iterations/neb0_image03_iter289_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 0.363343325054E+03 0.36334E+03 -0.14324E+04 632 0.799E+02
DAV: 2 0.123316341900E+01 -0.36211E+03 -0.34957E+03 853 0.195E+02
DAV: 3 -0.959006121625E+02 -0.97134E+02 -0.96821E+02 664 0.115E+02
DAV: 4 -0.100287917742E+03 -0.43873E+01 -0.43783E+01 704 0.282E+01
DAV: 5 -0.100373100071E+03 -0.85182E-01 -0.85161E-01 728 0.353E+00 0.223E+01
DAV: 6 -0.916849189697E+02 0.86882E+01 -0.31508E+01 672 0.301E+01 0.117E+01
DAV: 7 -0.908583232503E+02 0.82660E+00 -0.17901E+00 704 0.627E+00 0.483E+00
DAV: 8 -0.904730320052E+02 0.38529E+00 -0.54494E-01 696 0.422E+00 0.171E+00
DAV: 9 -0.903833530374E+02 0.89679E-01 -0.13597E-01 712 0.172E+00 0.437E-01
DAV: 10 -0.903773395920E+02 0.60134E-02 -0.45639E-02 720 0.119E+00 0.329E-01
DAV: 11 -0.903811159461E+02 -0.37764E-02 -0.67790E-03 632 0.626E-01 0.118E-01
DAV: 12 -0.903844532657E+02 -0.33373E-02 -0.55292E-03 616 0.356E-01 0.118E-01
DAV: 13 -0.903883597573E+02 -0.39065E-02 -0.14105E-03 831 0.268E-01 0.776E-02
DAV: 14 -0.903919273421E+02 -0.35676E-02 -0.12741E-03 648 0.159E-01 0.548E-02
DAV: 15 -0.903938142139E+02 -0.18869E-02 -0.24426E-04 744 0.944E-02 0.248E-02
DAV: 16 -0.903954318429E+02 -0.16176E-02 -0.41294E-04 644 0.112E-01 0.305E-02
DAV: 17 -0.903958270160E+02 -0.39517E-03 -0.10498E-04 813 0.750E-02 0.145E-02
DAV: 18 -0.903960467819E+02 -0.21977E-03 -0.47213E-05 648 0.364E-02 0.867E-03
DAV: 19 -0.903962832780E+02 -0.23650E-03 -0.25166E-05 532 0.247E-02 0.516E-03
DAV: 20 -0.903963634682E+02 -0.80190E-04 -0.11623E-05 480 0.183E-02 0.240E-03
DAV: 21 -0.903964092639E+02 -0.45796E-04 -0.55815E-06 428 0.110E-02 0.166E-03
DAV: 22 -0.903964207687E+02 -0.11505E-04 -0.27708E-06 488 0.870E-03 0.224E-03
DAV: 23 -0.903964234152E+02 -0.26465E-05 -0.70811E-07 496 0.762E-03
1 F= -.90396423E+02 E0= -.90404712E+02 d E =0.248668E-01