./Stage_1/0.005_-e2 OSZICAR.out output for 742: XXX MT amorphous(poly(oxydiphenylene_pyromellitide)) from job 738
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.393389769502E+04 0.39339E+04 -0.29028E+05 896 0.111E+03
DAV: 2 -0.106039302573E+04 -0.49943E+04 -0.48087E+04 1152 0.298E+02
DAV: 3 -0.152784235100E+04 -0.46745E+03 -0.46257E+03 1032 0.967E+01
DAV: 4 -0.153965056646E+04 -0.11808E+02 -0.11758E+02 1088 0.165E+01
DAV: 5 -0.154003160534E+04 -0.38104E+00 -0.38049E+00 1112 0.277E+00 0.630E+01
DAV: 6 -0.144842149535E+04 0.91610E+02 -0.17388E+02 1008 0.197E+01 0.343E+01
DAV: 7 -0.143018961088E+04 0.18232E+02 -0.49261E+01 1056 0.114E+01 0.160E+01
DAV: 8 -0.142842804407E+04 0.17616E+01 -0.10510E+01 1048 0.496E+00 0.585E+00
DAV: 9 -0.142837386117E+04 0.54183E-01 -0.12855E+00 1048 0.237E+00 0.196E+00
DAV: 10 -0.142837151912E+04 0.23420E-02 -0.34643E-01 992 0.114E+00 0.692E-01
DAV: 11 -0.142837805296E+04 -0.65338E-02 -0.77635E-02 1016 0.491E-01 0.398E-01
DAV: 12 -0.142837896495E+04 -0.91200E-03 -0.10911E-02 1008 0.238E-01 0.231E-01
DAV: 13 -0.142837800409E+04 0.96087E-03 -0.60233E-03 968 0.211E-01 0.111E-01
DAV: 14 -0.142837634544E+04 0.16586E-02 -0.32477E-03 1080 0.153E-01 0.682E-02
DAV: 15 -0.142837582304E+04 0.52241E-03 -0.14476E-03 1040 0.872E-02 0.417E-02
DAV: 16 -0.142837565506E+04 0.16797E-03 -0.22825E-04 1088 0.379E-02 0.248E-02
DAV: 17 -0.142837558604E+04 0.69027E-04 -0.40192E-05 1000 0.254E-02 0.122E-02
DAV: 18 -0.142837555847E+04 0.27567E-04 -0.20445E-05 888 0.219E-02 0.678E-03
DAV: 19 -0.142837555020E+04 0.82696E-05 -0.33744E-05 1000 0.169E-02
1 F= -.14283756E+04 E0= -.14283925E+04 d E =-.142838E+04
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142815178640E+04 0.22377E+00 -0.25400E+01 912 0.827E+00 0.149E+00
DAV: 2 -0.142822387602E+04 -0.72090E-01 -0.10061E+00 1072 0.139E+00 0.890E-01
DAV: 3 -0.142821225598E+04 0.11620E-01 -0.26855E-02 1040 0.318E-01 0.559E-01
DAV: 4 -0.142820873926E+04 0.35167E-02 -0.18064E-02 1032 0.257E-01 0.190E-01
DAV: 5 -0.142820881186E+04 -0.72604E-04 -0.43258E-03 1040 0.126E-01 0.822E-02
DAV: 6 -0.142820872520E+04 0.86661E-04 -0.46060E-04 1008 0.447E-02 0.437E-02
DAV: 7 -0.142820866069E+04 0.64517E-04 -0.11362E-04 1064 0.265E-02 0.250E-02
DAV: 8 -0.142820861041E+04 0.50276E-04 -0.21611E-05 848 0.226E-02 0.113E-02
DAV: 9 -0.142820857273E+04 0.37678E-04 -0.32187E-05 896 0.252E-02 0.712E-03
DAV: 10 -0.142820855262E+04 0.20112E-04 -0.38511E-05 936 0.255E-02 0.559E-03
DAV: 11 -0.142820854616E+04 0.64617E-05 -0.32217E-05 888 0.213E-02
2 F= -.14282085E+04 E0= -.14282228E+04 d E =0.167004E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142835386752E+04 -0.14531E+00 -0.16078E+01 912 0.658E+00 0.118E+00
DAV: 2 -0.142839699240E+04 -0.43125E-01 -0.59873E-01 1072 0.109E+00 0.690E-01
DAV: 3 -0.142838986268E+04 0.71297E-02 -0.17231E-02 1032 0.253E-01 0.413E-01
DAV: 4 -0.142838800928E+04 0.18534E-02 -0.10149E-02 1032 0.191E-01 0.138E-01
DAV: 5 -0.142838807688E+04 -0.67599E-04 -0.22030E-03 1040 0.851E-02 0.614E-02
DAV: 6 -0.142838804120E+04 0.35686E-04 -0.21093E-04 1040 0.293E-02 0.309E-02
DAV: 7 -0.142838801603E+04 0.25168E-04 -0.51730E-05 1064 0.172E-02 0.172E-02
DAV: 8 -0.142838799919E+04 0.16836E-04 -0.10102E-05 696 0.130E-02 0.766E-03
DAV: 9 -0.142838798550E+04 0.13696E-04 -0.11737E-05 728 0.149E-02 0.483E-03
DAV: 10 -0.142838797665E+04 0.88421E-05 -0.18418E-05 776 0.157E-02
3 F= -.14283880E+04 E0= -.14284037E+04 d E =-.124265E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142839344930E+04 -0.54638E-02 -0.47066E+00 896 0.373E+00 0.616E-01
DAV: 2 -0.142840347550E+04 -0.10026E-01 -0.13976E-01 1024 0.573E-01 0.408E-01
DAV: 3 -0.142840174121E+04 0.17343E-02 -0.48078E-03 1024 0.154E-01 0.252E-01
DAV: 4 -0.142840157922E+04 0.16198E-03 -0.43656E-03 1000 0.117E-01 0.950E-02
DAV: 5 -0.142840155910E+04 0.20118E-04 -0.51805E-04 1096 0.505E-02 0.472E-02
DAV: 6 -0.142840155032E+04 0.87888E-05 -0.14602E-04 1064 0.236E-02 0.245E-02
DAV: 7 -0.142840154173E+04 0.85827E-05 -0.20961E-05 760 0.116E-02
4 F= -.14284015E+04 E0= -.14284179E+04 d E =-.135651E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142840228463E+04 -0.73431E-03 -0.22638E-01 912 0.819E-01 0.134E-01
DAV: 2 -0.142840276033E+04 -0.47570E-03 -0.64819E-03 1024 0.123E-01 0.884E-02
DAV: 3 -0.142840268191E+04 0.78427E-04 -0.22089E-04 1024 0.331E-02 0.546E-02
DAV: 4 -0.142840267733E+04 0.45772E-05 -0.20100E-04 1016 0.253E-02 0.203E-02
DAV: 5 -0.142840267685E+04 0.48219E-06 -0.24369E-05 696 0.113E-02
5 F= -.14284027E+04 E0= -.14284191E+04 d E =-.147002E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142838518663E+04 0.17491E-01 -0.45607E+00 896 0.363E+00 0.564E-01
DAV: 2 -0.142839411667E+04 -0.89300E-02 -0.13147E-01 1072 0.538E-01 0.336E-01
DAV: 3 -0.142839274999E+04 0.13667E-02 -0.38393E-03 1048 0.129E-01 0.207E-01
