./iterations/neb0_image05_iter242_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 0.365839794580E+03 0.36584E+03 -0.14285E+04 624 0.799E+02
DAV: 2 0.390927165598E+01 -0.36193E+03 -0.34736E+03 842 0.195E+02
DAV: 3 -0.952770910155E+02 -0.99186E+02 -0.98835E+02 672 0.116E+02
DAV: 4 -0.999341116114E+02 -0.46570E+01 -0.46444E+01 696 0.287E+01
DAV: 5 -0.100025816891E+03 -0.91705E-01 -0.91657E-01 736 0.362E+00 0.220E+01
DAV: 6 -0.915342585492E+02 0.84916E+01 -0.30981E+01 712 0.299E+01 0.116E+01
DAV: 7 -0.907480493840E+02 0.78621E+00 -0.17549E+00 728 0.628E+00 0.481E+00
DAV: 8 -0.903767939832E+02 0.37126E+00 -0.53779E-01 728 0.426E+00 0.168E+00
DAV: 9 -0.902901401618E+02 0.86654E-01 -0.13041E-01 728 0.169E+00 0.429E-01
DAV: 10 -0.902831233255E+02 0.70168E-02 -0.42146E-02 728 0.114E+00 0.315E-01
DAV: 11 -0.902860604316E+02 -0.29371E-02 -0.80548E-03 608 0.686E-01 0.131E-01
DAV: 12 -0.902875979621E+02 -0.15375E-02 -0.65294E-03 658 0.484E-01 0.128E-01
DAV: 13 -0.902897277300E+02 -0.21298E-02 -0.15260E-03 850 0.276E-01 0.859E-02
DAV: 14 -0.902932667906E+02 -0.35391E-02 -0.11479E-03 628 0.181E-01 0.615E-02
DAV: 15 -0.902952383608E+02 -0.19716E-02 -0.27339E-04 714 0.131E-01 0.397E-02
DAV: 16 -0.902975606700E+02 -0.23223E-02 -0.11350E-03 661 0.197E-01 0.578E-02
DAV: 17 -0.902979513016E+02 -0.39063E-03 -0.21089E-04 968 0.116E-01 0.304E-02
DAV: 18 -0.902981921919E+02 -0.24089E-03 -0.10356E-04 656 0.563E-02 0.118E-02
DAV: 19 -0.902989119927E+02 -0.71980E-03 -0.99933E-05 710 0.565E-02 0.133E-02
DAV: 20 -0.902991080209E+02 -0.19603E-03 -0.18363E-05 552 0.382E-02 0.568E-03
DAV: 21 -0.902992097275E+02 -0.10171E-03 -0.30133E-05 570 0.246E-02 0.617E-03
DAV: 22 -0.902992431651E+02 -0.33438E-04 -0.53500E-06 480 0.173E-02 0.196E-03
DAV: 23 -0.902992533880E+02 -0.10223E-04 -0.48760E-06 434 0.112E-02 0.260E-03
DAV: 24 -0.902992561102E+02 -0.27221E-05 -0.91442E-07 464 0.446E-03
1 F= -.90299256E+02 E0= -.90307975E+02 d E =0.261582E-01