 -0.11524E-03 -0.12198E-03 1442 0.155E-02 0.112E-02
RMM: 27 -0.107653474431E+04 -0.11589E-03 -0.12312E-03 1478 0.158E-02 0.119E-02
RMM: 28 -0.107653485840E+04 -0.11409E-03 -0.12067E-03 1435 0.150E-02 0.127E-02
RMM: 29 -0.107653497263E+04 -0.11423E-03 -0.12105E-03 1454 0.155E-02 0.134E-02
RMM: 30 -0.107653508702E+04 -0.11439E-03 -0.12149E-03 1472 0.156E-02 0.141E-02
RMM: 31 -0.107653519895E+04 -0.11192E-03 -0.11874E-03 1412 0.150E-02 0.149E-02
RMM: 32 -0.107653531246E+04 -0.11351E-03 -0.12072E-03 1460 0.160E-02 0.156E-02
RMM: 33 -0.107653542456E+04 -0.11211E-03 -0.11894E-03 1440 0.154E-02 0.163E-02
RMM: 34 -0.107653553675E+04 -0.11219E-03 -0.11963E-03 1464 0.156E-02 0.171E-02
RMM: 35 -0.107653564688E+04 -0.11012E-03 -0.11693E-03 1412 0.151E-02 0.178E-02
RMM: 36 -0.107653575644E+04 -0.10956E-03 -0.11665E-03 1433 0.156E-02 0.186E-02
RMM: 37 -0.107653586692E+04 -0.11048E-03 -0.11801E-03 1450 0.161E-02 0.193E-02
RMM: 38 -0.107653597602E+04 -0.10910E-03 -0.11573E-03 1413 0.151E-02 0.201E-02
RMM: 39 -0.107653608502E+04 -0.10900E-03 -0.11575E-03 1419 0.151E-02 0.208E-02
RMM: 40 -0.107653619245E+04 -0.10743E-03 -0.11414E-03 1393 0.149E-02 0.216E-02
RMM: 41 -0.107653629972E+04 -0.10727E-03 -0.11409E-03 1381 0.151E-02 0.223E-02
RMM: 42 -0.107653640674E+04 -0.10702E-03 -0.11411E-03 1428 0.153E-02 0.231E-02
RMM: 43 -0.107653651264E+04 -0.10590E-03 -0.11289E-03 1412 0.148E-02 0.238E-02
RMM: 44 -0.107653661743E+04 -0.10479E-03 -0.11081E-03 1358 0.143E-02 0.245E-02
RMM: 45 -0.107653672245E+04 -0.10503E-03 -0.11174E-03 1390 0.151E-02 0.253E-02
RMM: 46 -0.107653682571E+04 -0.10326E-03 -0.10999E-03 1391 0.149E-02 0.260E-02
RMM: 47 -0.107653692874E+04 -0.10303E-03 -0.10993E-03 1403 0.150E-02 0.267E-02
RMM: 48 -0.107653703172E+04 -0.10298E-03 -0.10984E-03 1398 0.151E-02 0.274E-02
RMM: 49 -0.107653713243E+04 -0.10071E-03 -0.10753E-03 1367 0.149E-02 0.282E-02
RMM: 50 -0.107653723324E+04 -0.10081E-03 -0.10775E-03 1405 0.150E-02 0.289E-02
RMM: 51 -0.107653733285E+04 -0.99614E-04 -0.10601E-03 1369 0.144E-02 0.295E-02
RMM: 52 -0.107653743186E+04 -0.99014E-04 -0.10578E-03 1371 0.147E-02 0.302E-02
RMM: 53 -0.107653752927E+04 -0.97408E-04 -0.10417E-03 1372 0.146E-02 0.309E-02
RMM: 54 -0.107653762673E+04 -0.97460E-04 -0.10423E-03 1385 0.147E-02 0.315E-02
RMM: 55 -0.107653772260E+04 -0.95871E-04 -0.10269E-03 1392 0.145E-02 0.322E-02
