iterations/neb0_image08_iter168_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 0.373617617269E+03 0.37362E+03 -0.14277E+04 624 0.799E+02
DAV: 2 0.364844308165E+01 -0.36997E+03 -0.35787E+03 863 0.196E+02
DAV: 3 -0.966980942488E+02 -0.10035E+03 -0.10004E+03 677 0.117E+02
DAV: 4 -0.101216298341E+03 -0.45182E+01 -0.45054E+01 712 0.283E+01
DAV: 5 -0.101305291779E+03 -0.88993E-01 -0.88938E-01 712 0.359E+00 0.227E+01
DAV: 6 -0.926444972207E+02 0.86608E+01 -0.31008E+01 728 0.301E+01 0.119E+01
DAV: 7 -0.917851892673E+02 0.85931E+00 -0.17284E+00 720 0.616E+00 0.479E+00
DAV: 8 -0.914114647460E+02 0.37372E+00 -0.54402E-01 720 0.396E+00 0.162E+00
DAV: 9 -0.913305362302E+02 0.80929E-01 -0.12963E-01 712 0.154E+00 0.420E-01
DAV: 10 -0.913223018148E+02 0.82344E-02 -0.42925E-02 768 0.107E+00 0.295E-01
DAV: 11 -0.913270557155E+02 -0.47539E-02 -0.12292E-02 608 0.578E-01 0.142E-01
DAV: 12 -0.913299395609E+02 -0.28838E-02 -0.26241E-03 633 0.250E-01 0.966E-02
DAV: 13 -0.913333408529E+02 -0.34013E-02 -0.14125E-03 634 0.186E-01 0.467E-02
DAV: 14 -0.913371480865E+02 -0.38072E-02 -0.11660E-03 746 0.238E-01 0.509E-02
DAV: 15 -0.913378174946E+02 -0.66941E-03 -0.29798E-04 712 0.114E-01 0.361E-02
DAV: 16 -0.913386785277E+02 -0.86103E-03 -0.23806E-04 757 0.885E-02 0.144E-02
DAV: 17 -0.913396278492E+02 -0.94932E-03 -0.11910E-04 661 0.510E-02 0.152E-02
DAV: 18 -0.913399065320E+02 -0.27868E-03 -0.28350E-05 608 0.268E-02 0.972E-03
DAV: 19 -0.913400351856E+02 -0.12865E-03 -0.40438E-05 629 0.346E-02 0.698E-03
DAV: 20 -0.913400479828E+02 -0.12797E-04 -0.33467E-06 528 0.154E-02 0.393E-03
DAV: 21 -0.913400638500E+02 -0.15867E-04 -0.41695E-06 410 0.108E-02 0.115E-03
DAV: 22 -0.913400722318E+02 -0.83818E-05 -0.13815E-06 448 0.534E-03
1 F= -.91340072E+02 E0= -.91345517E+02 d E =0.163333E-01