iterations/neb0_image07_iter25_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 0.370242070500E+03 0.37024E+03 -0.14288E+04 632 0.799E+02
DAV: 2 0.332618906660E+01 -0.36692E+03 -0.35419E+03 861 0.195E+02
DAV: 3 -0.954483966555E+02 -0.98775E+02 -0.98418E+02 648 0.116E+02
DAV: 4 -0.100078523622E+03 -0.46301E+01 -0.46174E+01 720 0.293E+01
DAV: 5 -0.100171372966E+03 -0.92849E-01 -0.92818E-01 728 0.372E+00 0.223E+01
DAV: 6 -0.916106282171E+02 0.85607E+01 -0.30715E+01 696 0.304E+01 0.116E+01
DAV: 7 -0.907976014293E+02 0.81303E+00 -0.16521E+00 720 0.626E+00 0.475E+00
DAV: 8 -0.904299928943E+02 0.36761E+00 -0.54458E-01 696 0.404E+00 0.165E+00
DAV: 9 -0.903438580366E+02 0.86135E-01 -0.13001E-01 704 0.159E+00 0.429E-01
DAV: 10 -0.903339873221E+02 0.98707E-02 -0.33144E-02 744 0.904E-01 0.279E-01
DAV: 11 -0.903383772310E+02 -0.43899E-02 -0.11564E-02 605 0.608E-01 0.173E-01
DAV: 12 -0.903397288036E+02 -0.13516E-02 -0.23459E-03 680 0.314E-01 0.928E-02
DAV: 13 -0.903445951237E+02 -0.48663E-02 -0.36127E-03 606 0.346E-01 0.868E-02
DAV: 14 -0.903459787243E+02 -0.13836E-02 -0.53289E-04 824 0.213E-01 0.463E-02
DAV: 15 -0.903488357521E+02 -0.28570E-02 -0.93352E-04 620 0.172E-01 0.370E-02
DAV: 16 -0.903502659191E+02 -0.14302E-02 -0.13219E-04 808 0.821E-02 0.246E-02
DAV: 17 -0.903514196090E+02 -0.11537E-02 -0.22365E-04 669 0.832E-02 0.122E-02
DAV: 18 -0.903518750703E+02 -0.45546E-03 -0.44214E-05 688 0.338E-02 0.129E-02
DAV: 19 -0.903520124225E+02 -0.13735E-03 -0.15989E-05 453 0.257E-02 0.657E-03
DAV: 20 -0.903520776441E+02 -0.65222E-04 -0.23420E-05 525 0.266E-02 0.455E-03
DAV: 21 -0.903521046510E+02 -0.27007E-04 -0.30244E-06 442 0.106E-02 0.369E-03
DAV: 22 -0.903521135617E+02 -0.89107E-05 -0.19522E-06 472 0.744E-03
1 F= -.90352114E+02 E0= -.90357787E+02 d E =0.170211E-01