iterations/neb0_image03_iter166_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 0.364465347283E+03 0.36447E+03 -0.14321E+04 632 0.799E+02
DAV: 2 0.174809916197E+00 -0.36429E+03 -0.35399E+03 869 0.195E+02
DAV: 3 -0.961641481641E+02 -0.96339E+02 -0.96039E+02 677 0.115E+02
DAV: 4 -0.100247662800E+03 -0.40835E+01 -0.40737E+01 704 0.270E+01
DAV: 5 -0.100327868590E+03 -0.80206E-01 -0.80170E-01 736 0.340E+00 0.222E+01
DAV: 6 -0.917138016269E+02 0.86141E+01 -0.30901E+01 680 0.299E+01 0.117E+01
DAV: 7 -0.908737437767E+02 0.84006E+00 -0.18177E+00 704 0.636E+00 0.484E+00
DAV: 8 -0.904763394698E+02 0.39740E+00 -0.54146E-01 704 0.425E+00 0.168E+00
DAV: 9 -0.903793850916E+02 0.96954E-01 -0.13821E-01 720 0.191E+00 0.438E-01
DAV: 10 -0.903716838233E+02 0.77013E-02 -0.45376E-02 712 0.115E+00 0.340E-01
DAV: 11 -0.903773609015E+02 -0.56771E-02 -0.17400E-02 605 0.828E-01 0.206E-01
DAV: 12 -0.903778651415E+02 -0.50424E-03 -0.45722E-03 656 0.404E-01 0.151E-01
DAV: 13 -0.903819734744E+02 -0.41083E-02 -0.69734E-03 624 0.558E-01 0.109E-01
DAV: 14 -0.903845220322E+02 -0.25486E-02 -0.10903E-03 685 0.207E-01 0.826E-02
DAV: 15 -0.903869852095E+02 -0.24632E-02 -0.96028E-04 650 0.170E-01 0.276E-02
DAV: 16 -0.903887903094E+02 -0.18051E-02 -0.30805E-04 672 0.918E-02 0.289E-02
DAV: 17 -0.903900002511E+02 -0.12099E-02 -0.12762E-04 738 0.861E-02 0.256E-02
DAV: 18 -0.903902989443E+02 -0.29869E-03 -0.12596E-04 712 0.813E-02 0.125E-02
DAV: 19 -0.903905247751E+02 -0.22583E-03 -0.61712E-05 642 0.579E-02 0.873E-03
DAV: 20 -0.903905877834E+02 -0.63008E-04 -0.16587E-05 504 0.379E-02 0.926E-03
DAV: 21 -0.903906365343E+02 -0.48751E-04 -0.25927E-05 556 0.453E-02 0.912E-03
DAV: 22 -0.903906546537E+02 -0.18119E-04 -0.17112E-05 520 0.335E-02 0.398E-03
DAV: 23 -0.903906547183E+02 -0.64689E-07 -0.17336E-05 496 0.348E-02
1 F= -.90390655E+02 E0= -.90396904E+02 d E =0.187476E-01