N E dE d eps ncg rms rms(c)
DAV: 1 0.466086512815E+04 0.46609E+04 -0.33198E+05 2504 0.103E+03
DAV: 2 -0.781587432960E+03 -0.54425E+04 -0.51766E+04 3096 0.231E+02
DAV: 3 -0.152430445957E+04 -0.74272E+03 -0.73297E+03 3064 0.880E+01
DAV: 4 -0.155568806200E+04 -0.31384E+02 -0.31217E+02 3032 0.196E+01
DAV: 5 -0.155698718271E+04 -0.12991E+01 -0.12980E+01 3448 0.357E+00 0.691E+01
DAV: 6 -0.145244948150E+04 0.10454E+03 -0.32808E+02 3312 0.281E+01 0.415E+01
DAV: 7 -0.145231941689E+04 0.13006E+00 -0.10407E+02 2760 0.107E+01 0.202E+01
DAV: 8 -0.144980840715E+04 0.25110E+01 -0.22869E+01 2944 0.740E+00 0.905E+00
DAV: 9 -0.144846149338E+04 0.13469E+01 -0.57693E+00 3176 0.418E+00 0.292E+00
DAV: 10 -0.144861414056E+04 -0.15265E+00 -0.25845E+00 2752 0.167E+00 0.215E+00
DAV: 11 -0.144857024568E+04 0.43895E-01 -0.32552E-01 3016 0.992E-01 0.725E-01
DAV: 12 -0.144857889653E+04 -0.86509E-02 -0.12911E-01 2800 0.493E-01 0.530E-01
DAV: 13 -0.144858126345E+04 -0.23669E-02 -0.21197E-02 2968 0.195E-01 0.303E-01
DAV: 14 -0.144858395912E+04 -0.26957E-02 -0.95892E-03 3224 0.139E-01 0.173E-01
DAV: 15 -0.144858930476E+04 -0.53456E-02 -0.45258E-03 2800 0.922E-02 0.110E-01
DAV: 16 -0.144859436509E+04 -0.50603E-02 -0.24086E-03 3104 0.688E-02 0.838E-02
DAV: 17 -0.144860019760E+04 -0.58325E-02 -0.12510E-03 2792 0.549E-02 0.863E-02
DAV: 18 -0.144860210809E+04 -0.19105E-02 -0.71231E-04 3072 0.353E-02 0.652E-02
DAV: 19 -0.144860360818E+04 -0.15001E-02 -0.45720E-04 3120 0.293E-02 0.413E-02
DAV: 20 -0.144860470456E+04 -0.10964E-02 -0.14325E-04 3120 0.206E-02 0.235E-02
DAV: 21 -0.144860547438E+04 -0.76982E-03 -0.19188E-04 2928 0.183E-02 0.219E-02
DAV: 22 -0.144860596993E+04 -0.49555E-03 -0.49866E-05 2728 0.116E-02 0.184E-02
DAV: 23 -0.144860636097E+04 -0.39104E-03 -0.58166E-05 2704 0.112E-02 0.143E-02
DAV: 24 -0.144860656480E+04 -0.20383E-03 -0.22113E-05 2040 0.692E-03 0.108E-02
DAV: 25 -0.144860668054E+04 -0.11573E-03 -0.15573E-05 1824 0.555E-03 0.661E-03
DAV: 26 -0.144860673763E+04 -0.57090E-04 -0.66964E-06 1608 0.365E-03 0.453E-03
DAV: 27 -0.144860678436E+04 -0.46729E-04 -0.60082E-06 1696 0.330E-03 0.290E-03
DAV: 28 -0.144860679786E+04 -0.13509E-04 -0.26193E-06 1512 0.213E-03 0.234E-03
DAV: 29 -0.144860680392E+04 -0.60585E-05 -0.10714E-06 1408 0.132E-03
1 F= -.14486068E+04 E0= -.14486280E+04 d E =-.144861E+04
N E dE d eps ncg rms rms(c)
DAV: 1 -0.138038770669E+04 0.68219E+02 -0.10190E+04 2512 0.140E+02 0.496E+01
DAV: 2 -0.145853584014E+04 -0.78148E+02 -0.93228E+02 3056 0.356E+01 0.253E+01
DAV: 3 -0.145147342678E+04 0.70624E+01 -0.39906E+01 2952 0.871E+00 0.175E+01
DAV: 4 -0.144766668099E+04 0.38067E+01 -0.39994E+01 2896 0.792E+00 0.604E+00
DAV: 5 -0.144731976450E+04 0.34692E+00 -0.27636E+00 3112 0.275E+00 0.461E+00
DAV: 6 -0.144713727344E+04 0.18249E+00 -0.14450E+00 3176 0.188E+00 0.249E+00
DAV: 7 -0.144713088243E+04 0.63910E-02 -0.10637E+00 2928 0.125E+00 0.872E-01
DAV: 8 -0.144713415393E+04 -0.32715E-02 -0.10572E-01 3144 0.453E-01 0.480E-01
DAV: 9 -0.144713342531E+04 0.72862E-03 -0.18364E-02 3024 0.200E-01 0.362E-01
DAV: 10 -0.144713336073E+04 0.64580E-04 -0.11810E-02 3128 0.157E-01 0.143E-01
DAV: 11 -0.144713450074E+04 -0.11400E-02 -0.26743E-03 3136 0.771E-02 0.721E-02
DAV: 12 -0.144713636770E+04 -0.18670E-02 -0.15242E-03 2984 0.645E-02 0.632E-02
DAV: 13 -0.144713769113E+04 -0.13234E-02 -0.62869E-04 3136 0.456E-02 0.427E-02
DAV: 14 -0.144713912202E+04 -0.14309E-02 -0.76228E-04 3144 0.478E-02 0.293E-02
DAV: 15 -0.144713959726E+04 -0.47524E-03 -0.35344E-04 3040 0.263E-02 0.226E-02
DAV: 16 -0.144713978829E+04 -0.19103E-03 -0.10895E-04 2960 0.133E-02 0.132E-02
DAV: 17 -0.144714006387E+04 -0.27558E-03 -0.54843E-05 2848 0.112E-02 0.139E-02
DAV: 18 -0.144714020150E+04 -0.13763E-03 -0.25321E-05 2512 0.920E-03 0.702E-03
DAV: 19 -0.144714027317E+04 -0.71664E-04 -0.33688E-05 2656 0.704E-03 0.816E-03
DAV: 20 -0.144714037350E+04 -0.10033E-03 -0.80419E-06 2048 0.477E-03 0.387E-03
DAV: 21 -0.144714042386E+04 -0.50356E-04 -0.74353E-06 1960 0.337E-03 0.268E-03
DAV: 22 -0.144714045655E+04 -0.32692E-04 -0.24766E-06 1912 0.222E-03 0.188E-03
DAV: 23 -0.144714048169E+04 -0.25144E-04 -0.21237E-06 1928 0.198E-03 0.186E-03
DAV: 24 -0.144714048905E+04 -0.73576E-05 -0.96019E-07 1808 0.117E-03
2 F= -.14471405E+04 E0= -.14471482E+04 d E =0.146631E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.145093083052E+04 -0.37903E+01 -0.28842E+03 2480 0.745E+01 0.177E+01
DAV: 2 -0.146475725485E+04 -0.13826E+02 -0.15980E+02 2960 0.140E+01 0.986E+00
DAV: 3 -0.146339809135E+04 0.13592E+01 -0.51711E+00 3184 0.390E+00 0.622E+00
DAV: 4 -0.146304790830E+04 0.35018E+00 -0.37897E+00 2880 0.276E+00 0.273E+00
DAV: 5 -0.146300690672E+04 0.41002E-01 -0.74983E-01 3120 0.131E+00 0.166E+00
DAV: 6 -0.146301367409E+04 -0.67674E-02 -0.31467E-01 2984 0.890E-01 0.575E-01
DAV: 7 -0.146301832669E+04 -0.46526E-02 -0.88063E-02 2880 0.394E-01 0.548E-01
DAV: 8 -0.146301979600E+04 -0.14693E-02 -0.20769E-02 2968 0.188E-01 0.310E-01
