./iterations/neb0_image04_iter287_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 0.365189535478E+03 0.36519E+03 -0.14303E+04 624 0.799E+02
DAV: 2 0.129919760887E+00 -0.36506E+03 -0.35428E+03 869 0.195E+02
DAV: 3 -0.960299417155E+02 -0.96160E+02 -0.95864E+02 656 0.115E+02
DAV: 4 -0.100334631851E+03 -0.43047E+01 -0.42969E+01 720 0.279E+01
DAV: 5 -0.100419365256E+03 -0.84733E-01 -0.84709E-01 728 0.349E+00 0.223E+01
DAV: 6 -0.916654759123E+02 0.87539E+01 -0.31677E+01 677 0.301E+01 0.117E+01
DAV: 7 -0.908324765417E+02 0.83300E+00 -0.18315E+00 720 0.642E+00 0.484E+00
DAV: 8 -0.904294960242E+02 0.40298E+00 -0.54238E-01 696 0.442E+00 0.179E+00
DAV: 9 -0.903382813979E+02 0.91215E-01 -0.13807E-01 712 0.231E+00 0.565E-01
DAV: 10 -0.903234712556E+02 0.14810E-01 -0.42392E-02 720 0.105E+00 0.406E-01
DAV: 11 -0.903266485093E+02 -0.31773E-02 -0.18546E-02 760 0.109E+00 0.446E-01
DAV: 12 -0.903251432791E+02 0.15052E-02 -0.71251E-03 720 0.782E-01 0.142E-01
DAV: 13 -0.903293932477E+02 -0.42500E-02 -0.47222E-03 626 0.380E-01 0.124E-01
DAV: 14 -0.903322751691E+02 -0.28819E-02 -0.10480E-03 727 0.251E-01 0.899E-02
DAV: 15 -0.903363589886E+02 -0.40838E-02 -0.13774E-03 698 0.303E-01 0.563E-02
DAV: 16 -0.903373008171E+02 -0.94183E-03 -0.30042E-04 704 0.124E-01 0.350E-02
DAV: 17 -0.903388016801E+02 -0.15009E-02 -0.67805E-04 708 0.170E-01 0.373E-02
DAV: 18 -0.903395977715E+02 -0.79609E-03 -0.12659E-04 712 0.775E-02 0.239E-02
DAV: 19 -0.903399687338E+02 -0.37096E-03 -0.11280E-04 708 0.554E-02 0.912E-03
DAV: 20 -0.903401384902E+02 -0.16976E-03 -0.15272E-05 479 0.261E-02 0.395E-03
DAV: 21 -0.903402567616E+02 -0.11827E-03 -0.18357E-05 502 0.165E-02 0.527E-03
DAV: 22 -0.903402872356E+02 -0.30474E-04 -0.29258E-06 488 0.120E-02 0.306E-03
DAV: 23 -0.903403020410E+02 -0.14805E-04 -0.33846E-06 420 0.956E-03 0.189E-03
DAV: 24 -0.903403031068E+02 -0.10658E-05 -0.53340E-07 536 0.470E-03
1 F= -.90340303E+02 E0= -.90348582E+02 d E =0.248371E-01