DAV: 4 -0.142839257136E+04 0.17863E-03 -0.29813E-03 1032 0.999E-02 0.770E-02
DAV: 5 -0.142839257732E+04 -0.59577E-05 -0.48882E-04 1024 0.447E-02 0.336E-02
DAV: 6 -0.142839257580E+04 0.15235E-05 -0.80795E-05 1016 0.158E-02
6 F= -.14283926E+04 E0= -.14284088E+04 d E =0.101010E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142840401312E+04 -0.11436E-01 -0.18966E+00 896 0.234E+00 0.360E-01
DAV: 2 -0.142840768051E+04 -0.36674E-02 -0.53460E-02 1072 0.344E-01 0.214E-01
DAV: 3 -0.142840713678E+04 0.54373E-03 -0.15689E-03 1048 0.816E-02 0.132E-01
DAV: 4 -0.142840708004E+04 0.56744E-04 -0.12232E-03 1032 0.632E-02 0.485E-02
DAV: 5 -0.142840708149E+04 -0.14465E-05 -0.19040E-04 1016 0.277E-02 0.213E-02
DAV: 6 -0.142840708286E+04 -0.13777E-05 -0.30762E-05 776 0.976E-03
7 F= -.14284071E+04 E0= -.14284234E+04 d E =-.440602E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142840824852E+04 -0.11670E-02 -0.48607E-01 896 0.120E+00 0.165E-01
DAV: 2 -0.142840922229E+04 -0.97377E-03 -0.12694E-02 1056 0.173E-01 0.101E-01
DAV: 3 -0.142840913867E+04 0.83616E-04 -0.47958E-04 1072 0.400E-02 0.620E-02
DAV: 4 -0.142840911848E+04 0.20194E-04 -0.16802E-04 1032 0.258E-02 0.233E-02
DAV: 5 -0.142840911654E+04 0.19406E-05 -0.30058E-05 808 0.132E-02
8 F= -.14284091E+04 E0= -.14284255E+04 d E =-.203368E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142840913394E+04 -0.15460E-04 -0.49065E-03 912 0.120E-01 0.161E-02
DAV: 2 -0.142840914191E+04 -0.79702E-05 -0.12378E-04 1048 0.176E-02 0.109E-02
DAV: 3 -0.142840914068E+04 0.12323E-05 -0.56214E-06 536 0.464E-03
9 F= -.14284091E+04 E0= -.14284256E+04 d E =-.205781E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142841015267E+04 -0.10108E-02 -0.29242E-01 896 0.918E-01 0.120E-01
DAV: 2 -0.142841074476E+04 -0.59210E-03 -0.73492E-03 1032 0.127E-01 0.790E-02
DAV: 3 -0.142841070151E+04 0.43255E-04 -0.22629E-04 1080 0.292E-02 0.498E-02
DAV: 4 -0.142841068904E+04 0.12463E-04 -0.10988E-04 1000 0.203E-02 0.165E-02
DAV: 5 -0.142841068895E+04 0.94893E-07 -0.18863E-05 632 0.974E-03
10 F= -.14284107E+04 E0= -.14284271E+04 d E =-.154827E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142841071214E+04 -0.23101E-04 -0.11920E-02 912 0.185E-01 0.256E-02
DAV: 2 -0.142841073730E+04 -0.25156E-04 -0.30373E-04 1040 0.256E-02 0.161E-02
DAV: 3 -0.142841073550E+04 0.18001E-05 -0.70274E-06 520 0.584E-03
11 F= -.14284107E+04 E0= -.14284272E+04 d E =-.159482E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142841153281E+04 -0.79551E-03 -0.28028E-01 896 0.895E-01 0.118E-01
DAV: 2 -0.142841209235E+04 -0.55954E-03 -0.67990E-03 1040 0.121E-01 0.691E-02
DAV: 3 -0.142841206639E+04 0.25960E-04 -0.19782E-04 1064 0.260E-02 0.422E-02
DAV: 4 -0.142841206448E+04 0.19157E-05 -0.66874E-05 976 0.165E-02
12 F= -.14284121E+04 E0= -.14284285E+04 d E =-.132898E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142841211822E+04 -0.51828E-04 -0.15311E-02 912 0.209E-01 0.308E-02
DAV: 2 -0.142841214814E+04 -0.29916E-04 -0.37033E-04 1040 0.285E-02 0.171E-02
DAV: 3 -0.142841214660E+04 0.15389E-05 -0.93067E-06 568 0.653E-03
13 F= -.14284121E+04 E0= -.14284286E+04 d E =-.141110E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142841267782E+04 -0.52968E-03 -0.95417E-02 896 0.522E-01 0.706E-02
DAV: 2 -0.142841286421E+04 -0.18639E-03 -0.23854E-03 1056 0.737E-02 0.424E-02
DAV: 3 -0.142841285101E+04 0.13196E-04 -0.75669E-05 1048 0.167E-02 0.255E-02
DAV: 4 -0.142841284887E+04 0.21415E-05 -0.31478E-05 824 0.116E-02
14 F= -.14284128E+04 E0= -.14284292E+04 d E =-.702275E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142841290099E+04 -0.49975E-04 -0.19159E-02 912 0.234E-01 0.334E-02
DAV: 2 -0.142841293895E+04 -0.37962E-04 -0.48343E-04 1064 0.334E-02 0.197E-02
DAV: 3 -0.142841293603E+04 0.29221E-05 -0.13349E-05 568 0.796E-03
15 F= -.14284129E+04 E0= -.14284292E+04 d E =-.789432E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142841332379E+04 -0.38484E-03 -0.92940E-02 896 0.514E-01 0.666E-02
DAV: 2 -0.142841349778E+04 -0.17399E-03 -0.21467E-03 1032 0.683E-02 0.417E-02
DAV: 3 -0.142841348823E+04 0.95475E-05 -0.60408E-05 1032 0.147E-02
16 F= -.14284135E+04 E0= -.14284297E+04 d E =-.552205E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142841353152E+04 -0.33739E-04 -0.38707E-02 896 0.331E-01 0.467E-02
DAV: 2 -0.142841359575E+04 -0.64233E-04 -0.84129E-04 1032 0.431E-02 0.292E-02
DAV: 3 -0.142841359211E+04 0.36427E-05 -0.26775E-05 720 0.100E-02
17 F= -.14284136E+04 E0= -.14284298E+04 d E =-.656082E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142841395361E+04 -0.35785E-03 -0.67112E-02 896 0.436E-01 0.566E-02
DAV: 2 -0.142841407585E+04 -0.12225E-03 -0.14993E-03 1024 0.575E-02 0.347E-02
DAV: 3 -0.142841407119E+04 0.46618E-05 -0.38704E-05 904 0.118E-02
