iterations/neb0_image05_iter6_OSZICAR.out output for 39: 512-->524:: F2 + Si-NH-Si on surface slat V5 (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.209403756962E+04 0.20940E+04 -0.11608E+05 1704 0.105E+03
DAV: 2 -0.137186896221E+03 -0.22312E+04 -0.21400E+04 2136 0.262E+02
DAV: 3 -0.462646960561E+03 -0.32546E+03 -0.32067E+03 1864 0.107E+02
DAV: 4 -0.475753942857E+03 -0.13107E+02 -0.13050E+02 1968 0.228E+01
DAV: 5 -0.476248447509E+03 -0.49450E+00 -0.49425E+00 2144 0.387E+00 0.432E+01
DAV: 6 -0.447053016104E+03 0.29195E+02 -0.14876E+02 2040 0.319E+01 0.311E+01
DAV: 7 -0.447510889398E+03 -0.45787E+00 -0.10123E+02 1936 0.146E+01 0.173E+01
DAV: 8 -0.444220243005E+03 0.32906E+01 -0.76440E+00 2056 0.109E+01 0.101E+01
DAV: 9 -0.443570697055E+03 0.64955E+00 -0.12235E+01 2096 0.646E+00 0.670E+00
DAV: 10 -0.443269710237E+03 0.30099E+00 -0.37292E+00 1872 0.307E+00 0.849E+00
DAV: 11 -0.443291227339E+03 -0.21517E-01 -0.84948E+00 2192 0.167E+00 0.351E+00
DAV: 12 -0.443316416009E+03 -0.25189E-01 -0.34388E-01 2048 0.132E+00 0.198E+00
DAV: 13 -0.443275618314E+03 0.40798E-01 -0.25532E-01 2152 0.103E+00 0.247E+00
DAV: 14 -0.443237560530E+03 0.38058E-01 -0.22693E-01 1888 0.655E-01 0.101E+00
DAV: 15 -0.443236614089E+03 0.94644E-03 -0.20967E-02 1896 0.271E-01 0.899E-01
DAV: 16 -0.443220844547E+03 0.15770E-01 -0.22403E-02 2120 0.256E-01 0.110E+00
DAV: 17 -0.443204446503E+03 0.16398E-01 -0.83815E-03 1936 0.161E-01 0.811E-01
DAV: 18 -0.443204217385E+03 0.22912E-03 -0.16595E-03 1904 0.681E-02 0.635E-01
DAV: 19 -0.443217904610E+03 -0.13687E-01 -0.15794E-02 2328 0.179E-01 0.113E+00
DAV: 20 -0.443228640419E+03 -0.10736E-01 -0.51197E-03 1984 0.131E-01 0.965E-01
DAV: 21 -0.443249867249E+03 -0.21227E-01 -0.11872E-02 2240 0.191E-01 0.104E+00
DAV: 22 -0.443271424856E+03 -0.21558E-01 -0.10084E-02 2152 0.188E-01 0.130E+00
DAV: 23 -0.443254407565E+03 0.17017E-01 -0.69474E-03 1944 0.147E-01 0.117E+00
DAV: 24 -0.443228589556E+03 0.25818E-01 -0.18102E-02 2336 0.251E-01 0.115E+00
DAV: 25 -0.443218661976E+03 0.99276E-02 -0.11472E-02 1952 0.134E-01 0.882E-01
DAV: 26 -0.443227738944E+03 -0.90770E-02 -0.10323E-01 2208 0.174E-01 0.319E+00
DAV: 27 -0.443201879468E+03 0.25859E-01 -0.60509E-03 1728 0.147E-01 0.384E+00
DAV: 28 -0.443180144212E+03 0.21735E-01 -0.37475E-04 1832 0.427E-02 0.380E+00
DAV: 29 -0.443181733168E+03 -0.15890E-02 -0.26551E-03 1696 0.266E-02 0.441E+00
DAV: 30 -0.443182217490E+03 -0.48432E-03 -0.79503E-03 1912 0.452E-02 0.540E+00
DAV: 31 -0.443162505698E+03 0.19712E-01 -0.24378E-04 1696 0.397E-02 0.547E+00
DAV: 32 -0.443152391133E+03 0.10115E-01 -0.96455E-04 1200 0.152E-02 0.515E+00
DAV: 33 -0.443188569890E+03 -0.36179E-01 -0.48501E-02 1984 0.740E-02 0.723E+00
