iterations/neb0_image05_iter183_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 0.369827397912E+03 0.36983E+03 -0.14302E+04 624 0.799E+02
DAV: 2 0.335607796336E+01 -0.36647E+03 -0.35382E+03 861 0.195E+02
DAV: 3 -0.953876053460E+02 -0.98744E+02 -0.98416E+02 661 0.116E+02
DAV: 4 -0.100029687350E+03 -0.46421E+01 -0.46309E+01 704 0.289E+01
DAV: 5 -0.100123882732E+03 -0.94195E-01 -0.94144E-01 728 0.365E+00 0.222E+01
DAV: 6 -0.915780010651E+02 0.85459E+01 -0.30737E+01 672 0.299E+01 0.117E+01
DAV: 7 -0.907836631581E+02 0.79434E+00 -0.18763E+00 736 0.641E+00 0.483E+00
DAV: 8 -0.904079388986E+02 0.37572E+00 -0.53595E-01 728 0.425E+00 0.170E+00
DAV: 9 -0.903177408139E+02 0.90198E-01 -0.13714E-01 720 0.167E+00 0.428E-01
DAV: 10 -0.903097013153E+02 0.80395E-02 -0.47249E-02 728 0.123E+00 0.319E-01
DAV: 11 -0.903135778936E+02 -0.38766E-02 -0.76948E-03 624 0.543E-01 0.127E-01
DAV: 12 -0.903161101009E+02 -0.25322E-02 -0.56655E-03 610 0.413E-01 0.123E-01
DAV: 13 -0.903186230497E+02 -0.25129E-02 -0.14401E-03 888 0.289E-01 0.723E-02
DAV: 14 -0.903221687181E+02 -0.35457E-02 -0.12184E-03 652 0.152E-01 0.494E-02
DAV: 15 -0.903246117294E+02 -0.24430E-02 -0.32980E-04 704 0.969E-02 0.372E-02
DAV: 16 -0.903262253943E+02 -0.16137E-02 -0.48088E-04 685 0.120E-01 0.269E-02
DAV: 17 -0.903269565262E+02 -0.73113E-03 -0.97462E-05 672 0.632E-02 0.250E-02
DAV: 18 -0.903271752783E+02 -0.21875E-03 -0.89762E-05 696 0.540E-02 0.126E-02
DAV: 19 -0.903273232412E+02 -0.14796E-03 -0.24642E-05 493 0.331E-02 0.449E-03
DAV: 20 -0.903274084450E+02 -0.85204E-04 -0.10612E-05 472 0.151E-02 0.383E-03
DAV: 21 -0.903274399847E+02 -0.31540E-04 -0.46969E-06 456 0.101E-02 0.232E-03
DAV: 22 -0.903274515231E+02 -0.11538E-04 -0.22991E-06 461 0.716E-03 0.100E-03
DAV: 23 -0.903274528640E+02 -0.13409E-05 -0.60316E-07 504 0.423E-03
1 F= -.90327453E+02 E0= -.90335233E+02 d E =0.233410E-01