iterations/neb0_image01_iter141_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 0.365718484266E+03 0.36572E+03 -0.14297E+04 624 0.799E+02
DAV: 2 0.325744942612E+01 -0.36246E+03 -0.34946E+03 836 0.195E+02
DAV: 3 -0.956334478805E+02 -0.98891E+02 -0.98544E+02 666 0.116E+02
DAV: 4 -0.100200801477E+03 -0.45674E+01 -0.45566E+01 704 0.287E+01
DAV: 5 -0.100291471268E+03 -0.90670E-01 -0.90623E-01 736 0.361E+00 0.222E+01
DAV: 6 -0.916724912948E+02 0.86190E+01 -0.31178E+01 685 0.299E+01 0.116E+01
DAV: 7 -0.908766983201E+02 0.79579E+00 -0.18234E+00 712 0.638E+00 0.484E+00
DAV: 8 -0.905008810102E+02 0.37582E+00 -0.55058E-01 704 0.426E+00 0.167E+00
DAV: 9 -0.904178052270E+02 0.83076E-01 -0.13493E-01 712 0.165E+00 0.423E-01
DAV: 10 -0.904130138544E+02 0.47914E-02 -0.46744E-02 720 0.124E+00 0.319E-01
DAV: 11 -0.904169302460E+02 -0.39164E-02 -0.70462E-03 608 0.522E-01 0.129E-01
DAV: 12 -0.904205385263E+02 -0.36083E-02 -0.70863E-03 624 0.479E-01 0.134E-01
DAV: 13 -0.904230082118E+02 -0.24697E-02 -0.16780E-03 856 0.321E-01 0.747E-02
DAV: 14 -0.904260249816E+02 -0.30168E-02 -0.14293E-03 623 0.186E-01 0.655E-02
DAV: 15 -0.904278349920E+02 -0.18100E-02 -0.35108E-04 688 0.114E-01 0.526E-02
DAV: 16 -0.904291956256E+02 -0.13606E-02 -0.10100E-03 653 0.192E-01 0.379E-02
DAV: 17 -0.904299949292E+02 -0.79930E-03 -0.14075E-04 669 0.814E-02 0.310E-02
DAV: 18 -0.904302665361E+02 -0.27161E-03 -0.95419E-05 664 0.505E-02 0.134E-02
DAV: 19 -0.904304437010E+02 -0.17716E-03 -0.53533E-05 647 0.377E-02 0.712E-03
DAV: 20 -0.904304737217E+02 -0.30021E-04 -0.51021E-06 504 0.171E-02 0.852E-03
DAV: 21 -0.904305124654E+02 -0.38744E-04 -0.68532E-06 401 0.151E-02 0.634E-03
DAV: 22 -0.904305263083E+02 -0.13843E-04 -0.51522E-06 477 0.161E-02 0.291E-03
DAV: 23 -0.904305284414E+02 -0.21330E-05 -0.39838E-06 528 0.117E-02
1 F= -.90430528E+02 E0= -.90436091E+02 d E =0.166885E-01