DAV: 9 -0.146302226282E+04 -0.24668E-02 -0.27763E-03 3000 0.956E-02 0.171E-01
DAV: 10 -0.146302506894E+04 -0.28061E-02 -0.25096E-03 3176 0.830E-02 0.662E-02
DAV: 11 -0.146302666728E+04 -0.15983E-02 -0.13150E-03 2960 0.486E-02 0.661E-02
DAV: 12 -0.146302796177E+04 -0.12945E-02 -0.48886E-04 3312 0.357E-02 0.388E-02
DAV: 13 -0.146302939388E+04 -0.14321E-02 -0.69048E-04 3336 0.417E-02 0.465E-02
DAV: 14 -0.146302989864E+04 -0.50476E-03 -0.22965E-04 2960 0.206E-02 0.449E-02
DAV: 15 -0.146303021363E+04 -0.31499E-03 -0.11367E-04 3328 0.154E-02 0.255E-02
DAV: 16 -0.146303035975E+04 -0.14612E-03 -0.66972E-05 2824 0.115E-02 0.101E-02
DAV: 17 -0.146303054184E+04 -0.18209E-03 -0.17773E-05 2184 0.668E-03 0.680E-03
DAV: 18 -0.146303066490E+04 -0.12306E-03 -0.22984E-05 2464 0.636E-03 0.359E-03
DAV: 19 -0.146303072346E+04 -0.58558E-04 -0.95723E-06 2072 0.420E-03 0.323E-03
DAV: 20 -0.146303075520E+04 -0.31738E-04 -0.47810E-06 1824 0.273E-03 0.395E-03
DAV: 21 -0.146303077304E+04 -0.17844E-04 -0.20405E-06 1816 0.166E-03 0.353E-03
DAV: 22 -0.146303079065E+04 -0.17613E-04 -0.34726E-06 1752 0.250E-03 0.213E-03
DAV: 23 -0.146303079597E+04 -0.53184E-05 -0.13222E-06 1544 0.161E-03
3 F= -.14630308E+04 E0= -.14630386E+04 d E =-.144240E+02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.144460361947E+04 0.18427E+02 -0.53580E+03 2488 0.102E+02 0.230E+01
DAV: 2 -0.147453521719E+04 -0.29932E+02 -0.32966E+02 2928 0.201E+01 0.142E+01
DAV: 3 -0.147190732813E+04 0.26279E+01 -0.84130E+00 3000 0.445E+00 0.968E+00
DAV: 4 -0.147087863423E+04 0.10287E+01 -0.14677E+01 2856 0.512E+00 0.380E+00
DAV: 5 -0.147073271203E+04 0.14592E+00 -0.14940E+00 2784 0.182E+00 0.276E+00
DAV: 6 -0.147067405658E+04 0.58655E-01 -0.62088E-01 2960 0.104E+00 0.113E+00
DAV: 7 -0.147067319705E+04 0.85953E-03 -0.21801E-01 3064 0.618E-01 0.450E-01
DAV: 8 -0.147067658695E+04 -0.33899E-02 -0.53487E-02 3000 0.310E-01 0.359E-01
DAV: 9 -0.147067503370E+04 0.15533E-02 -0.85493E-03 2984 0.137E-01 0.227E-01
DAV: 10 -0.147067524927E+04 -0.21556E-03 -0.95629E-03 2840 0.121E-01 0.121E-01
DAV: 11 -0.147067556881E+04 -0.31954E-03 -0.11664E-03 2992 0.618E-02 0.428E-02
DAV: 12 -0.147067621171E+04 -0.64290E-03 -0.70078E-04 3168 0.401E-02 0.332E-02
DAV: 13 -0.147067668597E+04 -0.47426E-03 -0.25379E-04 2936 0.222E-02 0.290E-02
DAV: 14 -0.147067729952E+04 -0.61355E-03 -0.13726E-04 2880 0.179E-02 0.145E-02
DAV: 15 -0.147067773600E+04 -0.43648E-03 -0.10022E-04 2944 0.141E-02 0.120E-02
DAV: 16 -0.147067793077E+04 -0.19477E-03 -0.58364E-05 2864 0.104E-02 0.893E-03
DAV: 17 -0.147067800025E+04 -0.69478E-04 -0.72210E-06 1968 0.371E-03 0.718E-03
DAV: 18 -0.147067807957E+04 -0.79316E-04 -0.77131E-06 2056 0.391E-03 0.511E-03
DAV: 19 -0.147067813488E+04 -0.55308E-04 -0.56716E-06 1920 0.375E-03 0.395E-03
DAV: 20 -0.147067816094E+04 -0.26068E-04 -0.53914E-06 1896 0.335E-03 0.308E-03
DAV: 21 -0.147067816921E+04 -0.82671E-05 -0.19877E-06 1728 0.183E-03
4 F= -.14706782E+04 E0= -.14706851E+04 d E =-.764737E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.147072796471E+04 -0.49804E-01 -0.40833E+02 2480 0.281E+01 0.519E+00
DAV: 2 -0.147204018863E+04 -0.13122E+01 -0.15159E+01 2864 0.457E+00 0.276E+00
DAV: 3 -0.147195345136E+04 0.86737E-01 -0.37380E-01 3136 0.937E-01 0.175E+00
DAV: 4 -0.147191311204E+04 0.40339E-01 -0.19754E-01 2936 0.683E-01 0.604E-01
DAV: 5 -0.147191513627E+04 -0.20242E-02 -0.70536E-02 3080 0.345E-01 0.360E-01
DAV: 6 -0.147191548854E+04 -0.35227E-03 -0.11390E-02 2928 0.137E-01 0.201E-01
DAV: 7 -0.147191549778E+04 -0.92470E-05 -0.15952E-03 2920 0.585E-02 0.138E-01
DAV: 8 -0.147191576038E+04 -0.26260E-03 -0.83141E-04 2888 0.415E-02 0.585E-02
DAV: 9 -0.147191594077E+04 -0.18039E-03 -0.39469E-04 3344 0.319E-02 0.250E-02
DAV: 10 -0.147191613726E+04 -0.19648E-03 -0.19476E-04 2856 0.178E-02 0.162E-02
DAV: 11 -0.147191630016E+04 -0.16290E-03 -0.16383E-05 2232 0.739E-03 0.112E-02
DAV: 12 -0.147191658375E+04 -0.28360E-03 -0.68343E-05 2712 0.116E-02 0.884E-03
DAV: 13 -0.147191665559E+04 -0.71840E-04 -0.21299E-05 2536 0.621E-03 0.879E-03
DAV: 14 -0.147191669617E+04 -0.40577E-04 -0.11185E-05 1952 0.454E-03 0.621E-03
DAV: 15 -0.147191674928E+04 -0.53107E-04 -0.92529E-06 2032 0.441E-03 0.372E-03
DAV: 16 -0.147191680306E+04 -0.53781E-04 -0.96482E-06 2008 0.411E-03 0.526E-03
DAV: 17 -0.147191683255E+04 -0.29490E-04 -0.41248E-06 1936 0.323E-03 0.375E-03
DAV: 18 -0.147191684337E+04 -0.10819E-04 -0.50587E-06 1824 0.290E-03 0.255E-03
DAV: 19 -0.147191684691E+04 -0.35467E-05 -0.11413E-06 1640 0.148E-03
5 F= -.14719168E+04 E0= -.14719240E+04 d E =-.888605E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.146065807546E+04 0.11259E+02 -0.34671E+03 2480 0.789E+01 0.155E+01
DAV: 2 -0.147880117616E+04 -0.18143E+02 -0.19965E+02 2856 0.143E+01 0.101E+01
DAV: 3 -0.147728849883E+04 0.15127E+01 -0.33139E+00 3080 0.328E+00 0.684E+00
DAV: 4 -0.147690170455E+04 0.38679E+00 -0.96840E+00 2880 0.482E+00 0.355E+00