18 F= -.14284141E+04 E0= -.14284303E+04 d E =-.479082E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142841403769E+04 0.38167E-04 -0.20175E-01 896 0.756E-01 0.975E-02
DAV: 2 -0.142841440237E+04 -0.36468E-03 -0.44995E-03 1032 0.995E-02 0.600E-02
DAV: 3 -0.142841438744E+04 0.14930E-04 -0.12085E-04 1072 0.205E-02 0.360E-02
DAV: 4 -0.142841438775E+04 -0.31402E-06 -0.54479E-05 936 0.159E-02
19 F= -.14284144E+04 E0= -.14284307E+04 d E =-.795641E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142841472787E+04 -0.34044E-03 -0.81796E-02 896 0.479E-01 0.612E-02
DAV: 2 -0.142841487160E+04 -0.14373E-03 -0.17780E-03 1024 0.626E-02 0.378E-02
DAV: 3 -0.142841486514E+04 0.64645E-05 -0.44445E-05 944 0.132E-02
20 F= -.14284149E+04 E0= -.14284311E+04 d E =-.477386E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142841460360E+04 0.26800E-03 -0.35366E-01 896 0.997E-01 0.127E-01
DAV: 2 -0.142841520063E+04 -0.59703E-03 -0.74658E-03 1024 0.128E-01 0.792E-02
DAV: 3 -0.142841517282E+04 0.27808E-04 -0.19959E-04 1064 0.268E-02 0.470E-02
DAV: 4 -0.142841517519E+04 -0.23652E-05 -0.87249E-05 1024 0.198E-02
21 F= -.14284152E+04 E0= -.14284313E+04 d E =-.787437E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142841513889E+04 0.33933E-04 -0.27627E-02 896 0.279E-01 0.322E-02
DAV: 2 -0.142841518669E+04 -0.47795E-04 -0.59420E-04 1024 0.361E-02 0.215E-02
DAV: 3 -0.142841518326E+04 0.34254E-05 -0.13487E-05 592 0.713E-03
22 F= -.14284152E+04 E0= -.14284314E+04 d E =-.795508E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142841558103E+04 -0.39434E-03 -0.90551E-02 896 0.507E-01 0.630E-02
DAV: 2 -0.142841574166E+04 -0.16063E-03 -0.20420E-03 1024 0.679E-02 0.404E-02
DAV: 3 -0.142841573081E+04 0.10847E-04 -0.57174E-05 1024 0.147E-02 0.243E-02
DAV: 4 -0.142841572982E+04 0.98589E-06 -0.21727E-05 616 0.987E-03
23 F= -.14284157E+04 E0= -.14284319E+04 d E =-.546564E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142841578772E+04 -0.56909E-04 -0.12499E-01 896 0.595E-01 0.770E-02
DAV: 2 -0.142841600233E+04 -0.21462E-03 -0.27531E-03 1032 0.789E-02 0.485E-02
DAV: 3 -0.142841598873E+04 0.13601E-04 -0.79043E-05 1072 0.175E-02 0.289E-02
DAV: 4 -0.142841598882E+04 -0.82524E-07 -0.32245E-05 824 0.116E-02
24 F= -.14284160E+04 E0= -.14284321E+04 d E =-.805556E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142841631045E+04 -0.32171E-03 -0.12310E-01 896 0.592E-01 0.759E-02
DAV: 2 -0.142841652715E+04 -0.21670E-03 -0.27319E-03 1032 0.782E-02 0.496E-02
DAV: 3 -0.142841651254E+04 0.14605E-04 -0.71864E-05 1072 0.173E-02 0.301E-02
DAV: 4 -0.142841651238E+04 0.16717E-06 -0.37935E-05 864 0.127E-02
25 F= -.14284165E+04 E0= -.14284326E+04 d E =-.523559E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142841653638E+04 -0.23842E-04 -0.95408E-02 896 0.521E-01 0.669E-02
DAV: 2 -0.142841670539E+04 -0.16901E-03 -0.21226E-03 1032 0.689E-02 0.436E-02
DAV: 3 -0.142841669407E+04 0.11322E-04 -0.54216E-05 1016 0.152E-02 0.266E-02
DAV: 4 -0.142841669400E+04 0.69616E-07 -0.30004E-05 792 0.114E-02
26 F= -.14284167E+04 E0= -.14284328E+04 d E =-.705182E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142841699946E+04 -0.30539E-03 -0.96489E-02 896 0.523E-01 0.678E-02
DAV: 2 -0.142841717072E+04 -0.17126E-03 -0.21759E-03 1016 0.697E-02 0.435E-02
DAV: 3 -0.142841715903E+04 0.11684E-04 -0.57772E-05 1032 0.152E-02 0.262E-02
DAV: 4 -0.142841715878E+04 0.25224E-06 -0.28458E-05 768 0.113E-02
27 F= -.14284172E+04 E0= -.14284332E+04 d E =-.464782E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142841715441E+04 0.46225E-05 -0.14668E-01 896 0.644E-01 0.834E-02
DAV: 2 -0.142841741541E+04 -0.26100E-03 -0.33019E-03 1016 0.858E-02 0.536E-02
DAV: 3 -0.142841739788E+04 0.17535E-04 -0.86616E-05 1072 0.186E-02 0.324E-02
DAV: 4 -0.142841739752E+04 0.35929E-06 -0.44125E-05 904 0.139E-02
28 F= -.14284174E+04 E0= -.14284335E+04 d E =-.703520E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142841768705E+04 -0.28918E-03 -0.11670E-01 896 0.574E-01 0.731E-02
DAV: 2 -0.142841788747E+04 -0.20041E-03 -0.25199E-03 1016 0.751E-02 0.481E-02
DAV: 3 -0.142841787390E+04 0.13566E-04 -0.63411E-05 1056 0.162E-02 0.290E-02
DAV: 4 -0.142841787387E+04 0.29606E-07 -0.36530E-05 856 0.121E-02
29 F= -.14284179E+04 E0= -.14284339E+04 d E =-.476355E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142841796492E+04 -0.91016E-04 -0.24425E-02 896 0.262E-01 0.343E-02
DAV: 2 -0.142841800738E+04 -0.42457E-04 -0.53478E-04 1024 0.346E-02 0.223E-02
DAV: 3 -0.142841800428E+04 0.30970E-05 -0.11139E-05 584 0.756E-03
30 F= -.14284180E+04 E0= -.14284340E+04 d E =-.606761E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142841795491E+04 0.52468E-04 -0.96182E-02 896 0.521E-01 0.667E-02
DAV: 2 -0.142841811246E+04 -0.15755E-03 -0.20199E-03 1024 0.672E-02 0.439E-02
DAV: 3 -0.142841810198E+04 0.10479E-04 -0.52696E-05 1008 0.144E-02 0.261E-02
