./iterations/neb0_image02_iter32_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 0.367825069988E+03 0.36783E+03 -0.14293E+04 624 0.799E+02
DAV: 2 0.472666776540E+01 -0.36310E+03 -0.34833E+03 831 0.195E+02
DAV: 3 -0.955935717674E+02 -0.10032E+03 -0.99983E+02 688 0.117E+02
DAV: 4 -0.100080852256E+03 -0.44873E+01 -0.44766E+01 712 0.279E+01
DAV: 5 -0.100167034311E+03 -0.86182E-01 -0.86140E-01 736 0.348E+00 0.223E+01
DAV: 6 -0.915613555259E+02 0.86057E+01 -0.30716E+01 704 0.298E+01 0.117E+01
DAV: 7 -0.907218133228E+02 0.83954E+00 -0.18105E+00 712 0.638E+00 0.483E+00
DAV: 8 -0.903316402699E+02 0.39017E+00 -0.57761E-01 688 0.435E+00 0.168E+00
DAV: 9 -0.902422517707E+02 0.89388E-01 -0.14209E-01 704 0.167E+00 0.441E-01
DAV: 10 -0.902353984111E+02 0.68534E-02 -0.39488E-02 712 0.122E+00 0.307E-01
DAV: 11 -0.902389430590E+02 -0.35446E-02 -0.65922E-03 616 0.448E-01 0.162E-01
DAV: 12 -0.902420775061E+02 -0.31344E-02 -0.61364E-03 616 0.472E-01 0.117E-01
DAV: 13 -0.902453213809E+02 -0.32439E-02 -0.89945E-04 706 0.265E-01 0.782E-02
DAV: 14 -0.902484691784E+02 -0.31478E-02 -0.17845E-03 637 0.204E-01 0.571E-02
DAV: 15 -0.902508944519E+02 -0.24253E-02 -0.56084E-04 861 0.179E-01 0.293E-02
DAV: 16 -0.902521122448E+02 -0.12178E-02 -0.24681E-04 664 0.782E-02 0.281E-02
DAV: 17 -0.902530668424E+02 -0.95460E-03 -0.12666E-04 653 0.536E-02 0.199E-02
DAV: 18 -0.902533246632E+02 -0.25782E-03 -0.11168E-04 680 0.652E-02 0.105E-02
DAV: 19 -0.902535107531E+02 -0.18609E-03 -0.23334E-05 495 0.241E-02 0.103E-02
DAV: 20 -0.902535542803E+02 -0.43527E-04 -0.60816E-06 488 0.131E-02 0.740E-03
DAV: 21 -0.902535925443E+02 -0.38264E-04 -0.11745E-05 419 0.206E-02 0.160E-03
DAV: 22 -0.902536010691E+02 -0.85248E-05 -0.43804E-06 496 0.115E-02
1 F= -.90253601E+02 E0= -.90260349E+02 d E =0.202451E-01