DAV: 5 -0.147685934435E+04 0.42360E-01 -0.22062E+00 2784 0.195E+00 0.322E+00
DAV: 6 -0.147679495041E+04 0.64394E-01 -0.43049E-01 2888 0.770E-01 0.187E+00
DAV: 7 -0.147674709776E+04 0.47853E-01 -0.23986E-01 3000 0.711E-01 0.557E-01
DAV: 8 -0.147674930328E+04 -0.22055E-02 -0.92894E-02 2856 0.389E-01 0.309E-01
DAV: 9 -0.147675145893E+04 -0.21557E-02 -0.21386E-02 3032 0.212E-01 0.344E-01
DAV: 10 -0.147675075437E+04 0.70456E-03 -0.51689E-03 3040 0.104E-01 0.239E-01
DAV: 11 -0.147675087811E+04 -0.12375E-03 -0.31105E-03 2840 0.765E-02 0.133E-01
DAV: 12 -0.147675132539E+04 -0.44728E-03 -0.20421E-03 3824 0.103E-01 0.427E-02
DAV: 13 -0.147675185125E+04 -0.52585E-03 -0.21343E-03 3000 0.638E-02 0.835E-02
DAV: 14 -0.147675213482E+04 -0.28357E-03 -0.46187E-04 3480 0.388E-02 0.531E-02
DAV: 15 -0.147675242143E+04 -0.28662E-03 -0.30749E-04 2976 0.358E-02 0.225E-02
DAV: 16 -0.147675273583E+04 -0.31440E-03 -0.23611E-04 3216 0.404E-02 0.151E-02
DAV: 17 -0.147675286831E+04 -0.13248E-03 -0.31243E-04 2976 0.284E-02 0.215E-02
DAV: 18 -0.147675290422E+04 -0.35913E-04 -0.13868E-04 2808 0.165E-02 0.154E-02
DAV: 19 -0.147675291865E+04 -0.14426E-04 -0.12699E-05 2032 0.970E-03 0.113E-02
DAV: 20 -0.147675292319E+04 -0.45472E-05 -0.53245E-05 3040 0.261E-02
6 F= -.14767529E+04 E0= -.14767621E+04 d E =-.483608E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.147673846993E+04 0.14449E-01 -0.25582E+02 2480 0.218E+01 0.413E+00
DAV: 2 -0.147760942465E+04 -0.87095E+00 -0.99576E+00 2840 0.370E+00 0.205E+00
DAV: 3 -0.147757067619E+04 0.38748E-01 -0.24144E-01 2992 0.673E-01 0.144E+00
DAV: 4 -0.147753625500E+04 0.34421E-01 -0.15006E-01 2872 0.587E-01 0.546E-01
DAV: 5 -0.147753432400E+04 0.19310E-02 -0.47195E-02 3072 0.329E-01 0.383E-01
DAV: 6 -0.147753348897E+04 0.83503E-03 -0.23139E-02 2960 0.205E-01 0.185E-01
DAV: 7 -0.147753321511E+04 0.27386E-03 -0.32125E-03 2896 0.770E-02 0.921E-02
DAV: 8 -0.147753300346E+04 0.21165E-03 -0.60169E-04 3280 0.525E-02 0.446E-02
DAV: 9 -0.147753297469E+04 0.28773E-04 -0.48482E-04 3216 0.380E-02 0.327E-02
DAV: 10 -0.147753297789E+04 -0.32005E-05 -0.19600E-04 2776 0.192E-02 0.232E-02
DAV: 11 -0.147753299329E+04 -0.15400E-04 -0.83634E-05 2824 0.195E-02 0.174E-02
DAV: 12 -0.147753303150E+04 -0.38212E-04 -0.73530E-05 3000 0.193E-02 0.171E-02
DAV: 13 -0.147753306049E+04 -0.28989E-04 -0.87808E-05 3080 0.186E-02 0.117E-02
DAV: 14 -0.147753307330E+04 -0.12808E-04 -0.71404E-05 2432 0.967E-03 0.121E-02
DAV: 15 -0.147753308357E+04 -0.10269E-04 -0.88829E-06 1752 0.459E-03 0.654E-03
DAV: 16 -0.147753310717E+04 -0.23602E-04 -0.15968E-05 2272 0.653E-03 0.453E-03
DAV: 17 -0.147753311822E+04 -0.11052E-04 -0.46739E-06 1664 0.360E-03 0.339E-03
DAV: 18 -0.147753312631E+04 -0.80824E-05 -0.32332E-06 1688 0.263E-03
7 F= -.14775331E+04 E0= -.14775402E+04 d E =-.561628E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.147048324998E+04 0.70499E+01 -0.24391E+03 2496 0.669E+01 0.139E+01
DAV: 2 -0.148118070396E+04 -0.10697E+02 -0.12839E+02 2768 0.123E+01 0.743E+00
DAV: 3 -0.148066855652E+04 0.51215E+00 -0.30733E+00 2968 0.236E+00 0.548E+00
DAV: 4 -0.148031383407E+04 0.35472E+00 -0.32533E+00 2936 0.246E+00 0.221E+00
DAV: 5 -0.148035366743E+04 -0.39833E-01 -0.67770E-01 2712 0.101E+00 0.216E+00
DAV: 6 -0.148030693489E+04 0.46733E-01 -0.17203E-01 3216 0.638E-01 0.126E+00
DAV: 7 -0.148029122172E+04 0.15713E-01 -0.35245E-01 2768 0.766E-01 0.437E-01
DAV: 8 -0.148029109965E+04 0.12206E-03 -0.41392E-02 2856 0.270E-01 0.288E-01
DAV: 9 -0.148029112523E+04 -0.25579E-04 -0.16335E-02 2872 0.159E-01 0.134E-01
DAV: 10 -0.148029109870E+04 0.26529E-04 -0.21040E-03 3560 0.782E-02 0.815E-02
DAV: 11 -0.148029135657E+04 -0.25786E-03 -0.14035E-03 2832 0.487E-02 0.894E-02
DAV: 12 -0.148029142171E+04 -0.65141E-04 -0.37034E-04 3104 0.284E-02 0.526E-02
DAV: 13 -0.148029147998E+04 -0.58270E-04 -0.42213E-04 2888 0.290E-02 0.173E-02
DAV: 14 -0.148029155901E+04 -0.79031E-04 -0.78749E-05 2784 0.121E-02 0.172E-02
DAV: 15 -0.148029165553E+04 -0.96521E-04 -0.14769E-05 2176 0.817E-03 0.168E-02
DAV: 16 -0.148029174930E+04 -0.93772E-04 -0.37594E-05 2672 0.121E-02 0.774E-03
DAV: 17 -0.148029179463E+04 -0.45332E-04 -0.36727E-05 2688 0.748E-03 0.697E-03
DAV: 18 -0.148029180692E+04 -0.12292E-04 -0.37637E-06 1648 0.326E-03 0.406E-03
DAV: 19 -0.148029183412E+04 -0.27192E-04 -0.10746E-05 1936 0.511E-03 0.448E-03
DAV: 20 -0.148029184897E+04 -0.14854E-04 -0.32676E-06 1848 0.289E-03 0.309E-03
DAV: 21 -0.148029185534E+04 -0.63738E-05 -0.32086E-06 1648 0.238E-03
8 F= -.14802919E+04 E0= -.14802976E+04 d E =-.275873E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.148015471005E+04 0.13714E+00 -0.13934E+02 2480 0.161E+01 0.263E+00
DAV: 2 -0.148061983537E+04 -0.46513E+00 -0.52055E+00 2744 0.269E+00 0.152E+00
DAV: 3 -0.148059868515E+04 0.21150E-01 -0.12047E-01 3080 0.506E-01 0.991E-01
DAV: 4 -0.148058785390E+04 0.10831E-01 -0.41486E-02 2960 0.310E-01 0.391E-01
DAV: 5 -0.148058818588E+04 -0.33198E-03 -0.19122E-02 2984 0.183E-01 0.166E-01
