iterations/neb0_image05_iter265_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 0.367451213379E+03 0.36745E+03 -0.14305E+04 624 0.799E+02
DAV: 2 0.447642067578E+01 -0.36297E+03 -0.34932E+03 845 0.196E+02
DAV: 3 -0.953765567626E+02 -0.99853E+02 -0.99503E+02 653 0.117E+02
DAV: 4 -0.100170473944E+03 -0.47939E+01 -0.47827E+01 712 0.298E+01
DAV: 5 -0.100264067768E+03 -0.93594E-01 -0.93548E-01 728 0.374E+00 0.222E+01
DAV: 6 -0.916131538442E+02 0.86509E+01 -0.31163E+01 696 0.300E+01 0.117E+01
DAV: 7 -0.907893109491E+02 0.82384E+00 -0.17698E+00 712 0.625E+00 0.483E+00
DAV: 8 -0.904111887036E+02 0.37812E+00 -0.55137E-01 728 0.429E+00 0.167E+00
DAV: 9 -0.903236233001E+02 0.87565E-01 -0.12776E-01 728 0.166E+00 0.435E-01
DAV: 10 -0.903143144107E+02 0.93089E-02 -0.40977E-02 728 0.113E+00 0.316E-01
DAV: 11 -0.903180031147E+02 -0.36887E-02 -0.90128E-03 608 0.761E-01 0.198E-01
DAV: 12 -0.903184864425E+02 -0.48333E-03 -0.29223E-03 712 0.338E-01 0.114E-01
DAV: 13 -0.903212534166E+02 -0.27670E-02 -0.20072E-03 599 0.233E-01 0.943E-02
DAV: 14 -0.903252402911E+02 -0.39869E-02 -0.82083E-04 727 0.157E-01 0.604E-02
DAV: 15 -0.903285437525E+02 -0.33035E-02 -0.65840E-04 668 0.111E-01 0.440E-02
DAV: 16 -0.903305177002E+02 -0.19739E-02 -0.34107E-04 752 0.108E-01 0.276E-02
DAV: 17 -0.903315261889E+02 -0.10085E-02 -0.13280E-04 690 0.825E-02 0.197E-02
DAV: 18 -0.903320924287E+02 -0.56624E-03 -0.23146E-04 712 0.986E-02 0.265E-02
DAV: 19 -0.903323387281E+02 -0.24630E-03 -0.96706E-05 786 0.691E-02 0.120E-02
DAV: 20 -0.903324190699E+02 -0.80342E-04 -0.25627E-05 592 0.339E-02 0.418E-03
DAV: 21 -0.903325338937E+02 -0.11482E-03 -0.19452E-05 430 0.228E-02 0.314E-03
DAV: 22 -0.903325552458E+02 -0.21352E-04 -0.47706E-06 488 0.943E-03 0.292E-03
DAV: 23 -0.903325599586E+02 -0.47128E-05 -0.15907E-06 504 0.866E-03
1 F= -.90332560E+02 E0= -.90340967E+02 d E =0.252200E-01