iterations/neb0_image05_iter28_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 0.367611269225E+03 0.36761E+03 -0.14289E+04 632 0.799E+02
DAV: 2 0.498571896526E+01 -0.36263E+03 -0.35067E+03 866 0.194E+02
DAV: 3 -0.930196977798E+02 -0.98005E+02 -0.97575E+02 640 0.115E+02
DAV: 4 -0.978570867180E+02 -0.48374E+01 -0.48218E+01 720 0.300E+01
DAV: 5 -0.979579144725E+02 -0.10083E+00 -0.10079E+00 720 0.388E+00 0.217E+01
DAV: 6 -0.895730448044E+02 0.83849E+01 -0.30476E+01 693 0.300E+01 0.112E+01
DAV: 7 -0.888026129998E+02 0.77043E+00 -0.16712E+00 720 0.661E+00 0.474E+00
DAV: 8 -0.884259891030E+02 0.37662E+00 -0.61271E-01 720 0.444E+00 0.165E+00
DAV: 9 -0.883387776838E+02 0.87211E-01 -0.12824E-01 720 0.166E+00 0.465E-01
DAV: 10 -0.883286155237E+02 0.10162E-01 -0.32791E-02 728 0.840E-01 0.318E-01
DAV: 11 -0.883306845077E+02 -0.20690E-02 -0.56659E-03 728 0.652E-01 0.178E-01
DAV: 12 -0.883332929263E+02 -0.26084E-02 -0.60441E-03 601 0.390E-01 0.151E-01
DAV: 13 -0.883350827168E+02 -0.17898E-02 -0.17437E-03 661 0.276E-01 0.879E-02
DAV: 14 -0.883395522824E+02 -0.44696E-02 -0.18173E-03 614 0.224E-01 0.666E-02
DAV: 15 -0.883414800798E+02 -0.19278E-02 -0.48263E-04 728 0.134E-01 0.369E-02
DAV: 16 -0.883441168002E+02 -0.26367E-02 -0.65477E-04 639 0.141E-01 0.332E-02
DAV: 17 -0.883450710068E+02 -0.95421E-03 -0.12240E-04 805 0.856E-02 0.169E-02
DAV: 18 -0.883455390790E+02 -0.46807E-03 -0.11091E-04 679 0.589E-02 0.141E-02
DAV: 19 -0.883459238596E+02 -0.38478E-03 -0.40516E-05 591 0.451E-02 0.594E-03
DAV: 20 -0.883461303660E+02 -0.20651E-03 -0.26747E-05 573 0.239E-02 0.485E-03
DAV: 21 -0.883461851257E+02 -0.54760E-04 -0.55776E-06 496 0.147E-02 0.195E-03
DAV: 22 -0.883462197354E+02 -0.34610E-04 -0.64675E-06 415 0.124E-02 0.311E-03
DAV: 23 -0.883462266209E+02 -0.68855E-05 -0.10465E-06 496 0.677E-03
1 F= -.88346227E+02 E0= -.88354615E+02 d E =0.251640E-01