./iterations/neb0_image08_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 0.376883877864E+03 0.37688E+03 -0.14288E+04 624 0.799E+02
DAV: 2 0.376184595390E+01 -0.37312E+03 -0.35935E+03 869 0.196E+02
DAV: 3 -0.965987035370E+02 -0.10036E+03 -0.10003E+03 672 0.117E+02
DAV: 4 -0.101083094768E+03 -0.44844E+01 -0.44735E+01 712 0.283E+01
DAV: 5 -0.101169789662E+03 -0.86695E-01 -0.86661E-01 728 0.357E+00 0.229E+01
DAV: 6 -0.924702786351E+02 0.86995E+01 -0.30706E+01 685 0.303E+01 0.120E+01
DAV: 7 -0.915895769243E+02 0.88070E+00 -0.17165E+00 728 0.620E+00 0.480E+00
DAV: 8 -0.912140894594E+02 0.37549E+00 -0.54472E-01 704 0.399E+00 0.166E+00
DAV: 9 -0.911294977771E+02 0.84592E-01 -0.13104E-01 712 0.155E+00 0.428E-01
DAV: 10 -0.911200215764E+02 0.94762E-02 -0.44281E-02 752 0.110E+00 0.301E-01
DAV: 11 -0.911247425405E+02 -0.47210E-02 -0.12895E-02 608 0.596E-01 0.153E-01
DAV: 12 -0.911274848797E+02 -0.27423E-02 -0.24214E-03 644 0.217E-01 0.119E-01
DAV: 13 -0.911317871954E+02 -0.43023E-02 -0.26457E-03 642 0.272E-01 0.544E-02
DAV: 14 -0.911344528765E+02 -0.26657E-02 -0.50894E-04 685 0.136E-01 0.252E-02
DAV: 15 -0.911366493938E+02 -0.21965E-02 -0.22850E-04 634 0.634E-02 0.218E-02
DAV: 16 -0.911375911555E+02 -0.94176E-03 -0.99719E-05 674 0.510E-02 0.833E-03
DAV: 17 -0.911381708156E+02 -0.57966E-03 -0.52711E-05 567 0.286E-02 0.105E-02
DAV: 18 -0.911383466304E+02 -0.17581E-03 -0.17417E-05 544 0.223E-02 0.549E-03
DAV: 19 -0.911384163384E+02 -0.69708E-04 -0.11684E-05 434 0.167E-02 0.311E-03
DAV: 20 -0.911384261606E+02 -0.98222E-05 -0.23777E-06 536 0.976E-03
1 F= -.91138426E+02 E0= -.91143988E+02 d E =0.166862E-01