./iterations/neb0_image01_iter65_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 0.366479210111E+03 0.36648E+03 -0.14296E+04 624 0.799E+02
DAV: 2 0.342209443670E+01 -0.36306E+03 -0.34962E+03 839 0.195E+02
DAV: 3 -0.957643277636E+02 -0.99186E+02 -0.98846E+02 688 0.116E+02
DAV: 4 -0.100182510053E+03 -0.44182E+01 -0.44089E+01 693 0.278E+01
DAV: 5 -0.100269956307E+03 -0.87446E-01 -0.87396E-01 744 0.349E+00 0.222E+01
DAV: 6 -0.916736736615E+02 0.85963E+01 -0.31154E+01 685 0.299E+01 0.117E+01
DAV: 7 -0.908626632812E+02 0.81101E+00 -0.18132E+00 720 0.636E+00 0.484E+00
DAV: 8 -0.904814478842E+02 0.38122E+00 -0.55811E-01 712 0.426E+00 0.168E+00
DAV: 9 -0.903965888833E+02 0.84859E-01 -0.13714E-01 704 0.164E+00 0.430E-01
DAV: 10 -0.903909361337E+02 0.56527E-02 -0.45426E-02 720 0.127E+00 0.316E-01
DAV: 11 -0.903946465926E+02 -0.37105E-02 -0.66666E-03 616 0.469E-01 0.152E-01
DAV: 12 -0.903981117245E+02 -0.34651E-02 -0.70065E-03 616 0.491E-01 0.125E-01
DAV: 13 -0.904010008156E+02 -0.28891E-02 -0.11954E-03 784 0.293E-01 0.792E-02
DAV: 14 -0.904038783784E+02 -0.28776E-02 -0.16695E-03 631 0.198E-01 0.608E-02
DAV: 15 -0.904061413759E+02 -0.22630E-02 -0.47881E-04 752 0.147E-01 0.427E-02
DAV: 16 -0.904072276380E+02 -0.10863E-02 -0.54476E-04 661 0.130E-01 0.339E-02
DAV: 17 -0.904081612931E+02 -0.93366E-03 -0.17849E-04 748 0.882E-02 0.204E-02
DAV: 18 -0.904083570316E+02 -0.19574E-03 -0.48724E-05 704 0.345E-02 0.141E-02
DAV: 19 -0.904086041383E+02 -0.24711E-03 -0.49012E-05 601 0.360E-02 0.397E-03
DAV: 20 -0.904086625150E+02 -0.58377E-04 -0.47965E-06 480 0.121E-02 0.394E-03
DAV: 21 -0.904087074454E+02 -0.44930E-04 -0.57265E-06 414 0.113E-02 0.171E-03
DAV: 22 -0.904087223737E+02 -0.14928E-04 -0.33373E-06 477 0.766E-03 0.147E-03
DAV: 23 -0.904087239673E+02 -0.15937E-05 -0.46972E-07 528 0.346E-03
1 F= -.90408724E+02 E0= -.90413989E+02 d E =0.157944E-01