DAV: 4 -0.142841810191E+04 0.71414E-07 -0.29389E-05 800 0.111E-02
31 F= -.14284181E+04 E0= -.14284341E+04 d E =-.704392E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142841832826E+04 -0.22627E-03 -0.11646E-01 896 0.571E-01 0.724E-02
DAV: 2 -0.142841852410E+04 -0.19584E-03 -0.24598E-03 1008 0.736E-02 0.471E-02
DAV: 3 -0.142841851135E+04 0.12745E-04 -0.56944E-05 1016 0.154E-02 0.280E-02
DAV: 4 -0.142841851189E+04 -0.53761E-06 -0.34146E-05 832 0.117E-02
32 F= -.14284185E+04 E0= -.14284345E+04 d E =-.409979E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142841861070E+04 -0.99351E-04 -0.29676E-02 896 0.288E-01 0.374E-02
DAV: 2 -0.142841866116E+04 -0.50459E-04 -0.63342E-04 1016 0.374E-02 0.240E-02
DAV: 3 -0.142841865775E+04 0.34087E-05 -0.12705E-05 648 0.794E-03
33 F= -.14284187E+04 E0= -.14284346E+04 d E =-.555843E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142841865236E+04 0.88041E-05 -0.11686E-01 896 0.572E-01 0.732E-02
DAV: 2 -0.142841883958E+04 -0.18722E-03 -0.23968E-03 1016 0.727E-02 0.475E-02
DAV: 3 -0.142841882771E+04 0.11871E-04 -0.58638E-05 1016 0.151E-02 0.278E-02
DAV: 4 -0.142841882853E+04 -0.82339E-06 -0.32549E-05 816 0.115E-02
34 F= -.14284188E+04 E0= -.14284348E+04 d E =-.726620E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142841911060E+04 -0.28289E-03 -0.42659E-02 896 0.350E-01 0.463E-02
DAV: 2 -0.142841919114E+04 -0.80542E-04 -0.10327E-03 1024 0.488E-02 0.308E-02
DAV: 3 -0.142841918333E+04 0.78051E-05 -0.27108E-05 792 0.112E-02
35 F= -.14284192E+04 E0= -.14284352E+04 d E =-.354803E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142841920571E+04 -0.14574E-04 -0.45445E-02 896 0.362E-01 0.501E-02
DAV: 2 -0.142841928223E+04 -0.76512E-04 -0.10342E-03 1032 0.490E-02 0.331E-02
DAV: 3 -0.142841927412E+04 0.81099E-05 -0.30166E-05 824 0.116E-02
36 F= -.14284193E+04 E0= -.14284354E+04 d E =-.445585E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142841944709E+04 -0.16487E-03 -0.29760E-02 896 0.291E-01 0.394E-02
DAV: 2 -0.142841949474E+04 -0.47652E-04 -0.61558E-04 1032 0.373E-02 0.260E-02
DAV: 3 -0.142841949080E+04 0.39462E-05 -0.16385E-05 672 0.876E-03
37 F= -.14284195E+04 E0= -.14284356E+04 d E =-.216681E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142841948300E+04 0.11741E-04 -0.10706E-01 896 0.551E-01 0.714E-02
DAV: 2 -0.142841966058E+04 -0.17758E-03 -0.22512E-03 1032 0.711E-02 0.482E-02
DAV: 3 -0.142841964569E+04 0.14892E-04 -0.62441E-05 1040 0.162E-02 0.286E-02
DAV: 4 -0.142841964510E+04 0.59012E-06 -0.33105E-05 840 0.116E-02
38 F= -.14284196E+04 E0= -.14284357E+04 d E =-.370981E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142841992610E+04 -0.28041E-03 -0.41213E-02 896 0.342E-01 0.452E-02
DAV: 2 -0.142841999719E+04 -0.71092E-04 -0.93558E-04 1040 0.466E-02 0.298E-02
DAV: 3 -0.142841999112E+04 0.60757E-05 -0.27918E-05 784 0.106E-02
39 F= -.14284200E+04 E0= -.14284360E+04 d E =-.346018E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842002162E+04 -0.24430E-04 -0.71273E-02 896 0.450E-01 0.613E-02
DAV: 2 -0.142842013550E+04 -0.11388E-03 -0.15573E-03 1040 0.602E-02 0.405E-02
DAV: 3 -0.142842012531E+04 0.10192E-04 -0.52862E-05 1016 0.137E-02 0.235E-02
DAV: 4 -0.142842012376E+04 0.15507E-05 -0.20225E-05 624 0.100E-02
40 F= -.14284201E+04 E0= -.14284360E+04 d E =-.478664E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842034906E+04 -0.22375E-03 -0.52028E-02 896 0.385E-01 0.506E-02
DAV: 2 -0.142842043863E+04 -0.89569E-04 -0.11492E-03 1032 0.516E-02 0.336E-02
DAV: 3 -0.142842043171E+04 0.69180E-05 -0.32602E-05 824 0.117E-02
41 F= -.14284204E+04 E0= -.14284363E+04 d E =-.307947E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842039704E+04 0.41588E-04 -0.11441E-01 896 0.572E-01 0.771E-02
DAV: 2 -0.142842057992E+04 -0.18288E-03 -0.24293E-03 1032 0.750E-02 0.512E-02
DAV: 3 -0.142842056603E+04 0.13887E-04 -0.78870E-05 1064 0.171E-02 0.303E-02
DAV: 4 -0.142842056586E+04 0.16357E-06 -0.38495E-05 856 0.125E-02
42 F= -.14284206E+04 E0= -.14284364E+04 d E =-.442103E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842077118E+04 -0.20515E-03 -0.74909E-02 896 0.463E-01 0.604E-02
DAV: 2 -0.142842090921E+04 -0.13803E-03 -0.17339E-03 1040 0.624E-02 0.398E-02
DAV: 3 -0.142842089848E+04 0.10736E-04 -0.43184E-05 936 0.134E-02 0.239E-02
DAV: 4 -0.142842089751E+04 0.97247E-06 -0.24742E-05 672 0.105E-02
43 F= -.14284209E+04 E0= -.14284368E+04 d E =-.331641E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842091229E+04 -0.13807E-04 -0.32430E-02 896 0.304E-01 0.401E-02
DAV: 2 -0.142842097225E+04 -0.59969E-04 -0.75206E-04 1040 0.411E-02 0.261E-02
DAV: 3 -0.142842096743E+04 0.48223E-05 -0.16404E-05 640 0.888E-03
44 F= -.14284210E+04 E0= -.14284370E+04 d E =-.401566E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842122436E+04 -0.25211E-03 -0.44380E-02 896 0.357E-01 0.469E-02