RMM: 56 -0.107653781731E+04 -0.94703E-04 -0.10127E-03 1341 0.145E-02 0.329E-02
RMM: 57 -0.107653791356E+04 -0.96256E-04 -0.10089E-03 1366 0.150E-02 0.340E-02
RMM: 58 -0.107653800888E+04 -0.95316E-04 -0.10207E-03 1420 0.156E-02 0.348E-02
RMM: 59 -0.107653810071E+04 -0.91828E-04 -0.98454E-04 1357 0.144E-02
631 T= 661. E= -.10765005E+04 F= -.10765381E+04 E0= -.10765023E+04 EK= 0.13253E+02 SP= -.13E+02 SK= 0.49E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107623466045E+04 0.30335E+00 -0.10419E+00 3327 0.107E+00 0.293E-01
RMM: 2 -0.107624005929E+04 -0.53988E-02 -0.75688E-02 4109 0.304E-01 0.213E-01
RMM: 3 -0.107624122009E+04 -0.11608E-02 -0.16173E-02 4138 0.108E-01 0.171E-01
RMM: 4 -0.107624131516E+04 -0.95072E-04 -0.43733E-03 3661 0.471E-02 0.105E-01
RMM: 5 -0.107624138023E+04 -0.65070E-04 -0.23696E-03 3096 0.280E-02 0.289E-02
RMM: 6 -0.107624149452E+04 -0.11429E-03 -0.13815E-03 2451 0.161E-02 0.210E-02
RMM: 7 -0.107624158804E+04 -0.93521E-04 -0.11496E-03 1986 0.103E-02 0.129E-02
RMM: 8 -0.107624169152E+04 -0.10347E-03 -0.11007E-03 2093 0.112E-02 0.626E-03
RMM: 9 -0.107624178796E+04 -0.96441E-04 -0.10010E-03 1812 0.899E-03 0.370E-03
RMM: 10 -0.107624187365E+04 -0.85692E-04 -0.88843E-04 1832 0.100E-02
632 T= 645. E= -.10764869E+04 F= -.10762419E+04 E0= -.10762057E+04 EK= 0.12925E+02 SP= -.13E+02 SK= 0.16E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107585910854E+04 0.38268E+00 -0.13771E+00 3341 0.121E+00 0.385E-01
RMM: 2 -0.107586433240E+04 -0.52239E-02 -0.99225E-02 4125 0.355E-01 0.265E-01
RMM: 3 -0.107586549269E+04 -0.11603E-02 -0.22592E-02 4306 0.131E-01 0.187E-01
RMM: 4 -0.107586574137E+04 -0.24868E-03 -0.78149E-03 3840 0.595E-02 0.113E-01
RMM: 5 -0.107586579125E+04 -0.49887E-04 -0.35132E-03 3185 0.293E-02 0.481E-02
RMM: 6 -0.107586602358E+04 -0.23232E-03 -0.26221E-03 2572 0.178E-02 0.232E-02
RMM: 7 -0.107586623744E+04 -0.21386E-03 -0.22973E-03 2044 0.119E-02 0.132E-02
RMM: 8 -0.107586644583E+04 -0.20839E-03 -0.21192E-03 2110 0.119E-02 0.609E-03
RMM: 9 -0.107586665629E+04 -0.21046E-03 -0.21026E-03 1901 0.100E-02 0.367E-03
RMM: 10 -0.107586685176E+04 -0.19547E-03 -0.19610E-03 1897 0.106E-02 0.219E-03
RMM: 11 -0.107586704465E+04 -0.19289E-03 -0.19557E-03 1965 0.119E-02 0.162E-03
RMM: 12 -0.107586722266E+04 -0.17802E-03 -0.18165E-03 1713 0.111E-02 0.172E-03
RMM: 13 -0.107586739743E+04 -0.17476E-03 -0.18077E-03 1543 0.126E-02 0.280E-03
