iterations/neb0_image05_iter140_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 0.367616520048E+03 0.36762E+03 -0.14336E+04 640 0.799E+02
DAV: 2 0.278760693963E+01 -0.36483E+03 -0.35181E+03 874 0.193E+02
DAV: 3 -0.944514254938E+02 -0.97239E+02 -0.96859E+02 632 0.115E+02
DAV: 4 -0.992197846950E+02 -0.47684E+01 -0.47554E+01 720 0.299E+01
DAV: 5 -0.993201864115E+02 -0.10040E+00 -0.10036E+00 736 0.384E+00 0.221E+01
DAV: 6 -0.908011871161E+02 0.85190E+01 -0.29918E+01 677 0.296E+01 0.115E+01
DAV: 7 -0.899726766454E+02 0.82851E+00 -0.17976E+00 728 0.653E+00 0.476E+00
DAV: 8 -0.895955852334E+02 0.37709E+00 -0.54952E-01 712 0.432E+00 0.173E+00
DAV: 9 -0.895042171816E+02 0.91368E-01 -0.13681E-01 728 0.182E+00 0.538E-01
DAV: 10 -0.894935278759E+02 0.10689E-01 -0.24191E-02 720 0.804E-01 0.321E-01
DAV: 11 -0.894931688946E+02 0.35898E-03 -0.10655E-02 725 0.495E-01 0.177E-01
DAV: 12 -0.894964067851E+02 -0.32379E-02 -0.33421E-03 631 0.369E-01 0.102E-01
DAV: 13 -0.894994058102E+02 -0.29990E-02 -0.98345E-04 668 0.175E-01 0.826E-02
DAV: 14 -0.895040212707E+02 -0.46155E-02 -0.20216E-03 633 0.241E-01 0.502E-02
DAV: 15 -0.895054831490E+02 -0.14619E-02 -0.23269E-04 728 0.116E-01 0.327E-02
DAV: 16 -0.895079019508E+02 -0.24188E-02 -0.73505E-04 735 0.160E-01 0.375E-02
DAV: 17 -0.895085290458E+02 -0.62710E-03 -0.99730E-05 824 0.812E-02 0.206E-02
DAV: 18 -0.895092495208E+02 -0.72047E-03 -0.16035E-04 692 0.684E-02 0.883E-03
DAV: 19 -0.895095881651E+02 -0.33864E-03 -0.32199E-05 570 0.280E-02 0.102E-02
DAV: 20 -0.895096927299E+02 -0.10456E-03 -0.80788E-06 504 0.182E-02 0.617E-03
DAV: 21 -0.895097686916E+02 -0.75962E-04 -0.30555E-05 582 0.320E-02 0.665E-03
DAV: 22 -0.895097864562E+02 -0.17765E-04 -0.30500E-06 485 0.153E-02 0.394E-03
DAV: 23 -0.895097931855E+02 -0.67294E-05 -0.52079E-06 440 0.122E-02
1 F= -.89509793E+02 E0= -.89517816E+02 d E =0.240683E-01