./iterations/neb0_image09_iter218_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 0.373974777068E+03 0.37397E+03 -0.14280E+04 624 0.799E+02
DAV: 2 0.328585890978E+01 -0.37069E+03 -0.35808E+03 869 0.196E+02
DAV: 3 -0.967168645753E+02 -0.10000E+03 -0.99674E+02 661 0.117E+02
DAV: 4 -0.101250353171E+03 -0.45335E+01 -0.45228E+01 720 0.287E+01
DAV: 5 -0.101339400357E+03 -0.89047E-01 -0.89006E-01 728 0.365E+00 0.227E+01
DAV: 6 -0.926735151338E+02 0.86659E+01 -0.30991E+01 728 0.300E+01 0.119E+01
DAV: 7 -0.918089225551E+02 0.86459E+00 -0.17174E+00 720 0.612E+00 0.479E+00
DAV: 8 -0.914338913502E+02 0.37503E+00 -0.54400E-01 712 0.395E+00 0.162E+00
DAV: 9 -0.913531553694E+02 0.80736E-01 -0.13167E-01 712 0.155E+00 0.422E-01
DAV: 10 -0.913450355295E+02 0.81198E-02 -0.43823E-02 752 0.109E+00 0.299E-01
DAV: 11 -0.913493407478E+02 -0.43052E-02 -0.11597E-02 608 0.559E-01 0.131E-01
DAV: 12 -0.913526489582E+02 -0.33082E-02 -0.28912E-03 623 0.245E-01 0.109E-01
DAV: 13 -0.913560554545E+02 -0.34065E-02 -0.11612E-03 682 0.190E-01 0.429E-02
DAV: 14 -0.913592161657E+02 -0.31607E-02 -0.71196E-04 664 0.140E-01 0.393E-02
DAV: 15 -0.913606343906E+02 -0.14182E-02 -0.14420E-04 736 0.819E-02 0.328E-02
DAV: 16 -0.913621018607E+02 -0.14675E-02 -0.32437E-04 656 0.857E-02 0.174E-02
DAV: 17 -0.913625490746E+02 -0.44721E-03 -0.71427E-05 696 0.559E-02 0.121E-02
DAV: 18 -0.913627809838E+02 -0.23191E-03 -0.38361E-05 573 0.266E-02 0.924E-03
DAV: 19 -0.913628211944E+02 -0.40211E-04 -0.75401E-06 512 0.167E-02 0.414E-03
DAV: 20 -0.913628516741E+02 -0.30480E-04 -0.79644E-06 418 0.171E-02 0.219E-03
DAV: 21 -0.913628627624E+02 -0.11088E-04 -0.20586E-06 480 0.703E-03 0.240E-03
DAV: 22 -0.913628676165E+02 -0.48541E-05 -0.60349E-07 440 0.494E-03
1 F= -.91362868E+02 E0= -.91367578E+02 d E =0.141322E-01