RMM: 14 -0.107586756587E+04 -0.16845E-03 -0.17596E-03 1585 0.153E-02 0.379E-03
RMM: 15 -0.107586773131E+04 -0.16544E-03 -0.17309E-03 1511 0.146E-02 0.484E-03
RMM: 16 -0.107586789103E+04 -0.15972E-03 -0.16723E-03 1557 0.152E-02 0.561E-03
RMM: 17 -0.107586804434E+04 -0.15331E-03 -0.16135E-03 1460 0.146E-02 0.645E-03
RMM: 18 -0.107586819361E+04 -0.14927E-03 -0.15708E-03 1527 0.160E-02 0.719E-03
RMM: 19 -0.107586834004E+04 -0.14644E-03 -0.15350E-03 1508 0.147E-02 0.801E-03
RMM: 20 -0.107586847926E+04 -0.13922E-03 -0.14608E-03 1477 0.145E-02 0.883E-03
RMM: 21 -0.107586861732E+04 -0.13806E-03 -0.14541E-03 1528 0.155E-02 0.965E-03
RMM: 22 -0.107586874745E+04 -0.13014E-03 -0.13740E-03 1441 0.149E-02 0.105E-02
RMM: 23 -0.107586887669E+04 -0.12923E-03 -0.13728E-03 1523 0.163E-02 0.112E-02
RMM: 24 -0.107586900147E+04 -0.12478E-03 -0.13219E-03 1524 0.160E-02 0.120E-02
RMM: 25 -0.107586912321E+04 -0.12174E-03 -0.12943E-03 1479 0.153E-02 0.127E-02
RMM: 26 -0.107586923866E+04 -0.11545E-03 -0.12343E-03 1467 0.156E-02 0.134E-02
RMM: 27 -0.107586935259E+04 -0.11392E-03 -0.12201E-03 1505 0.163E-02 0.141E-02
RMM: 28 -0.107586946243E+04 -0.10985E-03 -0.11789E-03 1504 0.163E-02 0.148E-02
RMM: 29 -0.107586956942E+04 -0.10698E-03 -0.11456E-03 1505 0.159E-02 0.155E-02
RMM: 30 -0.107586967330E+04 -0.10389E-03 -0.11140E-03 1514 0.161E-02 0.161E-02
RMM: 31 -0.107586977381E+04 -0.10050E-03 -0.10795E-03 1470 0.155E-02 0.168E-02
RMM: 32 -0.107586987093E+04 -0.97122E-04 -0.10496E-03 1474 0.159E-02 0.174E-02
RMM: 33 -0.107586996489E+04 -0.93964E-04 -0.10171E-03 1472 0.159E-02 0.180E-02
RMM: 34 -0.107587005626E+04 -0.91371E-04 -0.99086E-04 1474 0.157E-02
633 T= 628. E= -.10764491E+04 F= -.10758701E+04 E0= -.10758345E+04 EK= 0.12573E+02 SP= -.13E+02 SK= 0.98E-06
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107592368846E+04 -0.53724E-01 -0.13562E+00 3361 0.117E+00 0.400E-01
RMM: 2 -0.107592849130E+04 -0.48028E-02 -0.86414E-02 4116 0.326E-01 0.291E-01
RMM: 3 -0.107592912017E+04 -0.62887E-03 -0.19594E-02 4249 0.122E-01 0.159E-01
RMM: 4 -0.107592952453E+04 -0.40436E-03 -0.62660E-03 3738 0.580E-02 0.847E-02
RMM: 5 -0.107592943856E+04 0.85971E-04 -0.22289E-03 2999 0.263E-02 0.500E-02
RMM: 6 -0.107592955211E+04 -0.11355E-03 -0.16982E-03 2681 0.183E-02 0.150E-02
RMM: 7 -0.107592968384E+04 -0.13173E-03 -0.13694E-03 2015 0.119E-02 0.973E-03
RMM: 8 -0.107592980343E+04 -0.11959E-03 -0.12452E-03 1954 0.113E-02 0.713E-03
