iterations/neb0_image04_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 0.364735285385E+03 0.36474E+03 -0.14354E+04 640 0.799E+02
DAV: 2 0.131401195933E+01 -0.36342E+03 -0.35059E+03 874 0.194E+02
DAV: 3 -0.957337003272E+02 -0.97048E+02 -0.96722E+02 661 0.115E+02
DAV: 4 -0.100109855612E+03 -0.43762E+01 -0.43649E+01 720 0.283E+01
DAV: 5 -0.100193833757E+03 -0.83978E-01 -0.83946E-01 736 0.356E+00 0.223E+01
DAV: 6 -0.915275986459E+02 0.86662E+01 -0.30687E+01 680 0.297E+01 0.116E+01
DAV: 7 -0.906726106072E+02 0.85499E+00 -0.18203E+00 712 0.632E+00 0.483E+00
DAV: 8 -0.902685859686E+02 0.40402E+00 -0.56169E-01 696 0.426E+00 0.164E+00
DAV: 9 -0.901730869568E+02 0.95499E-01 -0.13195E-01 720 0.174E+00 0.435E-01
DAV: 10 -0.901640530948E+02 0.90339E-02 -0.46882E-02 712 0.111E+00 0.342E-01
DAV: 11 -0.901702317072E+02 -0.61786E-02 -0.17028E-02 672 0.883E-01 0.219E-01
DAV: 12 -0.901702697414E+02 -0.38034E-04 -0.46502E-03 656 0.422E-01 0.147E-01
DAV: 13 -0.901738682201E+02 -0.35985E-02 -0.50312E-03 615 0.400E-01 0.932E-02
DAV: 14 -0.901776183008E+02 -0.37501E-02 -0.90222E-04 650 0.157E-01 0.616E-02
DAV: 15 -0.901801246701E+02 -0.25064E-02 -0.53514E-04 672 0.125E-01 0.253E-02
DAV: 16 -0.901820956835E+02 -0.19710E-02 -0.31149E-04 663 0.960E-02 0.256E-02
DAV: 17 -0.901829507223E+02 -0.85504E-03 -0.91548E-05 677 0.579E-02 0.126E-02
DAV: 18 -0.901833987675E+02 -0.44805E-03 -0.98718E-05 652 0.524E-02 0.104E-02
DAV: 19 -0.901835069849E+02 -0.10822E-03 -0.76439E-06 482 0.184E-02 0.714E-03
DAV: 20 -0.901835968203E+02 -0.89835E-04 -0.17694E-05 466 0.239E-02 0.238E-03
DAV: 21 -0.901836392592E+02 -0.42439E-04 -0.50740E-06 453 0.109E-02 0.255E-03
DAV: 22 -0.901836533588E+02 -0.14100E-04 -0.24640E-06 472 0.780E-03 0.180E-03
DAV: 23 -0.901836575781E+02 -0.42193E-05 -0.10588E-06 450 0.639E-03
1 F= -.90183658E+02 E0= -.90192912E+02 d E =0.277618E-01