iterations/neb0_image04_iter228_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 0.368132985216E+03 0.36813E+03 -0.14294E+04 624 0.799E+02
DAV: 2 0.157539034732E+01 -0.36656E+03 -0.35495E+03 869 0.195E+02
DAV: 3 -0.960198357280E+02 -0.97595E+02 -0.97306E+02 661 0.116E+02
DAV: 4 -0.100301788329E+03 -0.42820E+01 -0.42727E+01 704 0.279E+01
DAV: 5 -0.100385363716E+03 -0.83575E-01 -0.83541E-01 728 0.349E+00 0.224E+01
DAV: 6 -0.916760674650E+02 0.87093E+01 -0.31173E+01 682 0.299E+01 0.117E+01
DAV: 7 -0.908118559415E+02 0.86421E+00 -0.17875E+00 712 0.652E+00 0.484E+00
DAV: 8 -0.903981365688E+02 0.41372E+00 -0.55018E-01 696 0.451E+00 0.176E+00
DAV: 9 -0.903067318014E+02 0.91405E-01 -0.15803E-01 728 0.202E+00 0.548E-01
DAV: 10 -0.902937698998E+02 0.12962E-01 -0.34882E-02 712 0.991E-01 0.343E-01
DAV: 11 -0.902953934170E+02 -0.16235E-02 -0.11308E-02 712 0.530E-01 0.204E-01
DAV: 12 -0.902988384741E+02 -0.34451E-02 -0.32396E-03 621 0.377E-01 0.126E-01
DAV: 13 -0.903019743765E+02 -0.31359E-02 -0.14092E-03 625 0.285E-01 0.107E-01
DAV: 14 -0.903059438325E+02 -0.39695E-02 -0.27187E-03 742 0.325E-01 0.654E-02
DAV: 15 -0.903073323374E+02 -0.13885E-02 -0.31983E-04 696 0.125E-01 0.441E-02
DAV: 16 -0.903102840527E+02 -0.29517E-02 -0.13422E-03 724 0.233E-01 0.520E-02
DAV: 17 -0.903107224041E+02 -0.43835E-03 -0.17046E-04 696 0.962E-02 0.375E-02
DAV: 18 -0.903113135413E+02 -0.59114E-03 -0.22918E-04 719 0.861E-02 0.110E-02
DAV: 19 -0.903117966904E+02 -0.48315E-03 -0.76711E-05 682 0.469E-02 0.116E-02
DAV: 20 -0.903120068597E+02 -0.21017E-03 -0.16829E-05 514 0.168E-02 0.117E-02
DAV: 21 -0.903120895231E+02 -0.82663E-04 -0.12507E-05 472 0.244E-02 0.455E-03
DAV: 22 -0.903121270452E+02 -0.37522E-04 -0.25219E-05 564 0.269E-02 0.686E-03
DAV: 23 -0.903121306070E+02 -0.35618E-05 -0.15074E-06 536 0.965E-03
1 F= -.90312131E+02 E0= -.90320388E+02 d E =0.247713E-01