iterations/neb0_image01_iter268_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 0.362781132182E+03 0.36278E+03 -0.14331E+04 632 0.799E+02
DAV: 2 0.399980729605E+01 -0.35878E+03 -0.34463E+03 820 0.195E+02
DAV: 3 -0.954646092325E+02 -0.99464E+02 -0.99108E+02 664 0.116E+02
DAV: 4 -0.100232680632E+03 -0.47681E+01 -0.47550E+01 696 0.294E+01
DAV: 5 -0.100325745970E+03 -0.93065E-01 -0.93027E-01 728 0.371E+00 0.222E+01
DAV: 6 -0.917012853379E+02 0.86245E+01 -0.30949E+01 680 0.299E+01 0.117E+01
DAV: 7 -0.908937399420E+02 0.80755E+00 -0.18362E+00 712 0.638E+00 0.484E+00
DAV: 8 -0.905152155886E+02 0.37852E+00 -0.55415E-01 696 0.430E+00 0.168E+00
DAV: 9 -0.904307997583E+02 0.84416E-01 -0.13574E-01 720 0.165E+00 0.426E-01
DAV: 10 -0.904259000080E+02 0.48998E-02 -0.45585E-02 704 0.124E+00 0.317E-01
DAV: 11 -0.904296921012E+02 -0.37921E-02 -0.65349E-03 608 0.491E-01 0.140E-01
DAV: 12 -0.904333055374E+02 -0.36134E-02 -0.73701E-03 626 0.500E-01 0.133E-01
DAV: 13 -0.904358877540E+02 -0.25822E-02 -0.17355E-03 896 0.326E-01 0.755E-02
DAV: 14 -0.904389170092E+02 -0.30293E-02 -0.12911E-03 642 0.170E-01 0.596E-02
DAV: 15 -0.904408851641E+02 -0.19682E-02 -0.37468E-04 680 0.110E-01 0.468E-02
DAV: 16 -0.904423878766E+02 -0.15027E-02 -0.85628E-04 666 0.174E-01 0.359E-02
DAV: 17 -0.904430938317E+02 -0.70596E-03 -0.12447E-04 680 0.796E-02 0.271E-02
DAV: 18 -0.904433641553E+02 -0.27032E-03 -0.12277E-04 653 0.572E-02 0.879E-03
DAV: 19 -0.904435157059E+02 -0.15155E-03 -0.27047E-05 517 0.269E-02 0.618E-03
DAV: 20 -0.904435498259E+02 -0.34120E-04 -0.51049E-06 472 0.150E-02 0.783E-03
DAV: 21 -0.904435818902E+02 -0.32064E-04 -0.57007E-06 417 0.160E-02 0.441E-03
DAV: 22 -0.904435920398E+02 -0.10150E-04 -0.61795E-06 480 0.143E-02 0.230E-03
DAV: 23 -0.904435932839E+02 -0.12441E-05 -0.12237E-06 536 0.648E-03
1 F= -.90443593E+02 E0= -.90449247E+02 d E =0.169612E-01