iterations/neb0_image03_iter292_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 0.363038775956E+03 0.36304E+03 -0.14322E+04 632 0.799E+02
DAV: 2 0.118159729480E+01 -0.36186E+03 -0.34933E+03 853 0.195E+02
DAV: 3 -0.958812971711E+02 -0.97063E+02 -0.96750E+02 664 0.115E+02
DAV: 4 -0.100272581530E+03 -0.43913E+01 -0.43822E+01 704 0.282E+01
DAV: 5 -0.100358433403E+03 -0.85852E-01 -0.85832E-01 736 0.354E+00 0.222E+01
DAV: 6 -0.916935372069E+02 0.86649E+01 -0.31439E+01 672 0.300E+01 0.117E+01
DAV: 7 -0.908641492115E+02 0.82939E+00 -0.17827E+00 704 0.631E+00 0.484E+00
DAV: 8 -0.904768204904E+02 0.38733E+00 -0.55218E-01 696 0.428E+00 0.170E+00
DAV: 9 -0.903882886152E+02 0.88532E-01 -0.13893E-01 712 0.173E+00 0.447E-01
DAV: 10 -0.903820159685E+02 0.62726E-02 -0.41096E-02 720 0.115E+00 0.323E-01
DAV: 11 -0.903852180178E+02 -0.32020E-02 -0.49387E-03 632 0.553E-01 0.132E-01
DAV: 12 -0.903886072240E+02 -0.33892E-02 -0.49165E-03 616 0.338E-01 0.106E-01
DAV: 13 -0.903930135481E+02 -0.44063E-02 -0.10940E-03 642 0.205E-01 0.735E-02
DAV: 14 -0.903966839855E+02 -0.36704E-02 -0.13629E-03 648 0.163E-01 0.469E-02
DAV: 15 -0.903986743256E+02 -0.19903E-02 -0.29001E-04 688 0.109E-01 0.186E-02
DAV: 16 -0.904001503686E+02 -0.14760E-02 -0.31463E-04 644 0.883E-02 0.291E-02
DAV: 17 -0.904003902383E+02 -0.23987E-03 -0.56681E-05 728 0.603E-02 0.136E-02
DAV: 18 -0.904009249483E+02 -0.53471E-03 -0.12765E-04 630 0.584E-02 0.133E-02
DAV: 19 -0.904010063244E+02 -0.81376E-04 -0.10444E-05 477 0.218E-02 0.963E-03
DAV: 20 -0.904010780927E+02 -0.71768E-04 -0.20997E-05 520 0.261E-02 0.266E-03
DAV: 21 -0.904011121680E+02 -0.34075E-04 -0.53897E-06 474 0.119E-02 0.255E-03
DAV: 22 -0.904011275780E+02 -0.15410E-04 -0.22447E-06 429 0.558E-03 0.250E-03
DAV: 23 -0.904011306758E+02 -0.30978E-05 -0.11209E-06 485 0.818E-03
1 F= -.90401131E+02 E0= -.90409638E+02 d E =0.255233E-01