./iterations/neb0_image01_iter62_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 0.366403111472E+03 0.36640E+03 -0.14295E+04 624 0.799E+02
DAV: 2 0.341979912877E+01 -0.36298E+03 -0.34954E+03 839 0.195E+02
DAV: 3 -0.957515780505E+02 -0.99171E+02 -0.98831E+02 688 0.116E+02
DAV: 4 -0.100171089356E+03 -0.44195E+01 -0.44103E+01 685 0.278E+01
DAV: 5 -0.100258945565E+03 -0.87856E-01 -0.87804E-01 744 0.350E+00 0.222E+01
DAV: 6 -0.916709356195E+02 0.85880E+01 -0.31120E+01 693 0.298E+01 0.117E+01
DAV: 7 -0.908587814495E+02 0.81215E+00 -0.18125E+00 720 0.636E+00 0.484E+00
DAV: 8 -0.904774499616E+02 0.38133E+00 -0.56092E-01 712 0.427E+00 0.167E+00
DAV: 9 -0.903928850877E+02 0.84565E-01 -0.13684E-01 712 0.164E+00 0.430E-01
DAV: 10 -0.903872192088E+02 0.56659E-02 -0.44873E-02 720 0.126E+00 0.315E-01
DAV: 11 -0.903909279447E+02 -0.37087E-02 -0.65977E-03 616 0.464E-01 0.153E-01
DAV: 12 -0.903943660076E+02 -0.34381E-02 -0.68892E-03 616 0.490E-01 0.123E-01
DAV: 13 -0.903972842442E+02 -0.29182E-02 -0.11520E-03 776 0.287E-01 0.792E-02
DAV: 14 -0.904001654255E+02 -0.28812E-02 -0.16770E-03 631 0.199E-01 0.600E-02
DAV: 15 -0.904024362630E+02 -0.22708E-02 -0.48650E-04 760 0.151E-01 0.408E-02
DAV: 16 -0.904035048511E+02 -0.10686E-02 -0.49552E-04 661 0.123E-01 0.338E-02
DAV: 17 -0.904044356864E+02 -0.93084E-03 -0.17138E-04 729 0.852E-02 0.204E-02
DAV: 18 -0.904046455928E+02 -0.20991E-03 -0.55433E-05 696 0.378E-02 0.134E-02
DAV: 19 -0.904048871371E+02 -0.24154E-03 -0.44329E-05 569 0.337E-02 0.455E-03
DAV: 20 -0.904049480814E+02 -0.60944E-04 -0.49318E-06 480 0.127E-02 0.388E-03
DAV: 21 -0.904049907184E+02 -0.42637E-04 -0.66582E-06 411 0.125E-02 0.156E-03
DAV: 22 -0.904050042842E+02 -0.13566E-04 -0.27147E-06 469 0.720E-03 0.141E-03
DAV: 23 -0.904050058044E+02 -0.15202E-05 -0.45230E-07 528 0.338E-03
1 F= -.90405006E+02 E0= -.90410331E+02 d E =0.159747E-01