./iterations/neb0_image09_iter158_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 0.374134154905E+03 0.37413E+03 -0.14281E+04 624 0.799E+02
DAV: 2 0.329295241014E+01 -0.37084E+03 -0.35804E+03 869 0.196E+02
DAV: 3 -0.967976419778E+02 -0.10009E+03 -0.99761E+02 669 0.117E+02
DAV: 4 -0.101257207222E+03 -0.44596E+01 -0.44492E+01 720 0.284E+01
DAV: 5 -0.101344027146E+03 -0.86820E-01 -0.86780E-01 720 0.359E+00 0.227E+01
DAV: 6 -0.926738858870E+02 0.86701E+01 -0.30996E+01 717 0.301E+01 0.119E+01
DAV: 7 -0.918072007355E+02 0.86669E+00 -0.17274E+00 728 0.615E+00 0.480E+00
DAV: 8 -0.914310185722E+02 0.37618E+00 -0.54278E-01 712 0.395E+00 0.163E+00
DAV: 9 -0.913492138916E+02 0.81805E-01 -0.13117E-01 712 0.155E+00 0.424E-01
DAV: 10 -0.913408250371E+02 0.83889E-02 -0.44037E-02 768 0.110E+00 0.298E-01
DAV: 11 -0.913451731467E+02 -0.43481E-02 -0.11749E-02 616 0.567E-01 0.133E-01
DAV: 12 -0.913483048355E+02 -0.31317E-02 -0.27975E-03 634 0.244E-01 0.109E-01
DAV: 13 -0.913519044692E+02 -0.35996E-02 -0.13405E-03 672 0.199E-01 0.441E-02
DAV: 14 -0.913552557006E+02 -0.33512E-02 -0.70010E-04 664 0.151E-01 0.349E-02
DAV: 15 -0.913565802449E+02 -0.13245E-02 -0.13672E-04 696 0.793E-02 0.346E-02
DAV: 16 -0.913580112151E+02 -0.14310E-02 -0.36052E-04 642 0.979E-02 0.197E-02
DAV: 17 -0.913583603209E+02 -0.34911E-03 -0.60534E-05 688 0.584E-02 0.129E-02
DAV: 18 -0.913586113023E+02 -0.25098E-03 -0.44743E-05 568 0.320E-02 0.105E-02
DAV: 19 -0.913587086929E+02 -0.97391E-04 -0.12076E-05 496 0.184E-02 0.507E-03
DAV: 20 -0.913587430101E+02 -0.34317E-04 -0.74764E-06 440 0.176E-02 0.186E-03
DAV: 21 -0.913587670731E+02 -0.24063E-04 -0.55174E-06 434 0.116E-02 0.290E-03
DAV: 22 -0.913587710094E+02 -0.39363E-05 -0.92445E-07 504 0.461E-03
1 F= -.91358771E+02 E0= -.91363724E+02 d E =0.148587E-01