iterations/neb0_image09_iter110_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 0.374850529806E+03 0.37485E+03 -0.14283E+04 624 0.799E+02
DAV: 2 0.250465087656E+01 -0.37235E+03 -0.36001E+03 877 0.196E+02
DAV: 3 -0.967167074468E+02 -0.99221E+02 -0.98886E+02 656 0.117E+02
DAV: 4 -0.101252000979E+03 -0.45353E+01 -0.45259E+01 696 0.289E+01
DAV: 5 -0.101341561907E+03 -0.89561E-01 -0.89522E-01 736 0.368E+00 0.227E+01
DAV: 6 -0.926739335602E+02 0.86676E+01 -0.30867E+01 701 0.301E+01 0.119E+01
DAV: 7 -0.918037463648E+02 0.87019E+00 -0.17165E+00 728 0.615E+00 0.480E+00
DAV: 8 -0.914268347436E+02 0.37691E+00 -0.54261E-01 712 0.395E+00 0.163E+00
DAV: 9 -0.913443807362E+02 0.82454E-01 -0.13163E-01 712 0.155E+00 0.424E-01
DAV: 10 -0.913355744906E+02 0.88062E-02 -0.46207E-02 784 0.113E+00 0.305E-01
DAV: 11 -0.913400254725E+02 -0.44510E-02 -0.13295E-02 616 0.602E-01 0.144E-01
DAV: 12 -0.913429471286E+02 -0.29217E-02 -0.29958E-03 623 0.244E-01 0.113E-01
DAV: 13 -0.913468008899E+02 -0.38538E-02 -0.15645E-03 712 0.215E-01 0.437E-02
DAV: 14 -0.913502103256E+02 -0.34094E-02 -0.59032E-04 661 0.132E-01 0.343E-02
DAV: 15 -0.913516110843E+02 -0.14008E-02 -0.13583E-04 712 0.730E-02 0.336E-02
DAV: 16 -0.913529628178E+02 -0.13517E-02 -0.34497E-04 647 0.923E-02 0.194E-02
DAV: 17 -0.913532551832E+02 -0.29237E-03 -0.55111E-05 672 0.546E-02 0.114E-02
DAV: 18 -0.913535073904E+02 -0.25221E-03 -0.44550E-05 556 0.294E-02 0.110E-02
DAV: 19 -0.913535736941E+02 -0.66304E-04 -0.82121E-06 488 0.179E-02 0.528E-03
DAV: 20 -0.913536049092E+02 -0.31215E-04 -0.13228E-05 448 0.231E-02 0.333E-03
DAV: 21 -0.913536216346E+02 -0.16725E-04 -0.28738E-06 434 0.948E-03 0.287E-03
DAV: 22 -0.913536276659E+02 -0.60314E-05 -0.16298E-06 450 0.769E-03
1 F= -.91353628E+02 E0= -.91358387E+02 d E =0.142779E-01