DAV: 6 -0.148058848227E+04 -0.29639E-03 -0.57353E-03 3016 0.103E-01 0.101E-01
DAV: 7 -0.148058846806E+04 0.14213E-04 -0.62206E-04 2792 0.324E-02 0.788E-02
DAV: 8 -0.148058841902E+04 0.49041E-04 -0.22946E-04 2960 0.223E-02 0.419E-02
DAV: 9 -0.148058842349E+04 -0.44710E-05 -0.93877E-05 2776 0.135E-02
9 F= -.14805884E+04 E0= -.14805948E+04 d E =-.305530E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.147910571446E+04 0.14827E+01 -0.99384E+02 2480 0.435E+01 0.802E+00
DAV: 2 -0.148284198455E+04 -0.37363E+01 -0.40975E+01 2744 0.736E+00 0.441E+00
DAV: 3 -0.148261606556E+04 0.22592E+00 -0.85521E-01 3024 0.135E+00 0.297E+00
DAV: 4 -0.148251091574E+04 0.10515E+00 -0.98656E-01 2856 0.131E+00 0.120E+00
DAV: 5 -0.148250689540E+04 0.40203E-02 -0.16704E-01 2936 0.575E-01 0.819E-01
DAV: 6 -0.148250457906E+04 0.23163E-02 -0.85708E-02 3064 0.437E-01 0.276E-01
DAV: 7 -0.148250620116E+04 -0.16221E-02 -0.29944E-02 2856 0.204E-01 0.196E-01
DAV: 8 -0.148250597939E+04 0.22177E-03 -0.33707E-03 3096 0.882E-02 0.121E-01
DAV: 9 -0.148250590469E+04 0.74704E-04 -0.27434E-03 2968 0.745E-02 0.761E-02
DAV: 10 -0.148250591048E+04 -0.57982E-05 -0.61685E-04 3032 0.388E-02 0.464E-02
DAV: 11 -0.148250602347E+04 -0.11299E-03 -0.36655E-04 3016 0.311E-02 0.222E-02
DAV: 12 -0.148250610063E+04 -0.77163E-04 -0.10090E-04 3072 0.166E-02 0.155E-02
DAV: 13 -0.148250622722E+04 -0.12659E-03 -0.10213E-04 2928 0.184E-02 0.146E-02
DAV: 14 -0.148250629176E+04 -0.64538E-04 -0.50363E-05 2672 0.989E-03 0.140E-02
DAV: 15 -0.148250636159E+04 -0.69828E-04 -0.26347E-05 2440 0.930E-03 0.683E-03
DAV: 16 -0.148250641932E+04 -0.57732E-04 -0.17586E-05 2240 0.719E-03 0.577E-03
DAV: 17 -0.148250644510E+04 -0.25782E-04 -0.97669E-06 1872 0.400E-03 0.433E-03
DAV: 18 -0.148250646342E+04 -0.18314E-04 -0.45887E-06 1664 0.319E-03 0.186E-03
DAV: 19 -0.148250647882E+04 -0.15402E-04 -0.27450E-06 1688 0.203E-03 0.227E-03
DAV: 20 -0.148250648710E+04 -0.82817E-05 -0.11445E-06 1624 0.113E-03
10 F= -.14825065E+04 E0= -.14825112E+04 d E =-.191806E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.148250551471E+04 0.96411E-03 -0.12495E+00 2488 0.152E+00 0.260E-01
DAV: 2 -0.148250932353E+04 -0.38088E-02 -0.42611E-02 2840 0.246E-01 0.134E-01
DAV: 3 -0.148250916112E+04 0.16241E-03 -0.90217E-04 3104 0.437E-02 0.889E-02
DAV: 4 -0.148250905432E+04 0.10681E-03 -0.38540E-04 2968 0.334E-02 0.290E-02
DAV: 5 -0.148250907346E+04 -0.19145E-04 -0.25147E-04 2888 0.202E-02 0.178E-02
DAV: 6 -0.148250907464E+04 -0.11748E-05 -0.41308E-05 2272 0.876E-03
11 F= -.14825091E+04 E0= -.14825138E+04 d E =-.192065E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.148026593194E+04 0.22431E+01 -0.88097E+02 2488 0.414E+01 0.818E+00
DAV: 2 -0.148351758554E+04 -0.32517E+01 -0.36179E+01 2824 0.715E+00 0.439E+00
DAV: 3 -0.148327705478E+04 0.24053E+00 -0.97401E-01 3112 0.147E+00 0.282E+00
DAV: 4 -0.148317702750E+04 0.10003E+00 -0.80648E-01 2888 0.120E+00 0.112E+00
DAV: 5 -0.148317042633E+04 0.66012E-02 -0.14567E-01 3096 0.574E-01 0.641E-01
DAV: 6 -0.148317102546E+04 -0.59913E-03 -0.72350E-02 3016 0.383E-01 0.218E-01
DAV: 7 -0.148317157517E+04 -0.54971E-03 -0.97022E-03 2904 0.125E-01 0.175E-01
DAV: 8 -0.148317125588E+04 0.31930E-03 -0.20291E-03 2960 0.669E-02 0.876E-02
DAV: 9 -0.148317132563E+04 -0.69760E-04 -0.49992E-04 2992 0.314E-02 0.589E-02
DAV: 10 -0.148317147567E+04 -0.15004E-03 -0.28637E-04 3368 0.340E-02 0.273E-02
DAV: 11 -0.148317170969E+04 -0.23402E-03 -0.30805E-04 3008 0.263E-02 0.264E-02
DAV: 12 -0.148317190240E+04 -0.19271E-03 -0.91574E-05 3128 0.167E-02 0.152E-02
DAV: 13 -0.148317215390E+04 -0.25150E-03 -0.74255E-05 2840 0.127E-02 0.145E-02
DAV: 14 -0.148317225243E+04 -0.98534E-04 -0.27832E-05 2512 0.767E-03 0.101E-02
DAV: 15 -0.148317230424E+04 -0.51807E-04 -0.17075E-05 2176 0.599E-03 0.492E-03
DAV: 16 -0.148317234704E+04 -0.42802E-04 -0.39480E-06 1872 0.312E-03 0.279E-03
DAV: 17 -0.148317242061E+04 -0.73566E-04 -0.87334E-06 2008 0.333E-03 0.290E-03
DAV: 18 -0.148317243609E+04 -0.15478E-04 -0.18198E-06 1896 0.201E-03 0.271E-03
DAV: 19 -0.148317244834E+04 -0.12258E-04 -0.32430E-06 1808 0.269E-03 0.373E-03
DAV: 20 -0.148317245388E+04 -0.55410E-05 -0.91503E-07 1688 0.149E-03
12 F= -.14831725E+04 E0= -.14831771E+04 d E =-.663379E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.148321221314E+04 -0.39765E-01 -0.12411E+02 2480 0.155E+01 0.292E+00
DAV: 2 -0.148360826073E+04 -0.39605E+00 -0.45379E+00 2864 0.258E+00 0.146E+00
DAV: 3 -0.148358556175E+04 0.22699E-01 -0.13450E-01 3104 0.539E-01 0.947E-01
DAV: 4 -0.148357356300E+04 0.11999E-01 -0.44052E-02 3112 0.351E-01 0.348E-01
DAV: 5 -0.148357415045E+04 -0.58745E-03 -0.21740E-02 3008 0.202E-01 0.197E-01
DAV: 6 -0.148357428907E+04 -0.13863E-03 -0.69670E-03 3040 0.117E-01 0.129E-01
DAV: 7 -0.148357433716E+04 -0.48081E-04 -0.77965E-04 2792 0.389E-02 0.677E-02
DAV: 8 -0.148357452454E+04 -0.18739E-03 -0.36216E-04 2832 0.251E-02 0.279E-02
DAV: 9 -0.148357463532E+04 -0.11077E-03 -0.99200E-05 3096 0.180E-02 0.169E-02
