./iterations/neb0_image03_iter230_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 0.362837072723E+03 0.36284E+03 -0.14321E+04 632 0.799E+02
DAV: 2 0.387485961769E+00 -0.36245E+03 -0.35171E+03 850 0.195E+02
DAV: 3 -0.960260199026E+02 -0.96414E+02 -0.96095E+02 680 0.115E+02
DAV: 4 -0.100247885963E+03 -0.42219E+01 -0.42111E+01 712 0.271E+01
DAV: 5 -0.100331839801E+03 -0.83954E-01 -0.83922E-01 736 0.341E+00 0.222E+01
DAV: 6 -0.917203427358E+02 0.86115E+01 -0.30996E+01 693 0.298E+01 0.117E+01
DAV: 7 -0.908750224632E+02 0.84532E+00 -0.17944E+00 712 0.638E+00 0.485E+00
DAV: 8 -0.904784370306E+02 0.39659E+00 -0.57572E-01 688 0.438E+00 0.168E+00
DAV: 9 -0.903864075948E+02 0.92029E-01 -0.13414E-01 728 0.168E+00 0.440E-01
DAV: 10 -0.903792051609E+02 0.72024E-02 -0.52258E-02 712 0.130E+00 0.345E-01
DAV: 11 -0.903831830388E+02 -0.39779E-02 -0.81085E-03 624 0.591E-01 0.131E-01
DAV: 12 -0.903870695495E+02 -0.38865E-02 -0.76546E-03 618 0.421E-01 0.143E-01
DAV: 13 -0.903902451837E+02 -0.31756E-02 -0.21125E-03 880 0.377E-01 0.883E-02
DAV: 14 -0.903935333836E+02 -0.32882E-02 -0.14906E-03 637 0.192E-01 0.696E-02
DAV: 15 -0.903957223560E+02 -0.21890E-02 -0.35238E-04 680 0.951E-02 0.497E-02
DAV: 16 -0.903972115552E+02 -0.14892E-02 -0.70209E-04 656 0.155E-01 0.278E-02
DAV: 17 -0.903980108755E+02 -0.79932E-03 -0.90298E-05 672 0.576E-02 0.250E-02
DAV: 18 -0.903985464205E+02 -0.53555E-03 -0.15803E-04 653 0.686E-02 0.768E-03
DAV: 19 -0.903986510175E+02 -0.10460E-03 -0.14198E-05 504 0.225E-02 0.661E-03
DAV: 20 -0.903987250292E+02 -0.74012E-04 -0.12216E-05 426 0.178E-02 0.508E-03
DAV: 21 -0.903987671495E+02 -0.42120E-04 -0.69614E-06 469 0.136E-02 0.244E-03
DAV: 22 -0.903987784756E+02 -0.11326E-04 -0.49482E-06 480 0.119E-02 0.295E-03
DAV: 23 -0.903987797695E+02 -0.12939E-05 -0.93857E-07 520 0.636E-03
1 F= -.90398780E+02 E0= -.90405507E+02 d E =0.201811E-01