./iterations/neb0_image03_iter142_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 0.365463458944E+03 0.36546E+03 -0.14320E+04 632 0.799E+02
DAV: 2 0.214064551664E+01 -0.36332E+03 -0.35111E+03 853 0.195E+02
DAV: 3 -0.960752628890E+02 -0.98216E+02 -0.97894E+02 696 0.116E+02
DAV: 4 -0.100208146726E+03 -0.41329E+01 -0.41230E+01 712 0.270E+01
DAV: 5 -0.100286880278E+03 -0.78734E-01 -0.78707E-01 736 0.336E+00 0.222E+01
DAV: 6 -0.916981636068E+02 0.85887E+01 -0.30734E+01 680 0.297E+01 0.116E+01
DAV: 7 -0.908527861052E+02 0.84538E+00 -0.18224E+00 712 0.641E+00 0.483E+00
DAV: 8 -0.904500929767E+02 0.40269E+00 -0.57719E-01 704 0.440E+00 0.167E+00
DAV: 9 -0.903545422491E+02 0.95551E-01 -0.12554E-01 704 0.188E+00 0.459E-01
DAV: 10 -0.903460561758E+02 0.84861E-02 -0.39397E-02 728 0.993E-01 0.342E-01
DAV: 11 -0.903483259842E+02 -0.22698E-02 -0.77240E-03 784 0.641E-01 0.149E-01
DAV: 12 -0.903504742771E+02 -0.21483E-02 -0.39053E-03 634 0.355E-01 0.120E-01
DAV: 13 -0.903555205767E+02 -0.50463E-02 -0.34718E-03 685 0.340E-01 0.866E-02
DAV: 14 -0.903598757440E+02 -0.43552E-02 -0.95292E-04 663 0.181E-01 0.486E-02
DAV: 15 -0.903616378014E+02 -0.17621E-02 -0.44883E-04 744 0.117E-01 0.240E-02
DAV: 16 -0.903632395236E+02 -0.16017E-02 -0.14487E-04 666 0.660E-02 0.119E-02
DAV: 17 -0.903643126141E+02 -0.10731E-02 -0.12052E-04 657 0.415E-02 0.784E-03
DAV: 18 -0.903646446610E+02 -0.33205E-03 -0.38336E-05 586 0.225E-02 0.515E-03
DAV: 19 -0.903647420579E+02 -0.97397E-04 -0.74512E-06 482 0.124E-02 0.187E-03
DAV: 20 -0.903647849382E+02 -0.42880E-04 -0.60630E-06 426 0.766E-03 0.161E-03
DAV: 21 -0.903647959348E+02 -0.10997E-04 -0.16139E-06 474 0.596E-03 0.806E-04
DAV: 22 -0.903648006365E+02 -0.47017E-05 -0.13077E-06 426 0.537E-03
1 F= -.90364801E+02 E0= -.90373499E+02 d E =0.260950E-01