DAV: 10 -0.148357477004E+04 -0.13473E-03 -0.10575E-04 2872 0.135E-02 0.149E-02
DAV: 11 -0.148357485029E+04 -0.80242E-04 -0.85359E-06 1968 0.526E-03 0.103E-02
DAV: 12 -0.148357499601E+04 -0.14572E-03 -0.55438E-05 2656 0.102E-02 0.775E-03
DAV: 13 -0.148357502471E+04 -0.28702E-04 -0.10961E-05 2024 0.442E-03 0.785E-03
DAV: 14 -0.148357504891E+04 -0.24203E-04 -0.54373E-06 1896 0.322E-03 0.504E-03
DAV: 15 -0.148357507868E+04 -0.29772E-04 -0.56926E-06 1912 0.390E-03 0.208E-03
DAV: 16 -0.148357510412E+04 -0.25433E-04 -0.61523E-06 1928 0.316E-03 0.327E-03
DAV: 17 -0.148357511727E+04 -0.13150E-04 -0.16172E-06 1872 0.179E-03 0.250E-03
DAV: 18 -0.148357512402E+04 -0.67537E-05 -0.15877E-06 1832 0.170E-03
13 F= -.14835751E+04 E0= -.14835797E+04 d E =-.106605E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.148364605984E+04 -0.70943E-01 -0.32514E+02 2480 0.249E+01 0.407E+00
DAV: 2 -0.148459366297E+04 -0.94760E+00 -0.10741E+01 2840 0.394E+00 0.230E+00
DAV: 3 -0.148454671927E+04 0.46944E-01 -0.19836E-01 3104 0.650E-01 0.156E+00
DAV: 4 -0.148452424744E+04 0.22472E-01 -0.19445E-01 2928 0.647E-01 0.487E-01
DAV: 5 -0.148452760104E+04 -0.33536E-02 -0.59501E-02 2912 0.308E-01 0.365E-01
DAV: 6 -0.148452705698E+04 0.54406E-03 -0.18787E-02 2872 0.173E-01 0.149E-01
DAV: 7 -0.148452691325E+04 0.14373E-03 -0.19712E-03 2968 0.618E-02 0.941E-02
DAV: 8 -0.148452685091E+04 0.62343E-04 -0.78729E-04 2984 0.396E-02 0.385E-02
DAV: 9 -0.148452685017E+04 0.73272E-06 -0.15156E-04 3144 0.178E-02 0.264E-02
DAV: 10 -0.148452685318E+04 -0.30108E-05 -0.74557E-05 2696 0.133E-02
14 F= -.14845269E+04 E0= -.14845316E+04 d E =-.951729E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.148445978830E+04 0.67062E-01 -0.62805E+01 2480 0.110E+01 0.176E+00
DAV: 2 -0.148463587058E+04 -0.17608E+00 -0.20001E+00 2880 0.171E+00 0.100E+00
DAV: 3 -0.148462720114E+04 0.86694E-02 -0.35682E-02 3168 0.279E-01 0.673E-01
DAV: 4 -0.148462301915E+04 0.41820E-02 -0.33109E-02 2904 0.272E-01 0.178E-01
DAV: 5 -0.148462384163E+04 -0.82248E-03 -0.11422E-02 2896 0.134E-01 0.137E-01
DAV: 6 -0.148462382612E+04 0.15510E-04 -0.33540E-03 3104 0.740E-02 0.689E-02
DAV: 7 -0.148462378623E+04 0.39891E-04 -0.46237E-04 3168 0.302E-02 0.476E-02
DAV: 8 -0.148462378571E+04 0.51896E-06 -0.22689E-04 2856 0.197E-02 0.252E-02
DAV: 9 -0.148462379058E+04 -0.48775E-05 -0.32273E-05 2440 0.982E-03
15 F= -.14846238E+04 E0= -.14846287E+04 d E =-.104867E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.148493731639E+04 -0.31353E+00 -0.12821E+02 2480 0.157E+01 0.257E+00
DAV: 2 -0.148529916039E+04 -0.36184E+00 -0.41008E+00 2896 0.246E+00 0.144E+00
DAV: 3 -0.148528261288E+04 0.16548E-01 -0.69602E-02 3160 0.393E-01 0.979E-01
DAV: 4 -0.148527472321E+04 0.78897E-02 -0.58429E-02 2920 0.371E-01 0.233E-01
DAV: 5 -0.148527701185E+04 -0.22886E-02 -0.24013E-02 2944 0.192E-01 0.183E-01
DAV: 6 -0.148527688517E+04 0.12668E-03 -0.35513E-03 2984 0.760E-02 0.961E-02
DAV: 7 -0.148527683993E+04 0.45239E-04 -0.44793E-04 3280 0.325E-02 0.635E-02
DAV: 8 -0.148527682893E+04 0.11008E-04 -0.22690E-04 2920 0.223E-02 0.219E-02
DAV: 9 -0.148527684030E+04 -0.11378E-04 -0.67742E-05 2736 0.115E-02 0.118E-02
DAV: 10 -0.148527685064E+04 -0.10340E-04 -0.22477E-05 2064 0.647E-03 0.616E-03
DAV: 11 -0.148527686335E+04 -0.12709E-04 -0.42621E-06 1680 0.380E-03 0.421E-03
DAV: 12 -0.148527688210E+04 -0.18746E-04 -0.52231E-06 1928 0.453E-03 0.397E-03
DAV: 13 -0.148527689392E+04 -0.11824E-04 -0.49974E-06 1704 0.369E-03 0.270E-03
DAV: 14 -0.148527690137E+04 -0.74503E-05 -0.35671E-06 1640 0.260E-03
16 F= -.14852769E+04 E0= -.14852821E+04 d E =-.653111E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.148496571218E+04 0.31118E+00 -0.24123E+02 2480 0.216E+01 0.359E+00
DAV: 2 -0.148565346513E+04 -0.68775E+00 -0.78182E+00 2848 0.339E+00 0.199E+00
DAV: 3 -0.148562161010E+04 0.31855E-01 -0.13633E-01 3112 0.547E-01 0.135E+00
DAV: 4 -0.148560763590E+04 0.13974E-01 -0.12583E-01 2944 0.533E-01 0.362E-01
DAV: 5 -0.148561134021E+04 -0.37043E-02 -0.45345E-02 2968 0.267E-01 0.288E-01
DAV: 6 -0.148561091839E+04 0.42181E-03 -0.95029E-03 2872 0.124E-01 0.135E-01
DAV: 7 -0.148561082879E+04 0.89606E-04 -0.91127E-04 3088 0.479E-02 0.836E-02
DAV: 8 -0.148561081771E+04 0.11076E-04 -0.46720E-04 2968 0.309E-02 0.286E-02
DAV: 9 -0.148561084448E+04 -0.26767E-04 -0.10961E-04 2952 0.146E-02 0.159E-02
DAV: 10 -0.148561086858E+04 -0.24101E-04 -0.37197E-05 2488 0.852E-03 0.820E-03
DAV: 11 -0.148561089796E+04 -0.29385E-04 -0.71553E-06 1832 0.534E-03 0.604E-03
DAV: 12 -0.148561093776E+04 -0.39795E-04 -0.10862E-05 2088 0.650E-03 0.600E-03
DAV: 13 -0.148561096657E+04 -0.28810E-04 -0.13167E-05 2200 0.598E-03 0.400E-03
DAV: 14 -0.148561098055E+04 -0.13978E-04 -0.62788E-06 1704 0.334E-03 0.388E-03
DAV: 15 -0.148561099302E+04 -0.12469E-04 -0.23271E-06 1776 0.209E-03 0.297E-03
DAV: 16 -0.148561100600E+04 -0.12989E-04 -0.24717E-06 1824 0.230E-03 0.251E-03