DAV: 34 -0.443155768160E+03 0.32802E-01 -0.43826E-03 1696 0.845E-02 0.775E+00
DAV: 35 -0.443149057590E+03 0.67106E-02 -0.78768E-03 1832 0.515E-02 0.858E+00
DAV: 36 -0.443121796178E+03 0.27261E-01 -0.34630E-04 1712 0.345E-02 0.844E+00
DAV: 37 -0.443217784902E+03 -0.95989E-01 -0.11674E-01 2024 0.875E-02 0.121E+01
DAV: 38 -0.443122959629E+03 0.94825E-01 -0.57656E-03 1704 0.121E-01 0.118E+01
DAV: 39 -0.443178887051E+03 -0.55927E-01 -0.32037E-02 1984 0.599E-02 0.137E+01
DAV: 40 -0.443184886117E+03 -0.59991E-02 -0.12823E-02 1768 0.721E-02 0.147E+01
DAV: 41 -0.443152434006E+03 0.32452E-01 -0.33328E-04 1744 0.390E-02 0.147E+01
DAV: 42 -0.443211525982E+03 -0.59092E-01 -0.12868E-02 1920 0.468E-02 0.157E+01
DAV: 43 -0.443173986315E+03 0.37540E-01 -0.86216E-04 1800 0.459E-02 0.155E+01
DAV: 44 -0.443079853520E+03 0.94133E-01 -0.45370E-02 2144 0.819E-02 0.139E+01
DAV: 45 -0.443081951173E+03 -0.20977E-02 -0.27832E-03 1712 0.610E-02 0.134E+01
DAV: 46 -0.443098477815E+03 -0.16527E-01 -0.84695E-05 1568 0.178E-02 0.134E+01
DAV: 47 -0.443083252684E+03 0.15225E-01 -0.20034E-03 1584 0.213E-02 0.130E+01
DAV: 48 -0.443025506055E+03 0.57747E-01 -0.34147E-02 1944 0.755E-02 0.109E+01
DAV: 49 -0.443020923803E+03 0.45823E-02 -0.46178E-02 1736 0.119E-01 0.844E+00
DAV: 50 -0.443061375391E+03 -0.40452E-01 -0.55911E-02 1720 0.145E-01 0.628E+00
DAV: 51 -0.443102012329E+03 -0.40637E-01 -0.66204E-02 1864 0.159E-01 0.351E+00
DAV: 52 -0.443163776512E+03 -0.61764E-01 -0.10142E-02 1672 0.137E-01 0.213E+00
DAV: 53 -0.443196684740E+03 -0.32908E-01 -0.33900E-03 1936 0.871E-02 0.269E+00
DAV: 54 -0.443205133977E+03 -0.84492E-02 -0.30978E-03 1968 0.667E-02 0.331E+00
DAV: 55 -0.443195270184E+03 0.98638E-02 -0.47141E-03 1776 0.400E-02 0.225E+00
DAV: 56 -0.443214133780E+03 -0.18864E-01 -0.36972E-03 1912 0.667E-02 0.327E+00
DAV: 57 -0.443198748568E+03 0.15385E-01 -0.69268E-03 1864 0.551E-02 0.197E+00
DAV: 58 -0.443206090455E+03 -0.73419E-02 -0.20984E-04 1768 0.404E-02 0.200E+00
DAV: 59 -0.443202171836E+03 0.39186E-02 -0.24718E-03 1976 0.563E-02 0.132E+00
DAV: 60 -0.443206818961E+03 -0.46471E-02 -0.28238E-04 1840 0.380E-02 0.143E+00
DAV: 61 -0.443210929491E+03 -0.41105E-02 -0.19809E-03 1688 0.318E-02 0.213E+00
DAV: 62 -0.443203773695E+03 0.71558E-02 -0.10926E-03 1640 0.306E-02 0.163E+00
DAV: 63 -0.443205118433E+03 -0.13447E-02 -0.42057E-04 1500 0.179E-02 0.132E+00
DAV: 64 -0.443207644784E+03 -0.25264E-02 -0.29000E-05 1252 0.168E-02 0.131E+00
DAV: 65 -0.443208464000E+03 -0.81922E-03 -0.25987E-05 924 0.646E-03 0.138E+00
DAV: 66 -0.443206551768E+03 0.19122E-02 -0.14241E-02 1944 0.495E-02 0.580E-01
DAV: 67 -0.443209801347E+03 -0.32496E-02 -0.57217E-04 1744 0.598E-02 0.641E-01
DAV: 68 -0.443209183172E+03 0.61818E-03 -0.32212E-04 1800 0.280E-02 0.738E-01