DAV: 2 -0.142842129505E+04 -0.70684E-04 -0.93980E-04 1032 0.467E-02 0.309E-02
DAV: 3 -0.142842128835E+04 0.66954E-05 -0.27016E-05 776 0.108E-02
45 F= -.14284213E+04 E0= -.14284373E+04 d E =-.320919E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842132529E+04 -0.30244E-04 -0.43936E-02 896 0.355E-01 0.478E-02
DAV: 2 -0.142842139309E+04 -0.67800E-04 -0.91200E-04 1032 0.461E-02 0.312E-02
DAV: 3 -0.142842138676E+04 0.63272E-05 -0.26892E-05 800 0.107E-02
46 F= -.14284214E+04 E0= -.14284374E+04 d E =-.419332E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842157270E+04 -0.17961E-03 -0.57353E-02 896 0.403E-01 0.537E-02
DAV: 2 -0.142842166440E+04 -0.91705E-04 -0.12176E-03 1032 0.526E-02 0.350E-02
DAV: 3 -0.142842165609E+04 0.83184E-05 -0.33691E-05 848 0.122E-02
47 F= -.14284217E+04 E0= -.14284376E+04 d E =-.269322E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842166219E+04 0.22156E-05 -0.46813E-02 896 0.364E-01 0.498E-02
DAV: 2 -0.142842173406E+04 -0.71876E-04 -0.97224E-04 1032 0.471E-02 0.322E-02
DAV: 3 -0.142842172735E+04 0.67104E-05 -0.27494E-05 800 0.111E-02
48 F= -.14284217E+04 E0= -.14284376E+04 d E =-.340590E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842193134E+04 -0.19728E-03 -0.55700E-02 896 0.398E-01 0.545E-02
DAV: 2 -0.142842202155E+04 -0.90212E-04 -0.12106E-03 1016 0.531E-02 0.343E-02
DAV: 3 -0.142842201447E+04 0.70860E-05 -0.36738E-05 928 0.118E-02
49 F= -.14284220E+04 E0= -.14284379E+04 d E =-.287112E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842199636E+04 0.25189E-04 -0.10136E-01 896 0.536E-01 0.737E-02
DAV: 2 -0.142842215975E+04 -0.16338E-03 -0.21962E-03 1016 0.715E-02 0.466E-02
DAV: 3 -0.142842214682E+04 0.12927E-04 -0.68715E-05 1072 0.160E-02 0.271E-02
DAV: 4 -0.142842214651E+04 0.31153E-06 -0.29540E-05 800 0.113E-02
50 F= -.14284221E+04 E0= -.14284381E+04 d E =-.419155E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842230928E+04 -0.16247E-03 -0.67627E-02 896 0.437E-01 0.580E-02
DAV: 2 -0.142842242372E+04 -0.11444E-03 -0.15058E-03 1008 0.589E-02 0.384E-02
DAV: 3 -0.142842241370E+04 0.10022E-04 -0.43212E-05 976 0.134E-02 0.232E-02
DAV: 4 -0.142842241282E+04 0.88682E-06 -0.24816E-05 688 0.100E-02
51 F= -.14284224E+04 E0= -.14284384E+04 d E =-.266308E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842242476E+04 -0.11055E-04 -0.31508E-02 896 0.298E-01 0.402E-02
DAV: 2 -0.142842247838E+04 -0.53627E-04 -0.70583E-04 1008 0.404E-02 0.265E-02
DAV: 3 -0.142842247355E+04 0.48367E-05 -0.18307E-05 688 0.923E-03
52 F= -.14284225E+04 E0= -.14284385E+04 d E =-.327039E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842269698E+04 -0.21860E-03 -0.51874E-02 896 0.383E-01 0.509E-02
DAV: 2 -0.142842277694E+04 -0.79959E-04 -0.10665E-03 1032 0.496E-02 0.331E-02
DAV: 3 -0.142842276990E+04 0.70450E-05 -0.30073E-05 824 0.114E-02
53 F= -.14284228E+04 E0= -.14284388E+04 d E =-.296348E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842276148E+04 0.15465E-04 -0.11482E-01 896 0.569E-01 0.754E-02
DAV: 2 -0.142842293952E+04 -0.17805E-03 -0.23459E-03 1032 0.732E-02 0.491E-02
DAV: 3 -0.142842292437E+04 0.15152E-04 -0.68871E-05 1072 0.166E-02 0.282E-02
DAV: 4 -0.142842292364E+04 0.72648E-06 -0.32546E-05 840 0.118E-02
54 F= -.14284229E+04 E0= -.14284388E+04 d E =-.450096E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842307768E+04 -0.15331E-03 -0.37015E-02 896 0.322E-01 0.421E-02
DAV: 2 -0.142842313887E+04 -0.61185E-04 -0.77242E-04 1032 0.416E-02 0.271E-02
DAV: 3 -0.142842313419E+04 0.46782E-05 -0.16816E-05 656 0.924E-03
55 F= -.14284231E+04 E0= -.14284390E+04 d E =-.210547E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842289252E+04 0.24634E-03 -0.32980E-01 896 0.962E-01 0.124E-01
DAV: 2 -0.142842341482E+04 -0.52230E-03 -0.67119E-03 1032 0.122E-01 0.809E-02
DAV: 3 -0.142842337527E+04 0.39546E-04 -0.17156E-04 1096 0.265E-02 0.464E-02
DAV: 4 -0.142842337448E+04 0.79135E-06 -0.80530E-05 992 0.176E-02
56 F= -.14284234E+04 E0= -.14284393E+04 d E =-.450840E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842334552E+04 0.29757E-04 -0.18564E-02 896 0.229E-01 0.274E-02
DAV: 2 -0.142842337339E+04 -0.27871E-04 -0.37943E-04 992 0.292E-02 0.187E-02
DAV: 3 -0.142842337039E+04 0.30028E-05 -0.89222E-06 536 0.615E-03
57 F= -.14284234E+04 E0= -.14284393E+04 d E =-.446743E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842359142E+04 -0.21804E-03 -0.44047E-02 896 0.354E-01 0.441E-02
DAV: 2 -0.142842366792E+04 -0.76493E-04 -0.97108E-04 1008 0.472E-02 0.303E-02
DAV: 3 -0.142842366089E+04 0.70241E-05 -0.24376E-05 768 0.105E-02
58 F= -.14284237E+04 E0= -.14284396E+04 d E =-.290507E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842368602E+04 -0.18103E-04 -0.70835E-02 896 0.449E-01 0.599E-02
DAV: 2 -0.142842379783E+04 -0.11181E-03 -0.14693E-03 1016 0.582E-02 0.402E-02
