iterations/neb0_image01_iter131_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 0.366198185367E+03 0.36620E+03 -0.14299E+04 624 0.799E+02
DAV: 2 0.332744643100E+01 -0.36287E+03 -0.34971E+03 839 0.195E+02
DAV: 3 -0.957051486204E+02 -0.99033E+02 -0.98690E+02 674 0.116E+02
DAV: 4 -0.100217667656E+03 -0.45125E+01 -0.45024E+01 704 0.282E+01
DAV: 5 -0.100307596559E+03 -0.89929E-01 -0.89881E-01 744 0.354E+00 0.222E+01
DAV: 6 -0.916823913685E+02 0.86252E+01 -0.31125E+01 685 0.299E+01 0.117E+01
DAV: 7 -0.908766364206E+02 0.80575E+00 -0.18275E+00 720 0.638E+00 0.484E+00
DAV: 8 -0.904984724487E+02 0.37816E+00 -0.55609E-01 712 0.428E+00 0.167E+00
DAV: 9 -0.904150991373E+02 0.83373E-01 -0.13559E-01 712 0.164E+00 0.425E-01
DAV: 10 -0.904101164711E+02 0.49827E-02 -0.45416E-02 712 0.123E+00 0.315E-01
DAV: 11 -0.904140579179E+02 -0.39414E-02 -0.66179E-03 608 0.490E-01 0.136E-01
DAV: 12 -0.904176740308E+02 -0.36161E-02 -0.69656E-03 626 0.485E-01 0.130E-01
DAV: 13 -0.904202451975E+02 -0.25712E-02 -0.15450E-03 848 0.314E-01 0.739E-02
DAV: 14 -0.904232121594E+02 -0.29670E-02 -0.13495E-03 642 0.175E-01 0.593E-02
DAV: 15 -0.904251804751E+02 -0.19683E-02 -0.37151E-04 672 0.114E-01 0.472E-02
DAV: 16 -0.904265544656E+02 -0.13740E-02 -0.81975E-04 661 0.170E-01 0.354E-02
DAV: 17 -0.904273184979E+02 -0.76403E-03 -0.14393E-04 733 0.862E-02 0.246E-02
DAV: 18 -0.904275433311E+02 -0.22483E-03 -0.71149E-05 672 0.416E-02 0.115E-02
DAV: 19 -0.904277336694E+02 -0.19034E-03 -0.50569E-05 633 0.353E-02 0.694E-03
DAV: 20 -0.904277531073E+02 -0.19438E-04 -0.38116E-06 520 0.142E-02 0.685E-03
DAV: 21 -0.904277937888E+02 -0.40681E-04 -0.70718E-06 398 0.150E-02 0.489E-03
DAV: 22 -0.904278055483E+02 -0.11759E-04 -0.43279E-06 477 0.144E-02 0.231E-03
DAV: 23 -0.904278072080E+02 -0.16597E-05 -0.25085E-06 536 0.932E-03
1 F= -.90427807E+02 E0= -.90433199E+02 d E =0.161766E-01