./iterations/neb0_image05_iter147_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 0.364727167037E+03 0.36473E+03 -0.14334E+04 640 0.799E+02
DAV: 2 0.157531707893E+01 -0.36315E+03 -0.35035E+03 869 0.192E+02
DAV: 3 -0.949228053938E+02 -0.96498E+02 -0.96166E+02 645 0.115E+02
DAV: 4 -0.994553999273E+02 -0.45326E+01 -0.45176E+01 728 0.288E+01
DAV: 5 -0.995481790398E+02 -0.92779E-01 -0.92737E-01 736 0.369E+00 0.220E+01
DAV: 6 -0.910597975757E+02 0.84884E+01 -0.30403E+01 685 0.299E+01 0.114E+01
DAV: 7 -0.902986914067E+02 0.76111E+00 -0.18769E+00 728 0.642E+00 0.478E+00
DAV: 8 -0.899249225747E+02 0.37377E+00 -0.52625E-01 720 0.417E+00 0.171E+00
DAV: 9 -0.898313119303E+02 0.93611E-01 -0.13759E-01 728 0.162E+00 0.430E-01
DAV: 10 -0.898227837011E+02 0.85282E-02 -0.48817E-02 760 0.129E+00 0.335E-01
DAV: 11 -0.898255527924E+02 -0.27691E-02 -0.57594E-03 616 0.533E-01 0.148E-01
DAV: 12 -0.898285159140E+02 -0.29631E-02 -0.78359E-03 626 0.441E-01 0.140E-01
DAV: 13 -0.898314595911E+02 -0.29437E-02 -0.15209E-03 871 0.316E-01 0.739E-02
DAV: 14 -0.898347996188E+02 -0.33400E-02 -0.12764E-03 652 0.152E-01 0.507E-02
DAV: 15 -0.898380525472E+02 -0.32529E-02 -0.39111E-04 655 0.825E-02 0.411E-02
DAV: 16 -0.898394099578E+02 -0.13574E-02 -0.42068E-04 688 0.111E-01 0.234E-02
DAV: 17 -0.898401419640E+02 -0.73201E-03 -0.86076E-05 658 0.583E-02 0.136E-02
DAV: 18 -0.898405524057E+02 -0.41044E-03 -0.80391E-05 648 0.406E-02 0.948E-03
DAV: 19 -0.898405919653E+02 -0.39560E-04 -0.46511E-06 528 0.205E-02 0.524E-03
DAV: 20 -0.898406866357E+02 -0.94670E-04 -0.31464E-05 582 0.325E-02 0.813E-03
DAV: 21 -0.898407069024E+02 -0.20267E-04 -0.39861E-06 485 0.203E-02 0.372E-03
DAV: 22 -0.898407200345E+02 -0.13132E-04 -0.58217E-06 434 0.125E-02 0.857E-04
DAV: 23 -0.898407259695E+02 -0.59351E-05 -0.12199E-06 461 0.471E-03
1 F= -.89840726E+02 E0= -.89849614E+02 d E =0.266629E-01