./iterations/neb0_image09_iter284_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 0.374220828403E+03 0.37422E+03 -0.14283E+04 624 0.799E+02
DAV: 2 0.334177751137E+01 -0.37088E+03 -0.35824E+03 866 0.196E+02
DAV: 3 -0.967593260210E+02 -0.10010E+03 -0.99777E+02 664 0.117E+02
DAV: 4 -0.101293298421E+03 -0.45340E+01 -0.45232E+01 712 0.287E+01
DAV: 5 -0.101382554942E+03 -0.89257E-01 -0.89217E-01 728 0.365E+00 0.227E+01
DAV: 6 -0.926862599801E+02 0.86963E+01 -0.30998E+01 725 0.301E+01 0.119E+01
DAV: 7 -0.918118841093E+02 0.87438E+00 -0.17152E+00 720 0.613E+00 0.480E+00
DAV: 8 -0.914354801301E+02 0.37640E+00 -0.54547E-01 704 0.397E+00 0.162E+00
DAV: 9 -0.913549309019E+02 0.80549E-01 -0.13092E-01 720 0.154E+00 0.421E-01
DAV: 10 -0.913467421277E+02 0.81888E-02 -0.45242E-02 744 0.109E+00 0.304E-01
DAV: 11 -0.913514538577E+02 -0.47117E-02 -0.13552E-02 608 0.604E-01 0.145E-01
DAV: 12 -0.913544475235E+02 -0.29937E-02 -0.28440E-03 620 0.225E-01 0.114E-01
DAV: 13 -0.913582039703E+02 -0.37564E-02 -0.23762E-03 685 0.257E-01 0.497E-02
DAV: 14 -0.913615821873E+02 -0.33782E-02 -0.64111E-04 664 0.134E-01 0.243E-02
DAV: 15 -0.913629057052E+02 -0.13235E-02 -0.11533E-04 704 0.579E-02 0.207E-02
DAV: 16 -0.913641282718E+02 -0.12226E-02 -0.21711E-04 637 0.714E-02 0.155E-02
DAV: 17 -0.913642748481E+02 -0.14658E-03 -0.15776E-05 496 0.346E-02 0.114E-02
DAV: 18 -0.913645191712E+02 -0.24432E-03 -0.89119E-05 612 0.524E-02 0.135E-02
DAV: 19 -0.913645607803E+02 -0.41609E-04 -0.18493E-05 640 0.342E-02 0.425E-03
DAV: 20 -0.913645885443E+02 -0.27764E-04 -0.76658E-06 421 0.142E-02 0.146E-03
DAV: 21 -0.913646123771E+02 -0.23833E-04 -0.39987E-06 445 0.936E-03 0.250E-03
DAV: 22 -0.913646164055E+02 -0.40284E-05 -0.77221E-07 490 0.513E-03
1 F= -.91364616E+02 E0= -.91369383E+02 d E =0.142994E-01