iterations/neb0_image07_iter50_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 0.373767022476E+03 0.37377E+03 -0.14307E+04 632 0.799E+02
DAV: 2 0.380428364222E+01 -0.36996E+03 -0.35710E+03 861 0.195E+02
DAV: 3 -0.962658444774E+02 -0.10007E+03 -0.99731E+02 672 0.117E+02
DAV: 4 -0.100707662099E+03 -0.44418E+01 -0.44313E+01 704 0.283E+01
DAV: 5 -0.100796138643E+03 -0.88477E-01 -0.88439E-01 728 0.357E+00 0.226E+01
DAV: 6 -0.922354729833E+02 0.85607E+01 -0.30592E+01 690 0.302E+01 0.118E+01
DAV: 7 -0.913785824958E+02 0.85689E+00 -0.16550E+00 728 0.616E+00 0.481E+00
DAV: 8 -0.909963387999E+02 0.38224E+00 -0.56776E-01 704 0.414E+00 0.162E+00
DAV: 9 -0.909111206545E+02 0.85218E-01 -0.13032E-01 712 0.157E+00 0.430E-01
DAV: 10 -0.909009314320E+02 0.10189E-01 -0.49144E-02 728 0.112E+00 0.314E-01
DAV: 11 -0.909055639440E+02 -0.46325E-02 -0.13175E-02 613 0.616E-01 0.148E-01
DAV: 12 -0.909083267315E+02 -0.27628E-02 -0.32957E-03 603 0.269E-01 0.147E-01
DAV: 13 -0.909121573072E+02 -0.38306E-02 -0.29601E-03 725 0.335E-01 0.572E-02
DAV: 14 -0.909144325974E+02 -0.22753E-02 -0.53215E-04 672 0.118E-01 0.522E-02
DAV: 15 -0.909174157846E+02 -0.29832E-02 -0.39480E-04 637 0.941E-02 0.350E-02
DAV: 16 -0.909185195957E+02 -0.11038E-02 -0.28104E-04 677 0.846E-02 0.204E-02
DAV: 17 -0.909192045833E+02 -0.68499E-03 -0.80349E-05 650 0.484E-02 0.105E-02
DAV: 18 -0.909194851331E+02 -0.28055E-03 -0.33284E-05 597 0.229E-02 0.713E-03
DAV: 19 -0.909195195456E+02 -0.34412E-04 -0.31751E-06 528 0.124E-02 0.389E-03
DAV: 20 -0.909195811338E+02 -0.61588E-04 -0.88506E-06 406 0.147E-02 0.272E-03
DAV: 21 -0.909195893387E+02 -0.82049E-05 -0.16540E-06 504 0.677E-03
1 F= -.90919589E+02 E0= -.90924637E+02 d E =0.151416E-01