DAV: 3 -0.142842378818E+04 0.96471E-05 -0.43285E-05 992 0.134E-02
59 F= -.14284238E+04 E0= -.14284398E+04 d E =-.417795E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842396239E+04 -0.16456E-03 -0.44662E-02 896 0.355E-01 0.487E-02
DAV: 2 -0.142842403004E+04 -0.67648E-04 -0.90127E-04 1048 0.458E-02 0.312E-02
DAV: 3 -0.142842402501E+04 0.50291E-05 -0.25071E-05 768 0.103E-02
60 F= -.14284240E+04 E0= -.14284400E+04 d E =-.236828E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842389040E+04 0.13964E-03 -0.21470E-01 896 0.777E-01 0.102E-01
DAV: 2 -0.142842422967E+04 -0.33927E-03 -0.44115E-03 1040 0.101E-01 0.662E-02
DAV: 3 -0.142842420343E+04 0.26236E-04 -0.12079E-04 1080 0.221E-02 0.387E-02
DAV: 4 -0.142842420375E+04 -0.31648E-06 -0.61846E-05 1000 0.157E-02
61 F= -.14284242E+04 E0= -.14284402E+04 d E =-.415569E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842418502E+04 0.18412E-04 -0.13932E-02 896 0.198E-01 0.240E-02
DAV: 2 -0.142842420546E+04 -0.20434E-04 -0.28677E-04 1000 0.257E-02 0.164E-02
DAV: 3 -0.142842420299E+04 0.24721E-05 -0.75727E-06 504 0.560E-03
62 F= -.14284242E+04 E0= -.14284402E+04 d E =-.414804E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842440837E+04 -0.20292E-03 -0.44884E-02 896 0.355E-01 0.448E-02
DAV: 2 -0.142842448366E+04 -0.75285E-04 -0.98229E-04 1032 0.476E-02 0.298E-02
DAV: 3 -0.142842447630E+04 0.73652E-05 -0.24464E-05 760 0.105E-02
63 F= -.14284245E+04 E0= -.14284404E+04 d E =-.273310E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842449238E+04 -0.87160E-05 -0.63884E-02 896 0.424E-01 0.572E-02
DAV: 2 -0.142842458936E+04 -0.96984E-04 -0.13174E-03 1048 0.553E-02 0.371E-02
DAV: 3 -0.142842458018E+04 0.91813E-05 -0.37664E-05 904 0.127E-02
64 F= -.14284246E+04 E0= -.14284404E+04 d E =-.377194E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842474742E+04 -0.15806E-03 -0.44517E-02 896 0.353E-01 0.479E-02
DAV: 2 -0.142842481302E+04 -0.65599E-04 -0.88537E-04 1032 0.451E-02 0.313E-02
DAV: 3 -0.142842480773E+04 0.52916E-05 -0.23226E-05 760 0.106E-02
65 F= -.14284248E+04 E0= -.14284407E+04 d E =-.227550E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842465294E+04 0.16008E-03 -0.25701E-01 896 0.849E-01 0.110E-01
DAV: 2 -0.142842505172E+04 -0.39878E-03 -0.52214E-03 1032 0.109E-01 0.733E-02
DAV: 3 -0.142842501966E+04 0.32054E-04 -0.14106E-04 1088 0.249E-02 0.434E-02
DAV: 4 -0.142842502075E+04 -0.10829E-05 -0.84507E-05 1000 0.176E-02
66 F= -.14284250E+04 E0= -.14284409E+04 d E =-.440567E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842519156E+04 -0.17190E-03 -0.42266E-02 896 0.344E-01 0.467E-02
DAV: 2 -0.142842526362E+04 -0.72059E-04 -0.92451E-04 1032 0.457E-02 0.291E-02
DAV: 3 -0.142842525850E+04 0.51168E-05 -0.20436E-05 712 0.100E-02
67 F= -.14284253E+04 E0= -.14284412E+04 d E =-.237755E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842497303E+04 0.29059E-03 -0.37531E-01 896 0.102E+00 0.136E-01
DAV: 2 -0.142842558337E+04 -0.61034E-03 -0.79608E-03 1040 0.134E-01 0.861E-02
DAV: 3 -0.142842553835E+04 0.45024E-04 -0.20050E-04 1096 0.283E-02 0.498E-02
DAV: 4 -0.142842553863E+04 -0.28257E-06 -0.99293E-05 1000 0.200E-02
68 F= -.14284255E+04 E0= -.14284415E+04 d E =-.517886E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842549742E+04 0.40929E-04 -0.23491E-02 896 0.257E-01 0.316E-02
DAV: 2 -0.142842553455E+04 -0.37130E-04 -0.49764E-04 1000 0.334E-02 0.212E-02
DAV: 3 -0.142842553075E+04 0.37960E-05 -0.11039E-05 576 0.678E-03
69 F= -.14284255E+04 E0= -.14284415E+04 d E =-.510009E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842576477E+04 -0.23022E-03 -0.39351E-02 896 0.333E-01 0.422E-02
DAV: 2 -0.142842583413E+04 -0.69362E-04 -0.88896E-04 1040 0.450E-02 0.279E-02
DAV: 3 -0.142842582798E+04 0.61572E-05 -0.21723E-05 696 0.100E-02
70 F= -.14284258E+04 E0= -.14284418E+04 d E =-.297221E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842581224E+04 0.21893E-04 -0.16961E-01 896 0.692E-01 0.926E-02
DAV: 2 -0.142842608829E+04 -0.27605E-03 -0.36368E-03 1040 0.915E-02 0.600E-02
DAV: 3 -0.142842606579E+04 0.22497E-04 -0.11010E-04 1088 0.212E-02 0.351E-02
DAV: 4 -0.142842606393E+04 0.18542E-05 -0.50210E-05 944 0.152E-02
71 F= -.14284261E+04 E0= -.14284418E+04 d E =-.533181E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842621311E+04 -0.14732E-03 -0.56172E-02 896 0.397E-01 0.527E-02
DAV: 2 -0.142842630716E+04 -0.94047E-04 -0.11966E-03 1032 0.520E-02 0.341E-02
DAV: 3 -0.142842629953E+04 0.76264E-05 -0.28340E-05 792 0.119E-02
72 F= -.14284263E+04 E0= -.14284420E+04 d E =-.235594E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842570841E+04 0.59874E-03 -0.50106E-01 896 0.119E+00 0.156E-01
DAV: 2 -0.142842650881E+04 -0.80040E-03 -0.10403E-02 1032 0.153E-01 0.102E-01
DAV: 3 -0.142842644506E+04 0.63756E-04 -0.27119E-04 1088 0.342E-02 0.599E-02
