./iterations/neb0_image06_iter8_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 0.360515440009E+03 0.36052E+03 -0.14171E+04 624 0.799E+02
DAV: 2 0.561305840026E+01 -0.35490E+03 -0.34193E+03 866 0.192E+02
DAV: 3 -0.916376103084E+02 -0.97251E+02 -0.96670E+02 688 0.114E+02
DAV: 4 -0.964068033386E+02 -0.47692E+01 -0.47474E+01 696 0.281E+01
DAV: 5 -0.965131651908E+02 -0.10636E+00 -0.10629E+00 744 0.370E+00 0.215E+01
DAV: 6 -0.880704212890E+02 0.84427E+01 -0.32634E+01 701 0.316E+01 0.113E+01
DAV: 7 -0.873657404658E+02 0.70468E+00 -0.18835E+00 728 0.770E+00 0.496E+00
DAV: 8 -0.869787191456E+02 0.38702E+00 -0.63276E-01 712 0.449E+00 0.180E+00
DAV: 9 -0.869000984978E+02 0.78621E-01 -0.13186E-01 725 0.171E+00 0.591E-01
DAV: 10 -0.868834833885E+02 0.16615E-01 -0.36877E-02 717 0.938E-01 0.324E-01
DAV: 11 -0.868835006314E+02 -0.17243E-04 -0.61550E-03 736 0.533E-01 0.159E-01
DAV: 12 -0.868861786297E+02 -0.26780E-02 -0.46105E-03 590 0.344E-01 0.128E-01
DAV: 13 -0.868907032355E+02 -0.45246E-02 -0.23131E-03 756 0.322E-01 0.783E-02
DAV: 14 -0.868928944921E+02 -0.21913E-02 -0.90786E-04 661 0.158E-01 0.684E-02
DAV: 15 -0.868951901528E+02 -0.22957E-02 -0.93298E-04 738 0.230E-01 0.406E-02
DAV: 16 -0.868967235563E+02 -0.15334E-02 -0.38158E-04 728 0.119E-01 0.279E-02
DAV: 17 -0.868974361262E+02 -0.71257E-03 -0.86877E-05 698 0.516E-02 0.139E-02
DAV: 18 -0.868983776582E+02 -0.94153E-03 -0.10011E-04 666 0.465E-02 0.955E-03
DAV: 19 -0.868986549605E+02 -0.27730E-03 -0.18066E-05 512 0.241E-02 0.620E-03
DAV: 20 -0.868988254692E+02 -0.17051E-03 -0.29983E-05 565 0.241E-02 0.563E-03
DAV: 21 -0.868988757206E+02 -0.50251E-04 -0.59491E-06 488 0.192E-02 0.189E-03
DAV: 22 -0.868989038496E+02 -0.28129E-04 -0.80021E-06 412 0.121E-02 0.391E-03
DAV: 23 -0.868989075406E+02 -0.36909E-05 -0.10676E-06 520 0.793E-03
1 F= -.86898908E+02 E0= -.86906986E+02 d E =0.242360E-01