iterations/neb0_image09_iter163_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 0.374040910169E+03 0.37404E+03 -0.14279E+04 624 0.799E+02
DAV: 2 0.329108020497E+01 -0.37075E+03 -0.35795E+03 869 0.196E+02
DAV: 3 -0.964909499153E+02 -0.99782E+02 -0.99451E+02 645 0.117E+02
DAV: 4 -0.101217363263E+03 -0.47264E+01 -0.47153E+01 720 0.295E+01
DAV: 5 -0.101311739087E+03 -0.94376E-01 -0.94335E-01 728 0.377E+00 0.227E+01
DAV: 6 -0.926621009619E+02 0.86496E+01 -0.30921E+01 725 0.301E+01 0.119E+01
DAV: 7 -0.918027506956E+02 0.85935E+00 -0.17217E+00 720 0.614E+00 0.479E+00
DAV: 8 -0.914287470027E+02 0.37400E+00 -0.54124E-01 712 0.394E+00 0.163E+00
DAV: 9 -0.913466590623E+02 0.82088E-01 -0.13179E-01 712 0.156E+00 0.422E-01
DAV: 10 -0.913382884000E+02 0.83707E-02 -0.42995E-02 760 0.108E+00 0.297E-01
DAV: 11 -0.913425667007E+02 -0.42783E-02 -0.11572E-02 616 0.558E-01 0.134E-01
DAV: 12 -0.913457149878E+02 -0.31483E-02 -0.27057E-03 634 0.249E-01 0.999E-02
DAV: 13 -0.913492595766E+02 -0.35446E-02 -0.11076E-03 661 0.172E-01 0.485E-02
DAV: 14 -0.913527691538E+02 -0.35096E-02 -0.85114E-04 656 0.179E-01 0.362E-02
DAV: 15 -0.913539311016E+02 -0.11619E-02 -0.16208E-04 720 0.863E-02 0.346E-02
DAV: 16 -0.913552748173E+02 -0.13437E-02 -0.29677E-04 645 0.934E-02 0.155E-02
DAV: 17 -0.913558144394E+02 -0.53962E-03 -0.68404E-05 680 0.510E-02 0.132E-02
DAV: 18 -0.913560606257E+02 -0.24619E-03 -0.45508E-05 648 0.347E-02 0.909E-03
DAV: 19 -0.913561487629E+02 -0.88137E-04 -0.90235E-06 480 0.164E-02 0.475E-03
DAV: 20 -0.913561860404E+02 -0.37277E-04 -0.65933E-06 448 0.135E-02 0.202E-03
DAV: 21 -0.913562074647E+02 -0.21424E-04 -0.43709E-06 431 0.107E-02 0.201E-03
DAV: 22 -0.913562106371E+02 -0.31723E-05 -0.82432E-07 496 0.436E-03
1 F= -.91356211E+02 E0= -.91360936E+02 d E =0.141748E-01