DAV: 17 -0.148561100988E+04 -0.38716E-05 -0.13854E-06 1600 0.174E-03
17 F= -.14856110E+04 E0= -.14856165E+04 d E =-.987219E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.148595987912E+04 -0.34887E+00 -0.91575E+01 2480 0.134E+01 0.237E+00
DAV: 2 -0.148621550224E+04 -0.25562E+00 -0.29251E+00 2792 0.210E+00 0.129E+00
DAV: 3 -0.148620236763E+04 0.13135E-01 -0.86927E-02 3128 0.419E-01 0.820E-01
DAV: 4 -0.148619683088E+04 0.55367E-02 -0.24442E-02 3064 0.288E-01 0.313E-01
DAV: 5 -0.148619817310E+04 -0.13422E-02 -0.19620E-02 3040 0.185E-01 0.166E-01
DAV: 6 -0.148619791545E+04 0.25765E-03 -0.37205E-03 2992 0.945E-02 0.916E-02
DAV: 7 -0.148619795321E+04 -0.37761E-04 -0.12771E-03 2832 0.422E-02 0.610E-02
DAV: 8 -0.148619789951E+04 0.53702E-04 -0.16056E-04 3104 0.267E-02 0.228E-02
DAV: 9 -0.148619792828E+04 -0.28769E-04 -0.18856E-04 2992 0.223E-02 0.157E-02
DAV: 10 -0.148619794471E+04 -0.16436E-04 -0.55763E-05 2432 0.974E-03 0.118E-02
DAV: 11 -0.148619796711E+04 -0.22393E-04 -0.13756E-05 1952 0.640E-03 0.768E-03
DAV: 12 -0.148619800827E+04 -0.41164E-04 -0.27999E-05 2424 0.100E-02 0.848E-03
DAV: 13 -0.148619803209E+04 -0.23817E-04 -0.16611E-05 2344 0.733E-03 0.746E-03
DAV: 14 -0.148619805017E+04 -0.18080E-04 -0.19844E-05 2272 0.687E-03 0.520E-03
DAV: 15 -0.148619805459E+04 -0.44196E-05 -0.52383E-06 1520 0.328E-03
18 F= -.14861981E+04 E0= -.14862034E+04 d E =-.587045E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.148603511785E+04 0.16293E+00 -0.17471E+02 2480 0.185E+01 0.329E+00
DAV: 2 -0.148652395200E+04 -0.48883E+00 -0.55894E+00 2808 0.290E+00 0.181E+00
DAV: 3 -0.148649774717E+04 0.26205E-01 -0.16978E-01 3120 0.583E-01 0.115E+00
DAV: 4 -0.148648671581E+04 0.11031E-01 -0.48485E-02 3064 0.400E-01 0.435E-01
DAV: 5 -0.148648916303E+04 -0.24472E-02 -0.37028E-02 3008 0.256E-01 0.227E-01
DAV: 6 -0.148648869693E+04 0.46610E-03 -0.74950E-03 2984 0.134E-01 0.123E-01
DAV: 7 -0.148648876456E+04 -0.67632E-04 -0.23186E-03 2872 0.570E-02 0.828E-02
DAV: 8 -0.148648866093E+04 0.10364E-03 -0.28967E-04 3152 0.357E-02 0.322E-02
DAV: 9 -0.148648870451E+04 -0.43580E-04 -0.31621E-04 3008 0.305E-02 0.199E-02
DAV: 10 -0.148648873722E+04 -0.32714E-04 -0.10940E-04 2688 0.139E-02 0.148E-02
DAV: 11 -0.148648877601E+04 -0.38786E-04 -0.21030E-05 2320 0.836E-03 0.102E-02
DAV: 12 -0.148648885204E+04 -0.76036E-04 -0.41890E-05 2688 0.135E-02 0.957E-03
DAV: 13 -0.148648889596E+04 -0.43912E-04 -0.34077E-05 2648 0.994E-03 0.935E-03
DAV: 14 -0.148648892297E+04 -0.27015E-04 -0.33569E-05 2560 0.835E-03 0.686E-03
DAV: 15 -0.148648893040E+04 -0.74279E-05 -0.63540E-06 1600 0.365E-03
19 F= -.14864889E+04 E0= -.14864940E+04 d E =-.877921E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.148678098854E+04 -0.29207E+00 -0.57353E+01 2480 0.105E+01 0.196E+00
DAV: 2 -0.148694799943E+04 -0.16701E+00 -0.18680E+00 2776 0.166E+00 0.102E+00
DAV: 3 -0.148693750539E+04 0.10494E-01 -0.34812E-02 3112 0.281E-01 0.658E-01
DAV: 4 -0.148693305526E+04 0.44501E-02 -0.30699E-02 3016 0.303E-01 0.135E-01
DAV: 5 -0.148693459710E+04 -0.15418E-02 -0.16494E-02 2888 0.153E-01 0.134E-01
DAV: 6 -0.148693446763E+04 0.12947E-03 -0.10757E-03 3064 0.441E-02 0.862E-02
DAV: 7 -0.148693441152E+04 0.56111E-04 -0.28003E-04 2920 0.243E-02 0.478E-02
DAV: 8 -0.148693438355E+04 0.27968E-04 -0.94400E-05 3032 0.173E-02 0.175E-02
DAV: 9 -0.148693438995E+04 -0.63988E-05 -0.68744E-05 2976 0.151E-02
20 F= -.14869344E+04 E0= -.14869393E+04 d E =-.445460E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.148625784904E+04 0.67653E+00 -0.42221E+02 2480 0.285E+01 0.552E+00
DAV: 2 -0.148755798658E+04 -0.13001E+01 -0.14396E+01 2792 0.456E+00 0.286E+00
DAV: 3 -0.148746952224E+04 0.88464E-01 -0.27477E-01 3112 0.768E-01 0.185E+00
DAV: 4 -0.148743210175E+04 0.37420E-01 -0.31026E-01 3016 0.833E-01 0.510E-01
DAV: 5 -0.148743930374E+04 -0.72020E-02 -0.11624E-01 2968 0.423E-01 0.383E-01
DAV: 6 -0.148743883629E+04 0.46745E-03 -0.15154E-02 3016 0.163E-01 0.189E-01
DAV: 7 -0.148743844904E+04 0.38725E-03 -0.22410E-03 2976 0.664E-02 0.108E-01
DAV: 8 -0.148743822089E+04 0.22816E-03 -0.64681E-04 3160 0.529E-02 0.381E-02
DAV: 9 -0.148743820635E+04 0.14532E-04 -0.46772E-04 3040 0.363E-02 0.300E-02
DAV: 10 -0.148743820590E+04 0.45145E-06 -0.17882E-04 3048 0.232E-02 0.161E-02
DAV: 11 -0.148743824689E+04 -0.40991E-04 -0.95006E-05 3064 0.229E-02 0.184E-02
DAV: 12 -0.148743829884E+04 -0.51950E-04 -0.72875E-05 2960 0.219E-02 0.194E-02
DAV: 13 -0.148743833931E+04 -0.40464E-04 -0.13036E-04 2928 0.189E-02 0.105E-02
DAV: 14 -0.148743835486E+04 -0.15552E-04 -0.46797E-05 2592 0.808E-03 0.916E-03
DAV: 15 -0.148743837558E+04 -0.20724E-04 -0.69396E-06 1880 0.546E-03 0.510E-03
DAV: 16 -0.148743840067E+04 -0.25085E-04 -0.14467E-05 2176 0.581E-03 0.407E-03
DAV: 17 -0.148743841203E+04 -0.11365E-04 -0.42954E-06 1824 0.368E-03 0.181E-03
DAV: 18 -0.148743842498E+04 -0.12951E-04 -0.34383E-06 1848 0.267E-03 0.231E-03
DAV: 19 -0.148743842970E+04 -0.47205E-05 -0.11838E-06 1744 0.175E-03
