iterations/neb0_image07_iter117_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 0.377110795672E+03 0.37711E+03 -0.14282E+04 624 0.799E+02
DAV: 2 0.412417356311E+01 -0.37299E+03 -0.35945E+03 869 0.196E+02
DAV: 3 -0.963274510126E+02 -0.10045E+03 -0.10012E+03 656 0.117E+02
DAV: 4 -0.101027844013E+03 -0.47004E+01 -0.46882E+01 704 0.292E+01
DAV: 5 -0.101121789502E+03 -0.93945E-01 -0.93906E-01 728 0.372E+00 0.228E+01
DAV: 6 -0.924821609454E+02 0.86396E+01 -0.30694E+01 701 0.303E+01 0.119E+01
DAV: 7 -0.916157741336E+02 0.86639E+00 -0.16793E+00 728 0.613E+00 0.481E+00
DAV: 8 -0.912365282536E+02 0.37925E+00 -0.54798E-01 712 0.400E+00 0.163E+00
DAV: 9 -0.911530528378E+02 0.83475E-01 -0.13263E-01 720 0.156E+00 0.423E-01
DAV: 10 -0.911438122285E+02 0.92406E-02 -0.48543E-02 733 0.114E+00 0.313E-01
DAV: 11 -0.911487484769E+02 -0.49362E-02 -0.14921E-02 616 0.641E-01 0.157E-01
DAV: 12 -0.911515147537E+02 -0.27663E-02 -0.32096E-03 631 0.250E-01 0.145E-01
DAV: 13 -0.911555523809E+02 -0.40376E-02 -0.35016E-03 714 0.345E-01 0.639E-02
DAV: 14 -0.911579404094E+02 -0.23880E-02 -0.47899E-04 672 0.112E-01 0.558E-02
DAV: 15 -0.911605294414E+02 -0.25890E-02 -0.38863E-04 629 0.928E-02 0.271E-02
DAV: 16 -0.911613715108E+02 -0.84207E-03 -0.26096E-04 688 0.786E-02 0.274E-02
DAV: 17 -0.911618825292E+02 -0.51102E-03 -0.10345E-04 634 0.607E-02 0.939E-03
DAV: 18 -0.911620379865E+02 -0.15546E-03 -0.17611E-05 480 0.245E-02 0.634E-03
DAV: 19 -0.911620873228E+02 -0.49336E-04 -0.11846E-05 488 0.198E-02 0.284E-03
DAV: 20 -0.911621288857E+02 -0.41563E-04 -0.37195E-06 404 0.101E-02 0.161E-03
DAV: 21 -0.911621445578E+02 -0.15672E-04 -0.26347E-06 453 0.712E-03 0.141E-03
DAV: 22 -0.911621482625E+02 -0.37047E-05 -0.57013E-07 504 0.400E-03
1 F= -.91162148E+02 E0= -.91167227E+02 d E =0.152374E-01