iterations/neb0_image03_iter29_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 0.367940873117E+03 0.36794E+03 -0.14325E+04 632 0.799E+02
DAV: 2 0.399022767307E+01 -0.36395E+03 -0.35077E+03 845 0.195E+02
DAV: 3 -0.953736861554E+02 -0.99364E+02 -0.99031E+02 672 0.116E+02
DAV: 4 -0.999295113004E+02 -0.45558E+01 -0.45439E+01 712 0.286E+01
DAV: 5 -0.100016784837E+03 -0.87274E-01 -0.87225E-01 736 0.358E+00 0.223E+01
DAV: 6 -0.913424774046E+02 0.86743E+01 -0.30723E+01 717 0.298E+01 0.116E+01
DAV: 7 -0.904859831861E+02 0.85649E+00 -0.18371E+00 712 0.637E+00 0.483E+00
DAV: 8 -0.900784281527E+02 0.40756E+00 -0.59009E-01 696 0.440E+00 0.166E+00
DAV: 9 -0.899836883846E+02 0.94740E-01 -0.14231E-01 712 0.173E+00 0.441E-01
DAV: 10 -0.899752629686E+02 0.84254E-02 -0.49278E-02 720 0.120E+00 0.334E-01
DAV: 11 -0.899796030354E+02 -0.43401E-02 -0.98855E-03 605 0.575E-01 0.122E-01
DAV: 12 -0.899823183523E+02 -0.27153E-02 -0.46256E-03 637 0.307E-01 0.131E-01
DAV: 13 -0.899854877397E+02 -0.31694E-02 -0.22373E-03 848 0.369E-01 0.730E-02
DAV: 14 -0.899889655408E+02 -0.34778E-02 -0.11999E-03 634 0.175E-01 0.619E-02
DAV: 15 -0.899912534858E+02 -0.22879E-02 -0.34284E-04 733 0.108E-01 0.381E-02
DAV: 16 -0.899927001465E+02 -0.14467E-02 -0.53534E-04 664 0.124E-01 0.313E-02
DAV: 17 -0.899934810168E+02 -0.78087E-03 -0.91259E-05 669 0.657E-02 0.212E-02
DAV: 18 -0.899938154572E+02 -0.33444E-03 -0.10341E-04 669 0.545E-02 0.893E-03
DAV: 19 -0.899939221291E+02 -0.10667E-03 -0.11587E-05 472 0.194E-02 0.554E-03
DAV: 20 -0.899940019151E+02 -0.79786E-04 -0.15142E-05 469 0.178E-02 0.553E-03
DAV: 21 -0.899940261154E+02 -0.24200E-04 -0.51256E-06 469 0.132E-02 0.374E-03
DAV: 22 -0.899940363109E+02 -0.10196E-04 -0.36396E-06 420 0.130E-02 0.167E-03
DAV: 23 -0.899940388045E+02 -0.24936E-05 -0.13540E-06 496 0.683E-03
1 F= -.89994039E+02 E0= -.90000053E+02 d E =0.180414E-01