iterations/neb0_image02_iter264_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 0.366158824369E+03 0.36616E+03 -0.14299E+04 624 0.799E+02
DAV: 2 0.726500615062E+00 -0.36543E+03 -0.35473E+03 869 0.196E+02
DAV: 3 -0.956092110283E+02 -0.96336E+02 -0.96004E+02 624 0.116E+02
DAV: 4 -0.100263905848E+03 -0.46547E+01 -0.46448E+01 720 0.299E+01
DAV: 5 -0.100356716539E+03 -0.92811E-01 -0.92781E-01 736 0.378E+00 0.222E+01
DAV: 6 -0.916786004761E+02 0.86781E+01 -0.30960E+01 677 0.300E+01 0.117E+01
DAV: 7 -0.908545592872E+02 0.82404E+00 -0.18128E+00 720 0.635E+00 0.485E+00
DAV: 8 -0.904739938392E+02 0.38057E+00 -0.55465E-01 704 0.431E+00 0.169E+00
DAV: 9 -0.903897356797E+02 0.84258E-01 -0.13449E-01 720 0.166E+00 0.427E-01
DAV: 10 -0.903854380523E+02 0.42976E-02 -0.48936E-02 712 0.125E+00 0.329E-01
DAV: 11 -0.903892378432E+02 -0.37998E-02 -0.78457E-03 624 0.594E-01 0.118E-01
DAV: 12 -0.903924307268E+02 -0.31929E-02 -0.69181E-03 632 0.431E-01 0.140E-01
DAV: 13 -0.903948223572E+02 -0.23916E-02 -0.20686E-03 877 0.344E-01 0.797E-02
DAV: 14 -0.903979535088E+02 -0.31312E-02 -0.13838E-03 615 0.180E-01 0.727E-02
DAV: 15 -0.903996538839E+02 -0.17004E-02 -0.28227E-04 688 0.974E-02 0.583E-02
DAV: 16 -0.904010593846E+02 -0.14055E-02 -0.10596E-03 672 0.197E-01 0.357E-02
DAV: 17 -0.904016945741E+02 -0.63519E-03 -0.11904E-04 672 0.727E-02 0.316E-02
DAV: 18 -0.904020375921E+02 -0.34302E-03 -0.10175E-04 661 0.512E-02 0.126E-02
DAV: 19 -0.904022045758E+02 -0.16698E-03 -0.56276E-05 647 0.388E-02 0.876E-03
DAV: 20 -0.904022331567E+02 -0.28581E-04 -0.38094E-06 504 0.133E-02 0.699E-03
DAV: 21 -0.904022761487E+02 -0.42992E-04 -0.11599E-05 420 0.195E-02 0.304E-03
DAV: 22 -0.904022810448E+02 -0.48960E-05 -0.42225E-06 504 0.119E-02
1 F= -.90402281E+02 E0= -.90408438E+02 d E =0.184718E-01