iterations/neb0_image06_iter275_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 0.372895324286E+03 0.37290E+03 -0.14310E+04 632 0.799E+02
DAV: 2 0.591057916054E+01 -0.36698E+03 -0.35479E+03 850 0.194E+02
DAV: 3 -0.944573541315E+02 -0.10037E+03 -0.99942E+02 680 0.116E+02
DAV: 4 -0.991169526240E+02 -0.46596E+01 -0.46411E+01 720 0.287E+01
DAV: 5 -0.992120299655E+02 -0.95077E-01 -0.95028E-01 728 0.366E+00 0.221E+01
DAV: 6 -0.908525499385E+02 0.83595E+01 -0.29737E+01 693 0.303E+01 0.115E+01
DAV: 7 -0.900478887682E+02 0.80466E+00 -0.16479E+00 720 0.631E+00 0.480E+00
DAV: 8 -0.896680266203E+02 0.37986E+00 -0.58157E-01 704 0.422E+00 0.161E+00
DAV: 9 -0.895810882358E+02 0.86938E-01 -0.12296E-01 704 0.163E+00 0.438E-01
DAV: 10 -0.895712493263E+02 0.98389E-02 -0.36955E-02 736 0.935E-01 0.301E-01
DAV: 11 -0.895752690943E+02 -0.40198E-02 -0.13675E-02 608 0.669E-01 0.192E-01
DAV: 12 -0.895759528283E+02 -0.68373E-03 -0.38763E-03 680 0.393E-01 0.103E-01
DAV: 13 -0.895808348300E+02 -0.48820E-02 -0.39990E-03 623 0.359E-01 0.101E-01
DAV: 14 -0.895824285600E+02 -0.15937E-02 -0.62242E-04 832 0.194E-01 0.488E-02
DAV: 15 -0.895857661782E+02 -0.33376E-02 -0.10719E-03 643 0.187E-01 0.404E-02
DAV: 16 -0.895876028779E+02 -0.18367E-02 -0.20614E-04 741 0.979E-02 0.204E-02
DAV: 17 -0.895885797895E+02 -0.97691E-03 -0.23229E-04 690 0.808E-02 0.180E-02
DAV: 18 -0.895890701772E+02 -0.49039E-03 -0.60869E-05 594 0.516E-02 0.922E-03
DAV: 19 -0.895891419121E+02 -0.71735E-04 -0.17567E-05 512 0.238E-02 0.499E-03
DAV: 20 -0.895892199092E+02 -0.77997E-04 -0.10668E-05 400 0.192E-02 0.204E-03
DAV: 21 -0.895892581934E+02 -0.38284E-04 -0.48840E-06 472 0.931E-03 0.266E-03
DAV: 22 -0.895892699851E+02 -0.11792E-04 -0.15080E-06 437 0.699E-03 0.152E-03
DAV: 23 -0.895892754579E+02 -0.54729E-05 -0.22869E-06 438 0.817E-03
1 F= -.89589275E+02 E0= -.89594006E+02 d E =0.141907E-01