RMM: 9 -0.107592993067E+04 -0.12723E-03 -0.13243E-03 2122 0.142E-02 0.346E-03
RMM: 10 -0.107593004919E+04 -0.11853E-03 -0.12166E-03 1914 0.109E-02 0.214E-03
RMM: 11 -0.107593016760E+04 -0.11841E-03 -0.12234E-03 1947 0.112E-02 0.189E-03
RMM: 12 -0.107593028084E+04 -0.11324E-03 -0.11842E-03 1876 0.119E-02 0.198E-03
RMM: 13 -0.107593039167E+04 -0.11083E-03 -0.11619E-03 1609 0.124E-02 0.204E-03
RMM: 14 -0.107593050297E+04 -0.11130E-03 -0.11935E-03 1677 0.156E-02 0.300E-03
RMM: 15 -0.107593061291E+04 -0.10994E-03 -0.11637E-03 1560 0.143E-02 0.328E-03
RMM: 16 -0.107593072017E+04 -0.10726E-03 -0.11406E-03 1559 0.145E-02 0.373E-03
RMM: 17 -0.107593082663E+04 -0.10645E-03 -0.11354E-03 1596 0.157E-02 0.389E-03
RMM: 18 -0.107593093269E+04 -0.10606E-03 -0.11404E-03 1666 0.162E-02 0.367E-03
RMM: 19 -0.107593103665E+04 -0.10396E-03 -0.11191E-03 1582 0.151E-02 0.326E-03
RMM: 20 -0.107593113795E+04 -0.10130E-03 -0.10846E-03 1503 0.148E-02 0.382E-03
RMM: 21 -0.107593123918E+04 -0.10123E-03 -0.10818E-03 1512 0.155E-02 0.449E-03
RMM: 22 -0.107593133902E+04 -0.99834E-04 -0.10716E-03 1517 0.151E-02 0.510E-03
RMM: 23 -0.107593143739E+04 -0.98372E-04 -0.10455E-03 1462 0.145E-02 0.576E-03
RMM: 24 -0.107593153482E+04 -0.97435E-04 -0.10452E-03 1496 0.154E-02 0.646E-03
RMM: 25 -0.107593163115E+04 -0.96328E-04 -0.10371E-03 1478 0.153E-02 0.710E-03
RMM: 26 -0.107593172633E+04 -0.95180E-04 -0.10259E-03 1490 0.151E-02 0.777E-03
RMM: 27 -0.107593181906E+04 -0.92729E-04 -0.10005E-03 1473 0.153E-02 0.844E-03
RMM: 28 -0.107593191218E+04 -0.93123E-04 -0.10094E-03 1493 0.162E-02 0.910E-03
RMM: 29 -0.107593200326E+04 -0.91082E-04 -0.98685E-04 1480 0.156E-02
634 T= 631. E= -.10764506E+04 F= -.10759320E+04 E0= -.10758971E+04 EK= 0.12650E+02 SP= -.13E+02 SK= 0.18E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107636954066E+04 -0.43763E+00 -0.10631E+00 3379 0.102E+00 0.349E-01
RMM: 2 -0.107637397142E+04 -0.44308E-02 -0.72230E-02 4073 0.284E-01 0.254E-01
RMM: 3 -0.107637477255E+04 -0.80113E-03 -0.16453E-02 4100 0.105E-01 0.154E-01
RMM: 4 -0.107637519079E+04 -0.41824E-03 -0.61449E-03 3570 0.505E-02 0.772E-02
RMM: 5 -0.107637525832E+04 -0.67531E-04 -0.30047E-03 2944 0.254E-02 0.425E-02
RMM: 6 -0.107637545793E+04 -0.19961E-03 -0.23771E-03 2411 0.166E-02 0.178E-02
RMM: 7 -0.107637566600E+04 -0.20806E-03 -0.21505E-03 2134 0.135E-02 0.895E-03