21 F= -.14874384E+04 E0= -.14874430E+04 d E =-.949499E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.148766469227E+04 -0.22627E+00 -0.66954E+01 2480 0.113E+01 0.209E+00
DAV: 2 -0.148787008974E+04 -0.20540E+00 -0.23114E+00 2792 0.185E+00 0.121E+00
DAV: 3 -0.148785855838E+04 0.11531E-01 -0.48796E-02 3112 0.342E-01 0.786E-01
DAV: 4 -0.148785493504E+04 0.36233E-02 -0.37117E-02 2984 0.300E-01 0.195E-01
DAV: 5 -0.148785614463E+04 -0.12096E-02 -0.13454E-02 2944 0.153E-01 0.126E-01
DAV: 6 -0.148785623463E+04 -0.90001E-04 -0.26824E-03 2976 0.659E-02 0.749E-02
DAV: 7 -0.148785621330E+04 0.21329E-04 -0.31477E-04 3264 0.274E-02 0.509E-02
DAV: 8 -0.148785622007E+04 -0.67717E-05 -0.21896E-04 2784 0.190E-02 0.282E-02
DAV: 9 -0.148785622354E+04 -0.34712E-05 -0.48838E-05 2656 0.131E-02
22 F= -.14878562E+04 E0= -.14878607E+04 d E =-.417794E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.148775023855E+04 0.10598E+00 -0.97991E+01 2480 0.137E+01 0.253E+00
DAV: 2 -0.148804743147E+04 -0.29719E+00 -0.33441E+00 2768 0.223E+00 0.146E+00
DAV: 3 -0.148803076130E+04 0.16670E-01 -0.71807E-02 3136 0.411E-01 0.948E-01
DAV: 4 -0.148802514968E+04 0.56116E-02 -0.53867E-02 3000 0.358E-01 0.237E-01
DAV: 5 -0.148802692687E+04 -0.17772E-02 -0.19839E-02 2928 0.183E-01 0.154E-01
DAV: 6 -0.148802703021E+04 -0.10334E-03 -0.36510E-03 3000 0.769E-02 0.895E-02
DAV: 7 -0.148802701789E+04 0.12313E-04 -0.45291E-04 3264 0.318E-02 0.609E-02
DAV: 8 -0.148802703716E+04 -0.19265E-04 -0.26826E-04 2808 0.218E-02 0.306E-02
DAV: 9 -0.148802705674E+04 -0.19585E-04 -0.78535E-05 3040 0.152E-02 0.164E-02
DAV: 10 -0.148802708388E+04 -0.27134E-04 -0.75670E-05 2768 0.116E-02 0.859E-03
DAV: 11 -0.148802711316E+04 -0.29283E-04 -0.67746E-06 1896 0.489E-03 0.591E-03
DAV: 12 -0.148802716201E+04 -0.48851E-04 -0.10624E-05 2056 0.671E-03 0.320E-03
DAV: 13 -0.148802718479E+04 -0.22778E-04 -0.11013E-05 2160 0.455E-03 0.332E-03
DAV: 14 -0.148802719419E+04 -0.93977E-05 -0.39291E-06 1808 0.264E-03
23 F= -.14880272E+04 E0= -.14880317E+04 d E =-.588764E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.148828510514E+04 -0.25792E+00 -0.54244E+01 2480 0.101E+01 0.207E+00
DAV: 2 -0.148844038092E+04 -0.15528E+00 -0.18077E+00 2896 0.166E+00 0.113E+00
DAV: 3 -0.148843461112E+04 0.57698E-02 -0.51105E-02 3096 0.318E-01 0.736E-01
DAV: 4 -0.148843279959E+04 0.18115E-02 -0.25576E-02 3024 0.249E-01 0.196E-01
DAV: 5 -0.148843342715E+04 -0.62757E-03 -0.77561E-03 2904 0.124E-01 0.132E-01
DAV: 6 -0.148843343581E+04 -0.86569E-05 -0.34533E-03 3040 0.798E-02 0.801E-02
DAV: 7 -0.148843339334E+04 0.42473E-04 -0.47778E-04 3024 0.307E-02 0.443E-02
DAV: 8 -0.148843340571E+04 -0.12370E-04 -0.24586E-04 2832 0.193E-02 0.189E-02
DAV: 9 -0.148843341645E+04 -0.10737E-04 -0.28571E-05 2440 0.109E-02 0.964E-03
DAV: 10 -0.148843343800E+04 -0.21554E-04 -0.52486E-05 2680 0.103E-02 0.970E-03
DAV: 11 -0.148843344993E+04 -0.11933E-04 -0.62586E-06 1840 0.383E-03 0.684E-03
DAV: 12 -0.148843346647E+04 -0.16541E-04 -0.50550E-06 1816 0.328E-03 0.273E-03
DAV: 13 -0.148843348231E+04 -0.15841E-04 -0.44396E-06 1872 0.304E-03 0.222E-03
DAV: 14 -0.148843349143E+04 -0.91161E-05 -0.19543E-06 1856 0.189E-03
24 F= -.14884335E+04 E0= -.14884380E+04 d E =-.406297E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.148841768792E+04 0.15794E-01 -0.58175E+01 2480 0.105E+01 0.214E+00
DAV: 2 -0.148858430363E+04 -0.16662E+00 -0.19420E+00 2904 0.173E+00 0.117E+00
DAV: 3 -0.148857818338E+04 0.61202E-02 -0.57432E-02 3096 0.337E-01 0.760E-01
DAV: 4 -0.148857621911E+04 0.19643E-02 -0.27096E-02 3040 0.257E-01 0.214E-01
DAV: 5 -0.148857687172E+04 -0.65261E-03 -0.80214E-03 2912 0.127E-01 0.139E-01
DAV: 6 -0.148857686999E+04 0.17298E-05 -0.38331E-03 3080 0.855E-02 0.829E-02
DAV: 7 -0.148857683369E+04 0.36303E-04 -0.55143E-04 2944 0.327E-02 0.459E-02
DAV: 8 -0.148857684883E+04 -0.15146E-04 -0.26901E-04 2848 0.202E-02 0.185E-02
DAV: 9 -0.148857686266E+04 -0.13830E-04 -0.31147E-05 2488 0.111E-02 0.942E-03
DAV: 10 -0.148857688640E+04 -0.23742E-04 -0.49902E-05 2672 0.994E-03 0.975E-03
DAV: 11 -0.148857690035E+04 -0.13943E-04 -0.59844E-06 1856 0.385E-03 0.656E-03
DAV: 12 -0.148857692080E+04 -0.20453E-04 -0.56234E-06 1808 0.354E-03 0.246E-03
DAV: 13 -0.148857693796E+04 -0.17158E-04 -0.46283E-06 1896 0.306E-03 0.251E-03
DAV: 14 -0.148857694764E+04 -0.96868E-05 -0.18595E-06 1872 0.186E-03
25 F= -.14885769E+04 E0= -.14885814E+04 d E =-.549753E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.148879713196E+04 -0.22019E+00 -0.73406E+01 2480 0.118E+01 0.229E+00
DAV: 2 -0.148901161709E+04 -0.21449E+00 -0.24353E+00 2912 0.187E+00 0.129E+00
DAV: 3 -0.148900019360E+04 0.11423E-01 -0.62693E-02 3088 0.366E-01 0.821E-01
DAV: 4 -0.148899722601E+04 0.29676E-02 -0.34208E-02 3048 0.275E-01 0.220E-01
DAV: 5 -0.148899865344E+04 -0.14274E-02 -0.14010E-02 3032 0.151E-01 0.145E-01
DAV: 6 -0.148899861838E+04 0.35062E-04 -0.29107E-03 2928 0.751E-02 0.823E-02