DAV: 69 -0.443210086815E+03 -0.90364E-03 -0.89814E-04 1888 0.445E-02 0.880E-01
DAV: 70 -0.443210288260E+03 -0.20145E-03 -0.22836E-04 1680 0.250E-02 0.926E-01
DAV: 71 -0.443211713394E+03 -0.14251E-02 -0.92037E-03 1872 0.209E-01 0.612E-01
DAV: 72 -0.443213800898E+03 -0.20875E-02 -0.10403E-03 1904 0.649E-02 0.643E-01
DAV: 73 -0.443213670660E+03 0.13024E-03 -0.80874E-05 1408 0.137E-02 0.601E-01
DAV: 74 -0.443212691590E+03 0.97907E-03 -0.73931E-04 1888 0.331E-02 0.510E-01
DAV: 75 -0.443211780659E+03 0.91093E-03 -0.22800E-04 1808 0.243E-02 0.521E-01
DAV: 76 -0.443210748472E+03 0.10322E-02 -0.62397E-04 1720 0.237E-02 0.590E-01
DAV: 77 -0.443209463071E+03 0.12854E-02 -0.49382E-04 2064 0.456E-02 0.535E-01
DAV: 78 -0.443210117421E+03 -0.65435E-03 -0.20208E-04 1976 0.253E-02 0.529E-01
DAV: 79 -0.443210634410E+03 -0.51699E-03 -0.97497E-06 1000 0.737E-03 0.529E-01
DAV: 80 -0.443210872295E+03 -0.23788E-03 -0.13533E-05 972 0.478E-03 0.532E-01
DAV: 81 -0.443210698628E+03 0.17367E-03 -0.12830E-04 1388 0.170E-02 0.528E-01
DAV: 82 -0.443210017646E+03 0.68098E-03 -0.51062E-05 1284 0.128E-02 0.530E-01
DAV: 83 -0.443209314438E+03 0.70321E-03 -0.26184E-04 1244 0.144E-02 0.540E-01
DAV: 84 -0.443208154614E+03 0.11598E-02 -0.50239E-04 1572 0.199E-02 0.560E-01
DAV: 85 -0.443206939061E+03 0.12156E-02 -0.21389E-05 1092 0.944E-03 0.559E-01
DAV: 86 -0.443206744832E+03 0.19423E-03 -0.37395E-04 1520 0.199E-02 0.542E-01
DAV: 87 -0.443207628337E+03 -0.88350E-03 -0.27116E-05 1108 0.101E-02 0.542E-01
DAV: 88 -0.443207597861E+03 0.30476E-04 -0.13053E-05 948 0.403E-03 0.542E-01
DAV: 89 -0.443207720137E+03 -0.12228E-03 -0.10088E-04 1108 0.850E-03 0.538E-01
DAV: 90 -0.443208748162E+03 -0.10280E-02 -0.47509E-04 1508 0.201E-02 0.530E-01
DAV: 91 -0.443211857524E+03 -0.31094E-02 -0.30605E-03 2040 0.573E-02 0.572E-01
DAV: 92 -0.443214414172E+03 -0.25566E-02 -0.18352E-04 1664 0.261E-02 0.578E-01
DAV: 93 -0.443214320007E+03 0.94164E-04 -0.96143E-05 1380 0.181E-02 0.577E-01
DAV: 94 -0.443213296950E+03 0.10231E-02 -0.16468E-04 1500 0.194E-02 0.573E-01
DAV: 95 -0.443212099989E+03 0.11970E-02 -0.16896E-04 1548 0.166E-02 0.552E-01
DAV: 96 -0.443211438802E+03 0.66119E-03 -0.62328E-05 1244 0.113E-02 0.564E-01
DAV: 97 -0.443210393112E+03 0.10457E-02 -0.42827E-04 1608 0.248E-02 0.467E-01
DAV: 98 -0.443209986732E+03 0.40638E-03 -0.20793E-03 1880 0.449E-02 0.197E-01
DAV: 99 -0.443210727648E+03 -0.74092E-03 -0.37783E-04 1584 0.284E-02 0.901E-02
DAV: 100 -0.443210822055E+03 -0.94407E-04 -0.10918E-04 1124 0.100E-02 0.686E-02
DAV: 101 -0.443210841371E+03 -0.19316E-04 -0.28038E-05 1124 0.733E-03 0.252E-02
DAV: 102 -0.443210848235E+03 -0.68641E-05 -0.62368E-06 944 0.609E-03
1 F= -.44321085E+03 E0= -.44320751E+03 d E =-.100221E-01