./iterations/neb0_image04_iter40_OSZICAR.out output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.373229447308E+03 0.37323E+03 -0.14331E+04 632 0.799E+02
DAV: 2 0.485898423155E+01 -0.36837E+03 -0.35642E+03 869 0.195E+02
DAV: 3 -0.948269492815E+02 -0.99686E+02 -0.99342E+02 645 0.117E+02
DAV: 4 -0.995607966268E+02 -0.47338E+01 -0.47151E+01 720 0.298E+01
DAV: 5 -0.996534212647E+02 -0.92625E-01 -0.92587E-01 725 0.378E+00 0.225E+01
DAV: 6 -0.910261136029E+02 0.86273E+01 -0.30069E+01 706 0.297E+01 0.118E+01
DAV: 7 -0.901530141251E+02 0.87310E+00 -0.17867E+00 704 0.633E+00 0.483E+00
DAV: 8 -0.897549406280E+02 0.39807E+00 -0.56882E-01 712 0.440E+00 0.172E+00
DAV: 9 -0.896639535842E+02 0.90987E-01 -0.13785E-01 728 0.188E+00 0.544E-01
DAV: 10 -0.896526377123E+02 0.11316E-01 -0.22393E-02 728 0.785E-01 0.332E-01
DAV: 11 -0.896523040299E+02 0.33368E-03 -0.11904E-02 664 0.584E-01 0.195E-01
DAV: 12 -0.896549278897E+02 -0.26239E-02 -0.28674E-03 672 0.330E-01 0.115E-01
DAV: 13 -0.896593988496E+02 -0.44710E-02 -0.32888E-03 612 0.324E-01 0.997E-02
DAV: 14 -0.896624302263E+02 -0.30314E-02 -0.91295E-04 672 0.192E-01 0.436E-02
DAV: 15 -0.896655390009E+02 -0.31088E-02 -0.72605E-04 649 0.151E-01 0.414E-02
DAV: 16 -0.896671331765E+02 -0.15942E-02 -0.17642E-04 837 0.998E-02 0.190E-02
DAV: 17 -0.896684491203E+02 -0.13159E-02 -0.21499E-04 674 0.699E-02 0.193E-02
DAV: 18 -0.896689296547E+02 -0.48053E-03 -0.33390E-05 605 0.403E-02 0.107E-02
DAV: 19 -0.896692952855E+02 -0.36563E-03 -0.10137E-04 650 0.563E-02 0.143E-02
DAV: 20 -0.896693573595E+02 -0.62074E-04 -0.93496E-06 501 0.268E-02 0.912E-03
DAV: 21 -0.896693932101E+02 -0.35851E-04 -0.17261E-05 445 0.243E-02 0.235E-03
DAV: 22 -0.896694351741E+02 -0.41964E-04 -0.58987E-06 411 0.125E-02 0.215E-03
DAV: 23 -0.896694542592E+02 -0.19085E-04 -0.24457E-06 461 0.602E-03 0.240E-03
DAV: 24 -0.896694587019E+02 -0.44427E-05 -0.95945E-07 460 0.728E-03
1 F= -.89669459E+02 E0= -.89681332E+02 d E =0.356185E-01