DAV: 4 -0.142842644554E+04 -0.48335E-06 -0.15394E-04 992 0.242E-02 0.165E-02
DAV: 5 -0.142842644502E+04 0.52281E-06 -0.25221E-05 752 0.114E-02
73 F= -.14284264E+04 E0= -.14284421E+04 d E =-.381084E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842640211E+04 0.43432E-04 -0.61817E-02 896 0.416E-01 0.531E-02
DAV: 2 -0.142842649889E+04 -0.96781E-04 -0.12898E-03 1016 0.542E-02 0.354E-02
DAV: 3 -0.142842648950E+04 0.93949E-05 -0.32052E-05 840 0.121E-02
74 F= -.14284265E+04 E0= -.14284421E+04 d E =-.425562E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842670538E+04 -0.20648E-03 -0.65182E-02 896 0.426E-01 0.519E-02
DAV: 2 -0.142842681846E+04 -0.11308E-03 -0.14133E-03 1008 0.561E-02 0.343E-02
DAV: 3 -0.142842680901E+04 0.94498E-05 -0.30162E-05 856 0.119E-02
75 F= -.14284268E+04 E0= -.14284425E+04 d E =-.319514E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842647962E+04 0.33884E-03 -0.46489E-01 896 0.114E+00 0.149E-01
DAV: 2 -0.142842722021E+04 -0.74059E-03 -0.95903E-03 1024 0.147E-01 0.961E-02
DAV: 3 -0.142842716309E+04 0.57121E-04 -0.24499E-04 1088 0.320E-02 0.556E-02
DAV: 4 -0.142842716490E+04 -0.18045E-05 -0.12817E-04 1024 0.222E-02 0.150E-02
DAV: 5 -0.142842716451E+04 0.38990E-06 -0.21160E-05 680 0.105E-02
76 F= -.14284272E+04 E0= -.14284430E+04 d E =-.675011E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842735691E+04 -0.19202E-03 -0.11661E-01 896 0.570E-01 0.732E-02
DAV: 2 -0.142842755092E+04 -0.19400E-03 -0.24341E-03 984 0.735E-02 0.486E-02
DAV: 3 -0.142842753638E+04 0.14539E-04 -0.59100E-05 1064 0.166E-02 0.288E-02
DAV: 4 -0.142842753675E+04 -0.37246E-06 -0.35952E-05 904 0.116E-02
77 F= -.14284275E+04 E0= -.14284434E+04 d E =-.372242E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842741810E+04 0.11827E-03 -0.26574E-01 896 0.860E-01 0.111E-01
DAV: 2 -0.142842785622E+04 -0.43812E-03 -0.55615E-03 984 0.111E-01 0.739E-02
DAV: 3 -0.142842782192E+04 0.34309E-04 -0.13801E-04 1096 0.254E-02 0.441E-02
DAV: 4 -0.142842782302E+04 -0.11077E-05 -0.88130E-05 1008 0.181E-02
78 F= -.14284278E+04 E0= -.14284436E+04 d E =-.658516E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842809686E+04 -0.27494E-03 -0.81716E-02 896 0.480E-01 0.646E-02
DAV: 2 -0.142842823935E+04 -0.14249E-03 -0.18159E-03 1040 0.645E-02 0.413E-02
DAV: 3 -0.142842822858E+04 0.10770E-04 -0.48023E-05 1016 0.146E-02 0.245E-02
DAV: 4 -0.142842822875E+04 -0.17094E-06 -0.26296E-05 752 0.106E-02
79 F= -.14284282E+04 E0= -.14284440E+04 d E =-.405726E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842831331E+04 -0.84730E-04 -0.17688E-02 896 0.223E-01 0.304E-02
DAV: 2 -0.142842834444E+04 -0.31130E-04 -0.39416E-04 1040 0.301E-02 0.191E-02
DAV: 3 -0.142842834188E+04 0.25604E-05 -0.86415E-06 560 0.691E-03
80 F= -.14284283E+04 E0= -.14284441E+04 d E =-.518854E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842832017E+04 0.24270E-04 -0.69770E-02 896 0.444E-01 0.596E-02
DAV: 2 -0.142842843448E+04 -0.11432E-03 -0.14943E-03 1048 0.585E-02 0.380E-02
DAV: 3 -0.142842842536E+04 0.91252E-05 -0.40334E-05 936 0.131E-02
81 F= -.14284284E+04 E0= -.14284441E+04 d E =-.602334E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842857981E+04 -0.14533E-03 -0.90189E-02 896 0.501E-01 0.680E-02
DAV: 2 -0.142842871877E+04 -0.13896E-03 -0.18406E-03 1008 0.646E-02 0.440E-02
DAV: 3 -0.142842870836E+04 0.10411E-04 -0.54711E-05 1024 0.148E-02 0.255E-02
DAV: 4 -0.142842870900E+04 -0.64076E-06 -0.27011E-05 744 0.107E-02
82 F= -.14284287E+04 E0= -.14284443E+04 d E =-.283639E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842869524E+04 0.13116E-04 -0.10298E-01 896 0.535E-01 0.700E-02
DAV: 2 -0.142842886804E+04 -0.17280E-03 -0.21895E-03 1000 0.700E-02 0.458E-02
DAV: 3 -0.142842885503E+04 0.13009E-04 -0.57686E-05 1032 0.157E-02 0.272E-02
DAV: 4 -0.142842885522E+04 -0.19486E-06 -0.31548E-05 808 0.112E-02
83 F= -.14284289E+04 E0= -.14284444E+04 d E =-.429864E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842909858E+04 -0.24355E-03 -0.60525E-02 896 0.412E-01 0.549E-02
DAV: 2 -0.142842920340E+04 -0.10482E-03 -0.13597E-03 1040 0.560E-02 0.358E-02
DAV: 3 -0.142842919442E+04 0.89781E-05 -0.39508E-05 904 0.133E-02
84 F= -.14284292E+04 E0= -.14284448E+04 d E =-.339204E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842920354E+04 -0.13835E-06 -0.49530E-02 896 0.373E-01 0.529E-02
DAV: 2 -0.142842927980E+04 -0.76261E-04 -0.10566E-03 1048 0.497E-02 0.341E-02
DAV: 3 -0.142842927254E+04 0.72610E-05 -0.33883E-05 856 0.122E-02
85 F= -.14284293E+04 E0= -.14284450E+04 d E =-.417320E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842939812E+04 -0.11832E-03 -0.71481E-02 896 0.446E-01 0.595E-02
DAV: 2 -0.142842951377E+04 -0.11565E-03 -0.14930E-03 1024 0.579E-02 0.388E-02
DAV: 3 -0.142842950453E+04 0.92380E-05 -0.40092E-05 960 0.132E-02