RMM: 8 -0.107637586182E+04 -0.19582E-03 -0.20015E-03 1982 0.104E-02 0.610E-03
RMM: 9 -0.107637605154E+04 -0.18972E-03 -0.19323E-03 1904 0.114E-02 0.369E-03
RMM: 10 -0.107637623708E+04 -0.18555E-03 -0.19127E-03 2162 0.145E-02 0.201E-03
RMM: 11 -0.107637641387E+04 -0.17679E-03 -0.18213E-03 1869 0.122E-02 0.175E-03
RMM: 12 -0.107637658403E+04 -0.17015E-03 -0.17638E-03 1899 0.132E-02 0.204E-03
RMM: 13 -0.107637674683E+04 -0.16280E-03 -0.16869E-03 1528 0.132E-02 0.323E-03
RMM: 14 -0.107637690764E+04 -0.16081E-03 -0.16838E-03 1662 0.163E-02 0.309E-03
RMM: 15 -0.107637706448E+04 -0.15684E-03 -0.16523E-03 1677 0.158E-02 0.314E-03
RMM: 16 -0.107637721386E+04 -0.14939E-03 -0.15542E-03 1528 0.138E-02 0.318E-03
RMM: 17 -0.107637736082E+04 -0.14695E-03 -0.15467E-03 1623 0.158E-02 0.337E-03
RMM: 18 -0.107637750208E+04 -0.14126E-03 -0.14884E-03 1564 0.152E-02 0.368E-03
RMM: 19 -0.107637764082E+04 -0.13875E-03 -0.14656E-03 1565 0.157E-02 0.438E-03
RMM: 20 -0.107637777567E+04 -0.13485E-03 -0.14218E-03 1578 0.152E-02 0.497E-03
RMM: 21 -0.107637790518E+04 -0.12951E-03 -0.13587E-03 1469 0.140E-02 0.564E-03
RMM: 22 -0.107637803222E+04 -0.12705E-03 -0.13432E-03 1514 0.155E-02 0.636E-03
RMM: 23 -0.107637815599E+04 -0.12377E-03 -0.13106E-03 1517 0.153E-02 0.707E-03
RMM: 24 -0.107637827601E+04 -0.12002E-03 -0.12740E-03 1489 0.149E-02 0.780E-03
RMM: 25 -0.107637839231E+04 -0.11630E-03 -0.12364E-03 1473 0.153E-02 0.846E-03
RMM: 26 -0.107637850693E+04 -0.11462E-03 -0.12266E-03 1526 0.165E-02 0.915E-03
RMM: 27 -0.107637861846E+04 -0.11153E-03 -0.11975E-03 1510 0.161E-02 0.980E-03
RMM: 28 -0.107637872632E+04 -0.10786E-03 -0.11526E-03 1470 0.157E-02 0.105E-02
RMM: 29 -0.107637883267E+04 -0.10635E-03 -0.11457E-03 1517 0.168E-02 0.111E-02
RMM: 30 -0.107637893601E+04 -0.10335E-03 -0.11118E-03 1500 0.161E-02 0.118E-02
RMM: 31 -0.107637903652E+04 -0.10050E-03 -0.10788E-03 1463 0.158E-02 0.124E-02
RMM: 32 -0.107637913465E+04 -0.98132E-04 -0.10588E-03 1487 0.162E-02 0.130E-02
RMM: 33 -0.107637923222E+04 -0.97573E-04 -0.10559E-03 1516 0.163E-02 0.136E-02
RMM: 34 -0.107637932506E+04 -0.92837E-04 -0.10014E-03 1433 0.152E-02 0.142E-02
RMM: 35 -0.107637941640E+04 -0.91346E-04 -0.99614E-04 1503 0.163E-02
635 T= 654. E= -.10764947E+04 F= -.10763794E+04 E0= -.10763447E+04 EK= 0.13102E+02 SP= -.13E+02 SK= 0.61E-02
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107661961086E+04 -0.24029E+00 -0.10734E+00 3344 0.104E+00 0.305E-01
