iterations/neb0_image09_iter211_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 0.374049946564E+03 0.37405E+03 -0.14281E+04 624 0.799E+02
DAV: 2 0.327814566253E+01 -0.37077E+03 -0.35816E+03 869 0.196E+02
DAV: 3 -0.968181082886E+02 -0.10010E+03 -0.99770E+02 669 0.117E+02
DAV: 4 -0.101267352767E+03 -0.44492E+01 -0.44388E+01 720 0.283E+01
DAV: 5 -0.101353890346E+03 -0.86538E-01 -0.86497E-01 720 0.359E+00 0.227E+01
DAV: 6 -0.926728024653E+02 0.86811E+01 -0.31025E+01 728 0.301E+01 0.119E+01
DAV: 7 -0.918039208268E+02 0.86888E+00 -0.17276E+00 720 0.614E+00 0.479E+00
DAV: 8 -0.914280381099E+02 0.37588E+00 -0.54472E-01 712 0.395E+00 0.163E+00
DAV: 9 -0.913473876605E+02 0.80650E-01 -0.13188E-01 720 0.156E+00 0.423E-01
DAV: 10 -0.913392445007E+02 0.81432E-02 -0.43910E-02 760 0.111E+00 0.298E-01
DAV: 11 -0.913435285305E+02 -0.42840E-02 -0.11569E-02 608 0.558E-01 0.129E-01
DAV: 12 -0.913468697845E+02 -0.33413E-02 -0.29318E-03 623 0.247E-01 0.114E-01
DAV: 13 -0.913503038717E+02 -0.34341E-02 -0.13103E-03 690 0.204E-01 0.415E-02
DAV: 14 -0.913533140563E+02 -0.30102E-02 -0.63373E-04 664 0.134E-01 0.382E-02
DAV: 15 -0.913549613262E+02 -0.16473E-02 -0.13865E-04 712 0.721E-02 0.335E-02
DAV: 16 -0.913563222015E+02 -0.13609E-02 -0.33319E-04 656 0.883E-02 0.176E-02
DAV: 17 -0.913567401116E+02 -0.41791E-03 -0.48799E-05 672 0.436E-02 0.118E-02
DAV: 18 -0.913569956238E+02 -0.25551E-03 -0.43256E-05 576 0.279E-02 0.805E-03
DAV: 19 -0.913570349044E+02 -0.39281E-04 -0.59088E-06 512 0.173E-02 0.312E-03
DAV: 20 -0.913570661030E+02 -0.31199E-04 -0.79246E-06 415 0.164E-02 0.307E-03
DAV: 21 -0.913570771336E+02 -0.11031E-04 -0.16752E-06 480 0.757E-03 0.242E-03
DAV: 22 -0.913570823757E+02 -0.52421E-05 -0.14320E-06 429 0.750E-03
1 F= -.91357082E+02 E0= -.91361633E+02 d E =0.136526E-01