./iterations/neb0_image05_iter288_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 0.368579780294E+03 0.36858E+03 -0.14317E+04 624 0.799E+02
DAV: 2 0.474356564543E+01 -0.36384E+03 -0.35015E+03 840 0.196E+02
DAV: 3 -0.952437382015E+02 -0.99987E+02 -0.99639E+02 640 0.117E+02
DAV: 4 -0.100194532541E+03 -0.49508E+01 -0.49380E+01 704 0.304E+01
DAV: 5 -0.100294644836E+03 -0.10011E+00 -0.10007E+00 736 0.386E+00 0.223E+01
DAV: 6 -0.915882187196E+02 0.87064E+01 -0.31070E+01 688 0.301E+01 0.118E+01
DAV: 7 -0.907503041510E+02 0.83791E+00 -0.17905E+00 712 0.652E+00 0.486E+00
DAV: 8 -0.903627466879E+02 0.38756E+00 -0.52695E-01 720 0.442E+00 0.179E+00
DAV: 9 -0.902743208132E+02 0.88426E-01 -0.14261E-01 720 0.200E+00 0.544E-01
DAV: 10 -0.902624477475E+02 0.11873E-01 -0.29124E-02 728 0.921E-01 0.329E-01
DAV: 11 -0.902634314727E+02 -0.98373E-03 -0.12993E-02 672 0.590E-01 0.201E-01
DAV: 12 -0.902662825256E+02 -0.28511E-02 -0.38571E-03 744 0.379E-01 0.105E-01
DAV: 13 -0.902691750571E+02 -0.28925E-02 -0.12134E-03 634 0.190E-01 0.956E-02
DAV: 14 -0.902734272219E+02 -0.42522E-02 -0.16464E-03 657 0.235E-01 0.437E-02
DAV: 15 -0.902761009164E+02 -0.26737E-02 -0.42904E-04 672 0.102E-01 0.359E-02
DAV: 16 -0.902789076384E+02 -0.28067E-02 -0.65794E-04 727 0.152E-01 0.286E-02
DAV: 17 -0.902795346287E+02 -0.62699E-03 -0.88346E-05 720 0.649E-02 0.206E-02
DAV: 18 -0.902801881505E+02 -0.65352E-03 -0.23657E-04 646 0.906E-02 0.150E-02
DAV: 19 -0.902803168333E+02 -0.12868E-03 -0.27276E-05 592 0.407E-02 0.835E-03
DAV: 20 -0.902804088383E+02 -0.92005E-04 -0.24998E-05 537 0.237E-02 0.261E-03
DAV: 21 -0.902804474050E+02 -0.38567E-04 -0.41681E-06 485 0.141E-02 0.225E-03
DAV: 22 -0.902804627413E+02 -0.15336E-04 -0.25618E-06 428 0.793E-03 0.155E-03
DAV: 23 -0.902804651466E+02 -0.24053E-05 -0.29661E-06 512 0.112E-02
1 F= -.90280465E+02 E0= -.90288813E+02 d E =0.250446E-01