./iterations/neb0_image05_iter132_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 0.369142785303E+03 0.36914E+03 -0.14339E+04 640 0.799E+02
DAV: 2 0.399934387307E+01 -0.36514E+03 -0.35224E+03 866 0.193E+02
DAV: 3 -0.942165630157E+02 -0.98216E+02 -0.97820E+02 632 0.116E+02
DAV: 4 -0.990403851909E+02 -0.48238E+01 -0.48098E+01 728 0.302E+01
DAV: 5 -0.991420299018E+02 -0.10164E+00 -0.10160E+00 728 0.390E+00 0.221E+01
DAV: 6 -0.906650113352E+02 0.84770E+01 -0.29321E+01 680 0.293E+01 0.114E+01
DAV: 7 -0.897907139674E+02 0.87430E+00 -0.17967E+00 728 0.661E+00 0.472E+00
DAV: 8 -0.894006423520E+02 0.39007E+00 -0.58945E-01 720 0.437E+00 0.162E+00
DAV: 9 -0.893116972710E+02 0.88945E-01 -0.13960E-01 728 0.167E+00 0.443E-01
DAV: 10 -0.893017053843E+02 0.99919E-02 -0.32977E-02 789 0.985E-01 0.298E-01
DAV: 11 -0.893038863282E+02 -0.21809E-02 -0.66903E-03 637 0.429E-01 0.141E-01
DAV: 12 -0.893051938612E+02 -0.13075E-02 -0.10717E-03 712 0.223E-01 0.101E-01
DAV: 13 -0.893098830452E+02 -0.46892E-02 -0.23916E-03 622 0.290E-01 0.780E-02
DAV: 14 -0.893130910903E+02 -0.32080E-02 -0.49644E-04 752 0.134E-01 0.432E-02
DAV: 15 -0.893159094188E+02 -0.28183E-02 -0.64537E-04 615 0.142E-01 0.321E-02
DAV: 16 -0.893172072665E+02 -0.12978E-02 -0.11135E-04 773 0.753E-02 0.201E-02
DAV: 17 -0.893188057489E+02 -0.15985E-02 -0.29229E-04 628 0.935E-02 0.201E-02
DAV: 18 -0.893191970890E+02 -0.39134E-03 -0.40167E-05 698 0.478E-02 0.106E-02
DAV: 19 -0.893193961913E+02 -0.19910E-03 -0.47229E-05 637 0.365E-02 0.607E-03
DAV: 20 -0.893195135204E+02 -0.11733E-03 -0.92270E-06 452 0.200E-02 0.255E-03
DAV: 21 -0.893195605004E+02 -0.46980E-04 -0.10237E-05 461 0.134E-02 0.318E-03
DAV: 22 -0.893195687921E+02 -0.82918E-05 -0.16243E-06 512 0.797E-03
1 F= -.89319569E+02 E0= -.89327853E+02 d E =0.248522E-01