./iterations/neb0_image08_iter167_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 0.373625548150E+03 0.37363E+03 -0.14277E+04 624 0.799E+02
DAV: 2 0.366488214730E+01 -0.36996E+03 -0.35785E+03 863 0.196E+02
DAV: 3 -0.966988405074E+02 -0.10036E+03 -0.10006E+03 677 0.117E+02
DAV: 4 -0.101217788080E+03 -0.45189E+01 -0.45062E+01 712 0.283E+01
DAV: 5 -0.101306760177E+03 -0.88972E-01 -0.88917E-01 720 0.359E+00 0.227E+01
DAV: 6 -0.926439448129E+02 0.86628E+01 -0.31020E+01 728 0.302E+01 0.119E+01
DAV: 7 -0.917842965125E+02 0.85965E+00 -0.17289E+00 720 0.616E+00 0.479E+00
DAV: 8 -0.914106950296E+02 0.37360E+00 -0.54339E-01 720 0.396E+00 0.162E+00
DAV: 9 -0.913294814009E+02 0.81214E-01 -0.12960E-01 712 0.154E+00 0.421E-01
DAV: 10 -0.913212032730E+02 0.82781E-02 -0.42743E-02 768 0.106E+00 0.294E-01
DAV: 11 -0.913259636682E+02 -0.47604E-02 -0.12197E-02 608 0.575E-01 0.142E-01
DAV: 12 -0.913288528734E+02 -0.28892E-02 -0.26100E-03 633 0.249E-01 0.965E-02
DAV: 13 -0.913322516964E+02 -0.33988E-02 -0.14077E-03 634 0.185E-01 0.466E-02
DAV: 14 -0.913360070687E+02 -0.37554E-02 -0.11366E-03 773 0.234E-01 0.504E-02
DAV: 15 -0.913367126655E+02 -0.70560E-03 -0.29813E-04 712 0.114E-01 0.353E-02
DAV: 16 -0.913376394466E+02 -0.92678E-03 -0.24355E-04 746 0.885E-02 0.141E-02
DAV: 17 -0.913385597238E+02 -0.92028E-03 -0.11102E-04 664 0.490E-02 0.153E-02
DAV: 18 -0.913388285112E+02 -0.26879E-03 -0.28219E-05 608 0.280E-02 0.955E-03
DAV: 19 -0.913389615931E+02 -0.13308E-03 -0.40902E-05 629 0.343E-02 0.728E-03
DAV: 20 -0.913389734475E+02 -0.11854E-04 -0.30371E-06 528 0.144E-02 0.437E-03
DAV: 21 -0.913389913886E+02 -0.17941E-04 -0.48093E-06 407 0.119E-02 0.117E-03
DAV: 22 -0.913389997401E+02 -0.83515E-05 -0.15362E-06 456 0.579E-03
1 F= -.91339000E+02 E0= -.91344505E+02 d E =0.165156E-01