iterations/neb0_image03_iter5_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 0.365643095768E+03 0.36564E+03 -0.14271E+04 624 0.799E+02
DAV: 2 0.495962216731E+01 -0.36068E+03 -0.34819E+03 847 0.194E+02
DAV: 3 -0.936507684458E+02 -0.98610E+02 -0.98197E+02 672 0.116E+02
DAV: 4 -0.981977999072E+02 -0.45470E+01 -0.45324E+01 720 0.280E+01
DAV: 5 -0.982925012105E+02 -0.94701E-01 -0.94659E-01 720 0.357E+00 0.220E+01
DAV: 6 -0.893163385544E+02 0.89762E+01 -0.32470E+01 696 0.308E+01 0.114E+01
DAV: 7 -0.885429926266E+02 0.77335E+00 -0.18315E+00 712 0.669E+00 0.485E+00
DAV: 8 -0.881633698052E+02 0.37962E+00 -0.61271E-01 680 0.441E+00 0.176E+00
DAV: 9 -0.880718721784E+02 0.91498E-01 -0.14225E-01 712 0.175E+00 0.457E-01
DAV: 10 -0.880642784266E+02 0.75938E-02 -0.32215E-02 752 0.887E-01 0.302E-01
DAV: 11 -0.880678037122E+02 -0.35253E-02 -0.11638E-02 605 0.690E-01 0.144E-01
DAV: 12 -0.880693818932E+02 -0.15782E-02 -0.27965E-03 656 0.323E-01 0.124E-01
DAV: 13 -0.880738840959E+02 -0.45022E-02 -0.55255E-03 716 0.510E-01 0.102E-01
DAV: 14 -0.880761787312E+02 -0.22946E-02 -0.11390E-03 784 0.233E-01 0.560E-02
DAV: 15 -0.880781794000E+02 -0.20007E-02 -0.10321E-03 660 0.185E-01 0.405E-02
DAV: 16 -0.880799001570E+02 -0.17208E-02 -0.29938E-04 818 0.120E-01 0.216E-02
DAV: 17 -0.880806967813E+02 -0.79662E-03 -0.13894E-04 688 0.693E-02 0.145E-02
DAV: 18 -0.880813482432E+02 -0.65146E-03 -0.88302E-05 658 0.411E-02 0.138E-02
DAV: 19 -0.880814683599E+02 -0.12012E-03 -0.21012E-05 584 0.375E-02 0.427E-03
DAV: 20 -0.880816102884E+02 -0.14193E-03 -0.32659E-05 523 0.286E-02 0.758E-03
DAV: 21 -0.880816352729E+02 -0.24984E-04 -0.28033E-06 493 0.139E-02 0.488E-03
DAV: 22 -0.880816587454E+02 -0.23473E-04 -0.96078E-06 394 0.183E-02 0.286E-03
DAV: 23 -0.880816620757E+02 -0.33303E-05 -0.18603E-06 504 0.934E-03
1 F= -.88081662E+02 E0= -.88085528E+02 d E =0.115975E-01