DAV: 7 -0.148899858787E+04 0.30514E-04 -0.42061E-04 2984 0.304E-02 0.495E-02
DAV: 8 -0.148899858605E+04 0.18176E-05 -0.22410E-04 2856 0.208E-02 0.193E-02
DAV: 9 -0.148899859982E+04 -0.13769E-04 -0.54515E-05 2728 0.126E-02 0.102E-02
DAV: 10 -0.148899861852E+04 -0.18698E-04 -0.36529E-05 2472 0.819E-03 0.829E-03
DAV: 11 -0.148899863665E+04 -0.18136E-04 -0.37594E-06 1840 0.450E-03 0.502E-03
DAV: 12 -0.148899866748E+04 -0.30829E-04 -0.12597E-05 2120 0.640E-03 0.400E-03
DAV: 13 -0.148899868297E+04 -0.15484E-04 -0.89005E-06 2128 0.383E-03 0.382E-03
DAV: 14 -0.148899869051E+04 -0.75454E-05 -0.28934E-06 1776 0.214E-03
26 F= -.14889987E+04 E0= -.14890032E+04 d E =-.421743E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.148896527091E+04 0.33412E-01 -0.56779E+01 2480 0.103E+01 0.202E+00
DAV: 2 -0.148912941929E+04 -0.16415E+00 -0.18676E+00 2920 0.164E+00 0.113E+00
DAV: 3 -0.148912088593E+04 0.85334E-02 -0.48254E-02 3096 0.321E-01 0.718E-01
DAV: 4 -0.148911878268E+04 0.21033E-02 -0.26370E-02 3048 0.244E-01 0.194E-01
DAV: 5 -0.148911989967E+04 -0.11170E-02 -0.10703E-02 3032 0.132E-01 0.131E-01
DAV: 6 -0.148911985843E+04 0.41240E-04 -0.24002E-03 2952 0.684E-02 0.723E-02
DAV: 7 -0.148911983942E+04 0.19012E-04 -0.35300E-04 2960 0.273E-02 0.433E-02
DAV: 8 -0.148911984325E+04 -0.38304E-05 -0.16796E-04 2848 0.181E-02 0.164E-02
DAV: 9 -0.148911985878E+04 -0.15536E-04 -0.43212E-05 2632 0.111E-02 0.839E-03
DAV: 10 -0.148911987686E+04 -0.18079E-04 -0.24697E-05 2360 0.679E-03 0.687E-03
DAV: 11 -0.148911989651E+04 -0.19652E-04 -0.31239E-06 1848 0.408E-03 0.392E-03
DAV: 12 -0.148911992727E+04 -0.30762E-04 -0.93214E-06 1992 0.556E-03 0.333E-03
DAV: 13 -0.148911994373E+04 -0.16458E-04 -0.78035E-06 2104 0.363E-03 0.277E-03
DAV: 14 -0.148911995034E+04 -0.66104E-05 -0.25837E-06 1752 0.193E-03
27 F= -.14891200E+04 E0= -.14891246E+04 d E =-.543003E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.148933247614E+04 -0.21253E+00 -0.88638E+01 2480 0.129E+01 0.271E+00
DAV: 2 -0.148958935241E+04 -0.25688E+00 -0.29331E+00 2896 0.204E+00 0.142E+00
DAV: 3 -0.148957192401E+04 0.17428E-01 -0.70151E-02 3104 0.394E-01 0.904E-01
DAV: 4 -0.148956879057E+04 0.31334E-02 -0.81235E-02 2968 0.383E-01 0.305E-01
DAV: 5 -0.148956930661E+04 -0.51604E-03 -0.21386E-02 3112 0.193E-01 0.220E-01
DAV: 6 -0.148956930642E+04 0.19081E-06 -0.89311E-03 2912 0.122E-01 0.920E-02
DAV: 7 -0.148956928055E+04 0.25874E-04 -0.71583E-04 2872 0.367E-02 0.586E-02
DAV: 8 -0.148956928439E+04 -0.38404E-05 -0.35048E-04 2888 0.259E-02 0.236E-02
DAV: 9 -0.148956930217E+04 -0.17779E-04 -0.56661E-05 2712 0.115E-02 0.182E-02
DAV: 10 -0.148956931499E+04 -0.12824E-04 -0.28053E-05 2376 0.886E-03 0.107E-02
DAV: 11 -0.148956933093E+04 -0.15938E-04 -0.16844E-05 2192 0.715E-03 0.568E-03
DAV: 12 -0.148956935469E+04 -0.23759E-04 -0.75895E-06 1832 0.711E-03 0.533E-03
DAV: 13 -0.148956937563E+04 -0.20946E-04 -0.92226E-06 1920 0.624E-03 0.506E-03
DAV: 14 -0.148956938447E+04 -0.88376E-05 -0.82526E-06 1936 0.402E-03
28 F= -.14895694E+04 E0= -.14895742E+04 d E =-.449434E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.148948627661E+04 0.83099E-01 -0.85573E+01 2480 0.126E+01 0.267E+00
DAV: 2 -0.148973510136E+04 -0.24882E+00 -0.28368E+00 2912 0.201E+00 0.140E+00
DAV: 3 -0.148971846555E+04 0.16636E-01 -0.67092E-02 3088 0.387E-01 0.888E-01
DAV: 4 -0.148971553796E+04 0.29276E-02 -0.79290E-02 3008 0.383E-01 0.300E-01
DAV: 5 -0.148971607240E+04 -0.53444E-03 -0.21119E-02 3064 0.191E-01 0.224E-01
DAV: 6 -0.148971601675E+04 0.55650E-04 -0.90668E-03 2936 0.125E-01 0.910E-02
DAV: 7 -0.148971600495E+04 0.11798E-04 -0.74381E-04 2872 0.370E-02 0.580E-02
DAV: 8 -0.148971600849E+04 -0.35395E-05 -0.31177E-04 2912 0.249E-02 0.225E-02
DAV: 9 -0.148971602826E+04 -0.19770E-04 -0.60293E-05 2776 0.115E-02 0.175E-02
DAV: 10 -0.148971604068E+04 -0.12418E-04 -0.23986E-05 2344 0.820E-03 0.107E-02
DAV: 11 -0.148971605721E+04 -0.16535E-04 -0.16761E-05 2232 0.712E-03 0.565E-03
DAV: 12 -0.148971608035E+04 -0.23141E-04 -0.74041E-06 1872 0.677E-03 0.525E-03
DAV: 13 -0.148971610189E+04 -0.21541E-04 -0.86361E-06 1888 0.630E-03 0.490E-03
DAV: 14 -0.148971611065E+04 -0.87590E-05 -0.80129E-06 1920 0.382E-03
29 F= -.14897161E+04 E0= -.14897210E+04 d E =-.596160E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.148990154267E+04 -0.18544E+00 -0.84570E+01 2480 0.124E+01 0.267E+00
DAV: 2 -0.149013042019E+04 -0.22888E+00 -0.26393E+00 2928 0.197E+00 0.158E+00
DAV: 3 -0.149011438351E+04 0.16037E-01 -0.10575E-01 3120 0.508E-01 0.949E-01
DAV: 4 -0.149011491208E+04 -0.52856E-03 -0.53333E-02 2984 0.319E-01 0.318E-01
DAV: 5 -0.149011589994E+04 -0.98786E-03 -0.13381E-02 3176 0.161E-01 0.144E-01
DAV: 6 -0.149011615972E+04 -0.25978E-03 -0.36346E-03 2912 0.769E-02 0.769E-02
DAV: 7 -0.149011616460E+04 -0.48797E-05 -0.44383E-04 3168 0.312E-02 0.506E-02
DAV: 8 -0.149011620959E+04 -0.44987E-04 -0.29472E-04 2816 0.245E-02 0.268E-02
DAV: 9 -0.149011622933E+04 -0.19742E-04 -0.50269E-05 2704 0.108E-02 0.186E-02