RMM: 2 -0.107662529932E+04 -0.56885E-02 -0.74168E-02 4049 0.291E-01 0.241E-01
RMM: 3 -0.107662608399E+04 -0.78467E-03 -0.14616E-02 3956 0.102E-01 0.160E-01
RMM: 4 -0.107662631466E+04 -0.23067E-03 -0.51024E-03 3309 0.504E-02 0.522E-02
RMM: 5 -0.107662642470E+04 -0.11004E-03 -0.24816E-03 3214 0.273E-02 0.389E-02
RMM: 6 -0.107662652833E+04 -0.10363E-03 -0.16004E-03 2225 0.153E-02 0.233E-02
RMM: 7 -0.107662667300E+04 -0.14467E-03 -0.15470E-03 2228 0.138E-02 0.948E-03
RMM: 8 -0.107662680048E+04 -0.12748E-03 -0.13349E-03 1784 0.873E-03 0.594E-03
RMM: 9 -0.107662692105E+04 -0.12057E-03 -0.12465E-03 1731 0.929E-03 0.514E-03
RMM: 10 -0.107662704374E+04 -0.12270E-03 -0.12953E-03 2125 0.145E-02 0.441E-03
RMM: 11 -0.107662715908E+04 -0.11533E-03 -0.12175E-03 1850 0.113E-02 0.261E-03
RMM: 12 -0.107662726909E+04 -0.11002E-03 -0.11500E-03 1745 0.112E-02 0.182E-03
RMM: 13 -0.107662737522E+04 -0.10613E-03 -0.11374E-03 1605 0.140E-02 0.213E-03
RMM: 14 -0.107662747962E+04 -0.10440E-03 -0.11314E-03 1574 0.160E-02 0.285E-03
RMM: 15 -0.107662758179E+04 -0.10217E-03 -0.11012E-03 1632 0.154E-02 0.299E-03
RMM: 16 -0.107662767839E+04 -0.96603E-04 -0.10232E-03 1462 0.136E-02 0.368E-03
RMM: 17 -0.107662777079E+04 -0.92394E-04 -0.99664E-04 1479 0.155E-02
636 T= 669. E= -.10765072E+04 F= -.10766278E+04 E0= -.10765934E+04 EK= 0.13411E+02 SP= -.13E+02 SK= 0.11E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107648397505E+04 0.14370E+00 -0.13733E+00 3338 0.118E+00 0.367E-01
RMM: 2 -0.107649056851E+04 -0.65935E-02 -0.95347E-02 4119 0.335E-01 0.283E-01
RMM: 3 -0.107649123112E+04 -0.66261E-03 -0.19059E-02 4088 0.116E-01 0.173E-01
RMM: 4 -0.107649158184E+04 -0.35071E-03 -0.67780E-03 3523 0.572E-02 0.772E-02
RMM: 5 -0.107649156040E+04 0.21433E-04 -0.28383E-03 3219 0.285E-02 0.514E-02
RMM: 6 -0.107649168345E+04 -0.12305E-03 -0.18998E-03 2494 0.165E-02 0.256E-02
RMM: 7 -0.107649184433E+04 -0.16088E-03 -0.16786E-03 2202 0.124E-02 0.124E-02
RMM: 8 -0.107649198234E+04 -0.13801E-03 -0.14961E-03 1902 0.943E-03 0.706E-03
RMM: 9 -0.107649212051E+04 -0.13818E-03 -0.14268E-03 1846 0.115E-02 0.493E-03
RMM: 10 -0.107649226224E+04 -0.14173E-03 -0.15077E-03 2272 0.168E-02 0.289E-03
RMM: 11 -0.107649239273E+04 -0.13049E-03 -0.13463E-03 1813 0.101E-02 0.217E-03
RMM: 12 -0.107649251854E+04 -0.12581E-03 -0.13153E-03 1844 0.128E-02 0.271E-03
