iterations/neb0_image01_iter55_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 0.366713728784E+03 0.36671E+03 -0.14298E+04 624 0.799E+02
DAV: 2 0.345262706061E+01 -0.36326E+03 -0.34982E+03 839 0.195E+02
DAV: 3 -0.956279178089E+02 -0.99081E+02 -0.98738E+02 672 0.116E+02
DAV: 4 -0.100201651819E+03 -0.45737E+01 -0.45641E+01 685 0.287E+01
DAV: 5 -0.100293142225E+03 -0.91490E-01 -0.91437E-01 744 0.362E+00 0.222E+01
DAV: 6 -0.916756116728E+02 0.86175E+01 -0.31140E+01 696 0.299E+01 0.117E+01
DAV: 7 -0.908625596658E+02 0.81305E+00 -0.18283E+00 720 0.635E+00 0.484E+00
DAV: 8 -0.904811792222E+02 0.38138E+00 -0.55677E-01 704 0.427E+00 0.168E+00
DAV: 9 -0.903954140002E+02 0.85765E-01 -0.13762E-01 696 0.165E+00 0.430E-01
DAV: 10 -0.903897099273E+02 0.57041E-02 -0.45626E-02 744 0.126E+00 0.316E-01
DAV: 11 -0.903935067757E+02 -0.37968E-02 -0.68243E-03 608 0.477E-01 0.145E-01
DAV: 12 -0.903969442283E+02 -0.34375E-02 -0.66493E-03 632 0.472E-01 0.123E-01
DAV: 13 -0.903997883703E+02 -0.28441E-02 -0.11464E-03 784 0.290E-01 0.784E-02
DAV: 14 -0.904027459972E+02 -0.29576E-02 -0.17104E-03 631 0.201E-01 0.622E-02
DAV: 15 -0.904049445353E+02 -0.21985E-02 -0.48156E-04 752 0.151E-01 0.429E-02
DAV: 16 -0.904060154307E+02 -0.10709E-02 -0.56519E-04 669 0.132E-01 0.346E-02
DAV: 17 -0.904069675425E+02 -0.95211E-03 -0.17969E-04 726 0.874E-02 0.224E-02
DAV: 18 -0.904071506104E+02 -0.18307E-03 -0.50064E-05 704 0.359E-02 0.149E-02
DAV: 19 -0.904074062118E+02 -0.25560E-03 -0.51362E-05 633 0.374E-02 0.368E-03
DAV: 20 -0.904074688475E+02 -0.62636E-04 -0.49947E-06 480 0.120E-02 0.396E-03
DAV: 21 -0.904075124338E+02 -0.43586E-04 -0.45048E-06 425 0.928E-03 0.267E-03
DAV: 22 -0.904075322605E+02 -0.19827E-04 -0.39629E-06 477 0.838E-03 0.163E-03
DAV: 23 -0.904075343246E+02 -0.20641E-05 -0.71672E-07 520 0.485E-03
1 F= -.90407534E+02 E0= -.90412689E+02 d E =0.154629E-01