86 F= -.14284295E+04 E0= -.14284453E+04 d E =-.231989E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842947861E+04 0.35160E-04 -0.70275E-02 896 0.442E-01 0.596E-02
DAV: 2 -0.142842958967E+04 -0.11106E-03 -0.14424E-03 1016 0.570E-02 0.386E-02
DAV: 3 -0.142842958144E+04 0.82329E-05 -0.40368E-05 952 0.130E-02
87 F= -.14284296E+04 E0= -.14284454E+04 d E =-.308895E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842978403E+04 -0.19436E-03 -0.93296E-02 896 0.509E-01 0.676E-02
DAV: 2 -0.142842993725E+04 -0.15322E-03 -0.19966E-03 1024 0.671E-02 0.443E-02
DAV: 3 -0.142842992573E+04 0.11515E-04 -0.55482E-05 1048 0.150E-02 0.258E-02
DAV: 4 -0.142842992615E+04 -0.42244E-06 -0.28851E-05 776 0.112E-02
88 F= -.14284299E+04 E0= -.14284457E+04 d E =-.344718E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842994790E+04 -0.22163E-04 -0.15889E-02 896 0.210E-01 0.279E-02
DAV: 2 -0.142842997641E+04 -0.28511E-04 -0.35648E-04 1024 0.283E-02 0.181E-02
DAV: 3 -0.142842997408E+04 0.23210E-05 -0.75598E-06 560 0.655E-03
89 F= -.14284300E+04 E0= -.14284457E+04 d E =-.392648E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843016193E+04 -0.18552E-03 -0.50441E-02 896 0.376E-01 0.501E-02
DAV: 2 -0.142843024781E+04 -0.85881E-04 -0.11349E-03 1024 0.510E-02 0.323E-02
DAV: 3 -0.142843024073E+04 0.70771E-05 -0.34735E-05 880 0.114E-02
90 F= -.14284302E+04 E0= -.14284459E+04 d E =-.266649E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843025666E+04 -0.88462E-05 -0.25657E-02 896 0.268E-01 0.384E-02
DAV: 2 -0.142843029653E+04 -0.39873E-04 -0.55103E-04 1032 0.357E-02 0.243E-02
DAV: 3 -0.142843029320E+04 0.33271E-05 -0.17668E-05 672 0.834E-03
91 F= -.14284303E+04 E0= -.14284460E+04 d E =-.319119E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843041092E+04 -0.11439E-03 -0.44845E-02 896 0.351E-01 0.469E-02
DAV: 2 -0.142843048526E+04 -0.74344E-04 -0.97005E-04 1008 0.463E-02 0.304E-02
DAV: 3 -0.142843047968E+04 0.55758E-05 -0.26026E-05 792 0.102E-02
92 F= -.14284305E+04 E0= -.14284462E+04 d E =-.186481E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843047347E+04 0.11789E-04 -0.41085E-02 896 0.336E-01 0.459E-02
DAV: 2 -0.142843053907E+04 -0.65602E-04 -0.87080E-04 1008 0.440E-02 0.295E-02
DAV: 3 -0.142843053433E+04 0.47395E-05 -0.24510E-05 792 0.978E-03
93 F= -.14284305E+04 E0= -.14284463E+04 d E =-.241130E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843067913E+04 -0.14006E-03 -0.43618E-02 896 0.345E-01 0.457E-02
DAV: 2 -0.142843075029E+04 -0.71156E-04 -0.91718E-04 1008 0.448E-02 0.296E-02
DAV: 3 -0.142843074539E+04 0.48973E-05 -0.22379E-05 792 0.960E-03
94 F= -.14284307E+04 E0= -.14284464E+04 d E =-.211060E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843065272E+04 0.97567E-04 -0.15506E-01 896 0.650E-01 0.840E-02
DAV: 2 -0.142843091149E+04 -0.25877E-03 -0.32915E-03 1016 0.846E-02 0.548E-02
DAV: 3 -0.142843089364E+04 0.17853E-04 -0.82873E-05 1072 0.178E-02 0.321E-02
DAV: 4 -0.142843089479E+04 -0.11490E-05 -0.45150E-05 904 0.134E-02
95 F= -.14284309E+04 E0= -.14284465E+04 d E =-.360453E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843103105E+04 -0.13741E-03 -0.43403E-02 896 0.343E-01 0.442E-02
DAV: 2 -0.142843110769E+04 -0.76643E-04 -0.93806E-04 992 0.448E-02 0.287E-02
DAV: 3 -0.142843110265E+04 0.50426E-05 -0.18884E-05 760 0.955E-03
96 F= -.14284311E+04 E0= -.14284467E+04 d E =-.207866E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843078287E+04 0.32483E-03 -0.38562E-01 896 0.102E+00 0.129E-01
DAV: 2 -0.142843143218E+04 -0.64931E-03 -0.81083E-03 992 0.132E-01 0.852E-02
DAV: 3 -0.142843138935E+04 0.42828E-04 -0.18961E-04 1096 0.272E-02 0.496E-02
DAV: 4 -0.142843139282E+04 -0.34659E-05 -0.10288E-04 1000 0.201E-02 0.130E-02
DAV: 5 -0.142843139295E+04 -0.13052E-06 -0.17283E-05 664 0.912E-03
97 F= -.14284314E+04 E0= -.14284470E+04 d E =-.498161E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843157012E+04 -0.17731E-03 -0.86088E-02 896 0.484E-01 0.609E-02
DAV: 2 -0.142843172404E+04 -0.15391E-03 -0.18798E-03 992 0.632E-02 0.401E-02
DAV: 3 -0.142843171435E+04 0.96854E-05 -0.41122E-05 952 0.129E-02
98 F= -.14284317E+04 E0= -.14284474E+04 d E =-.321405E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843135666E+04 0.36737E-03 -0.37703E-01 896 0.101E+00 0.129E-01
DAV: 2 -0.142843199326E+04 -0.63659E-03 -0.80045E-03 992 0.131E-01 0.853E-02
DAV: 3 -0.142843195085E+04 0.42406E-04 -0.19541E-04 1088 0.271E-02 0.496E-02
DAV: 4 -0.142843195333E+04 -0.24758E-05 -0.95979E-05 1016 0.196E-02
99 F= -.14284320E+04 E0= -.14284477E+04 d E =-.560380E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843189794E+04 0.52906E-04 -0.31679E-02 896 0.294E-01 0.351E-02
DAV: 2 -0.142843195033E+04 -0.52383E-04 -0.68207E-04 976 0.382E-02 0.243E-02
DAV: 3 -0.142843194543E+04 0.49018E-05 -0.14481E-05 688 0.755E-03
100 F= -.14284319E+04 E0= -.14284477E+04 d E =-.552480E-03