./iterations/neb0_image08_iter69_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 0.376679111265E+03 0.37668E+03 -0.14284E+04 624 0.799E+02
DAV: 2 0.474983890226E+01 -0.37193E+03 -0.35739E+03 861 0.196E+02
DAV: 3 -0.966892856996E+02 -0.10144E+03 -0.10110E+03 688 0.117E+02
DAV: 4 -0.101133676799E+03 -0.44444E+01 -0.44341E+01 696 0.278E+01
DAV: 5 -0.101220306341E+03 -0.86630E-01 -0.86592E-01 736 0.350E+00 0.228E+01
DAV: 6 -0.925750242876E+02 0.86453E+01 -0.30814E+01 698 0.303E+01 0.119E+01
DAV: 7 -0.917025475078E+02 0.87248E+00 -0.16923E+00 728 0.615E+00 0.481E+00
DAV: 8 -0.913214496058E+02 0.38110E+00 -0.55503E-01 704 0.402E+00 0.163E+00
DAV: 9 -0.912369220919E+02 0.84528E-01 -0.13067E-01 712 0.155E+00 0.426E-01
DAV: 10 -0.912273306657E+02 0.95914E-02 -0.48593E-02 720 0.114E+00 0.312E-01
DAV: 11 -0.912322788211E+02 -0.49482E-02 -0.15472E-02 616 0.645E-01 0.167E-01
DAV: 12 -0.912350148651E+02 -0.27360E-02 -0.31571E-03 628 0.245E-01 0.133E-01
DAV: 13 -0.912390596879E+02 -0.40448E-02 -0.27864E-03 685 0.295E-01 0.532E-02
DAV: 14 -0.912419102396E+02 -0.28506E-02 -0.47319E-04 656 0.121E-01 0.345E-02
DAV: 15 -0.912442207592E+02 -0.23105E-02 -0.22261E-04 645 0.600E-02 0.295E-02
DAV: 16 -0.912451108755E+02 -0.89012E-03 -0.16850E-04 669 0.638E-02 0.119E-02
DAV: 17 -0.912456479960E+02 -0.53712E-03 -0.42454E-05 567 0.283E-02 0.134E-02
DAV: 18 -0.912458560597E+02 -0.20806E-03 -0.28056E-05 552 0.240E-02 0.562E-03
DAV: 19 -0.912459045856E+02 -0.48526E-04 -0.64319E-06 472 0.149E-02 0.201E-03
DAV: 20 -0.912459335468E+02 -0.28961E-04 -0.46871E-06 423 0.113E-02 0.268E-03
DAV: 21 -0.912459455329E+02 -0.11986E-04 -0.16931E-06 456 0.638E-03 0.247E-03
DAV: 22 -0.912459465711E+02 -0.10382E-05 -0.91348E-07 536 0.621E-03
1 F= -.91245947E+02 E0= -.91250801E+02 d E =0.145621E-01