./iterations/neb0_image03_iter225_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 0.363551725333E+03 0.36355E+03 -0.14325E+04 632 0.799E+02
DAV: 2 -0.227648312549E+00 -0.36378E+03 -0.35407E+03 858 0.195E+02
DAV: 3 -0.961080213343E+02 -0.95880E+02 -0.95572E+02 672 0.115E+02
DAV: 4 -0.100300064819E+03 -0.41920E+01 -0.41813E+01 712 0.273E+01
DAV: 5 -0.100382643971E+03 -0.82579E-01 -0.82546E-01 736 0.343E+00 0.222E+01
DAV: 6 -0.917366297225E+02 0.86460E+01 -0.31058E+01 688 0.298E+01 0.117E+01
DAV: 7 -0.908878719239E+02 0.84876E+00 -0.18051E+00 712 0.636E+00 0.485E+00
DAV: 8 -0.904914221175E+02 0.39645E+00 -0.56977E-01 688 0.433E+00 0.168E+00
DAV: 9 -0.903982404873E+02 0.93182E-01 -0.13333E-01 728 0.168E+00 0.438E-01
DAV: 10 -0.903908741222E+02 0.73664E-02 -0.52411E-02 712 0.129E+00 0.345E-01
DAV: 11 -0.903951019731E+02 -0.42279E-02 -0.88706E-03 624 0.627E-01 0.124E-01
DAV: 12 -0.903986079922E+02 -0.35060E-02 -0.66266E-03 621 0.377E-01 0.136E-01
DAV: 13 -0.904020947536E+02 -0.34868E-02 -0.19843E-03 845 0.360E-01 0.894E-02
DAV: 14 -0.904053421616E+02 -0.32474E-02 -0.13672E-03 650 0.182E-01 0.681E-02
DAV: 15 -0.904074721505E+02 -0.21300E-02 -0.31461E-04 656 0.935E-02 0.410E-02
DAV: 16 -0.904092202938E+02 -0.17481E-02 -0.73508E-04 661 0.154E-01 0.356E-02
DAV: 17 -0.904097965998E+02 -0.57631E-03 -0.11002E-04 744 0.755E-02 0.207E-02
DAV: 18 -0.904103002023E+02 -0.50360E-03 -0.18288E-04 642 0.732E-02 0.131E-02
DAV: 19 -0.904104058295E+02 -0.10563E-03 -0.11798E-05 488 0.257E-02 0.877E-03
DAV: 20 -0.904104822917E+02 -0.76462E-04 -0.28769E-05 549 0.300E-02 0.375E-03
DAV: 21 -0.904105187525E+02 -0.36461E-04 -0.34509E-06 480 0.131E-02 0.217E-03
DAV: 22 -0.904105384046E+02 -0.19652E-04 -0.46307E-06 421 0.109E-02 0.152E-03
DAV: 23 -0.904105413659E+02 -0.29613E-05 -0.71394E-07 528 0.508E-03
1 F= -.90410541E+02 E0= -.90417380E+02 d E =0.205165E-01