RMM: 13 -0.107649263809E+04 -0.11954E-03 -0.12505E-03 1511 0.137E-02 0.368E-03
RMM: 14 -0.107649276109E+04 -0.12300E-03 -0.13182E-03 1715 0.181E-02 0.442E-03
RMM: 15 -0.107649287660E+04 -0.11551E-03 -0.12194E-03 1482 0.132E-02 0.506E-03
RMM: 16 -0.107649298794E+04 -0.11134E-03 -0.11739E-03 1509 0.142E-02 0.608E-03
RMM: 17 -0.107649309544E+04 -0.10750E-03 -0.11574E-03 1537 0.160E-02 0.651E-03
RMM: 18 -0.107649320099E+04 -0.10556E-03 -0.11363E-03 1559 0.168E-02 0.730E-03
RMM: 19 -0.107649330491E+04 -0.10392E-03 -0.11237E-03 1575 0.167E-02 0.805E-03
RMM: 20 -0.107649340403E+04 -0.99114E-04 -0.10668E-03 1524 0.151E-02 0.868E-03
RMM: 21 -0.107649349796E+04 -0.93932E-04 -0.10102E-03 1461 0.148E-02 0.939E-03
RMM: 22 -0.107649358968E+04 -0.91716E-04 -0.99492E-04 1508 0.165E-02
637 T= 668. E= -.10764823E+04 F= -.10764936E+04 E0= -.10764593E+04 EK= 0.13391E+02 SP= -.13E+02 SK= 0.15E-01
N E dE d eps ncg rms rms(c)
RMM: 1 -0.107626373384E+04 0.22976E+00 -0.11210E+00 3393 0.110E+00 0.304E-01
RMM: 2 -0.107626982582E+04 -0.60920E-02 -0.79636E-02 4088 0.317E-01 0.230E-01
RMM: 3 -0.107627060968E+04 -0.78385E-03 -0.15728E-02 3985 0.112E-01 0.142E-01
RMM: 4 -0.107627079162E+04 -0.18195E-03 -0.52060E-03 3468 0.535E-02 0.466E-02
RMM: 5 -0.107627100376E+04 -0.21214E-03 -0.25685E-03 3139 0.257E-02 0.392E-02
RMM: 6 -0.107627111347E+04 -0.10970E-03 -0.16547E-03 2100 0.151E-02 0.233E-02
RMM: 7 -0.107627127603E+04 -0.16256E-03 -0.17741E-03 2308 0.153E-02 0.983E-03
RMM: 8 -0.107627141456E+04 -0.13853E-03 -0.14492E-03 1823 0.953E-03 0.582E-03
RMM: 9 -0.107627155633E+04 -0.14176E-03 -0.14450E-03 1751 0.956E-03 0.574E-03
RMM: 10 -0.107627168781E+04 -0.13148E-03 -0.13785E-03 2057 0.140E-02 0.456E-03
RMM: 11 -0.107627181983E+04 -0.13202E-03 -0.13947E-03 1972 0.134E-02 0.237E-03
RMM: 12 -0.107627194019E+04 -0.12036E-03 -0.12586E-03 1863 0.124E-02 0.207E-03
RMM: 13 -0.107627206216E+04 -0.12197E-03 -0.12911E-03 1755 0.143E-02 0.259E-03
RMM: 14 -0.107627217539E+04 -0.11323E-03 -0.11975E-03 1518 0.144E-02 0.372E-03
RMM: 15 -0.107627228912E+04 -0.11373E-03 -0.12217E-03 1639 0.161E-02 0.355E-03
RMM: 16 -0.107627239595E+04 -0.10682E-03 -0.11482E-03 1590 0.152E-02 0.368E-03
RMM: 17 -0.107627250274E+04 -0.10679E-03 -0.11494E-03 1574 0.155E-02 0.376E-03
RMM: 18 -0.107627260156E+04 -0.98823E-04 -0.10798E-03 1549 0.159E-02 0.383E-03
RMM: 19 -0.107627270289E+04 -0.10133E-03 -0.10937E-03 1568 0.167E-02 0.462E-03