./iterations/neb0_image04_iter38_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 0.372634206531E+03 0.37263E+03 -0.14328E+04 632 0.799E+02
DAV: 2 0.478852124282E+01 -0.36785E+03 -0.35590E+03 869 0.195E+02
DAV: 3 -0.948701361659E+02 -0.99659E+02 -0.99311E+02 653 0.116E+02
DAV: 4 -0.995414295958E+02 -0.46713E+01 -0.46522E+01 720 0.293E+01
DAV: 5 -0.996330427033E+02 -0.91613E-01 -0.91576E-01 725 0.371E+00 0.224E+01
DAV: 6 -0.910220618717E+02 0.86110E+01 -0.30117E+01 706 0.297E+01 0.117E+01
DAV: 7 -0.901513992918E+02 0.87066E+00 -0.17725E+00 712 0.632E+00 0.483E+00
DAV: 8 -0.897480992622E+02 0.40330E+00 -0.57258E-01 712 0.438E+00 0.169E+00
DAV: 9 -0.896573169680E+02 0.90782E-01 -0.13284E-01 728 0.192E+00 0.502E-01
DAV: 10 -0.896478235185E+02 0.94934E-02 -0.23638E-02 720 0.786E-01 0.328E-01
DAV: 11 -0.896475796729E+02 0.24385E-03 -0.12051E-02 664 0.593E-01 0.184E-01
DAV: 12 -0.896500012909E+02 -0.24216E-02 -0.23142E-03 632 0.318E-01 0.123E-01
DAV: 13 -0.896543582816E+02 -0.43570E-02 -0.38414E-03 636 0.401E-01 0.963E-02
DAV: 14 -0.896578384696E+02 -0.34802E-02 -0.12434E-03 656 0.199E-01 0.552E-02
DAV: 15 -0.896605798598E+02 -0.27414E-02 -0.66681E-04 735 0.161E-01 0.346E-02
DAV: 16 -0.896623519598E+02 -0.17721E-02 -0.15985E-04 690 0.907E-02 0.227E-02
DAV: 17 -0.896637185099E+02 -0.13666E-02 -0.30475E-04 669 0.943E-02 0.200E-02
DAV: 18 -0.896641490180E+02 -0.43051E-03 -0.65405E-05 749 0.576E-02 0.752E-03
DAV: 19 -0.896643619108E+02 -0.21289E-03 -0.37658E-05 581 0.282E-02 0.801E-03
DAV: 20 -0.896644391863E+02 -0.77275E-04 -0.68254E-06 469 0.167E-02 0.563E-03
DAV: 21 -0.896644647671E+02 -0.25581E-04 -0.11224E-05 433 0.222E-02 0.290E-03
DAV: 22 -0.896644792357E+02 -0.14469E-04 -0.27228E-06 450 0.915E-03 0.236E-03
DAV: 23 -0.896644926378E+02 -0.13402E-04 -0.31180E-06 405 0.727E-03 0.139E-03
DAV: 24 -0.896644939886E+02 -0.13508E-05 -0.58913E-07 525 0.364E-03
1 F= -.89664494E+02 E0= -.89674290E+02 d E =0.293894E-01