iterations/neb0_image04_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 0.370433234123E+03 0.37043E+03 -0.14311E+04 632 0.799E+02
DAV: 2 0.408162163397E+01 -0.36635E+03 -0.35371E+03 861 0.195E+02
DAV: 3 -0.952720849567E+02 -0.99354E+02 -0.99034E+02 674 0.116E+02
DAV: 4 -0.997100191790E+02 -0.44379E+01 -0.44261E+01 712 0.281E+01
DAV: 5 -0.997963395001E+02 -0.86320E-01 -0.86279E-01 720 0.354E+00 0.221E+01
DAV: 6 -0.913365639656E+02 0.84598E+01 -0.29959E+01 674 0.295E+01 0.115E+01
DAV: 7 -0.904877135093E+02 0.84885E+00 -0.17249E+00 712 0.629E+00 0.480E+00
DAV: 8 -0.900863534496E+02 0.40136E+00 -0.56903E-01 712 0.432E+00 0.163E+00
DAV: 9 -0.899928697216E+02 0.93484E-01 -0.13272E-01 720 0.174E+00 0.439E-01
DAV: 10 -0.899829541886E+02 0.99155E-02 -0.57332E-02 712 0.137E+00 0.350E-01
DAV: 11 -0.899868573358E+02 -0.39031E-02 -0.13467E-02 634 0.656E-01 0.139E-01
DAV: 12 -0.899889164288E+02 -0.20591E-02 -0.41938E-03 642 0.290E-01 0.132E-01
DAV: 13 -0.899927083712E+02 -0.37919E-02 -0.21604E-03 837 0.364E-01 0.704E-02
DAV: 14 -0.899960723842E+02 -0.33640E-02 -0.11220E-03 650 0.161E-01 0.581E-02
DAV: 15 -0.899985471958E+02 -0.24748E-02 -0.36226E-04 733 0.113E-01 0.338E-02
DAV: 16 -0.900000625409E+02 -0.15153E-02 -0.45648E-04 685 0.112E-01 0.303E-02
DAV: 17 -0.900009569803E+02 -0.89444E-03 -0.15615E-04 807 0.798E-02 0.136E-02
DAV: 18 -0.900012420250E+02 -0.28504E-03 -0.44168E-05 597 0.313E-02 0.709E-03
DAV: 19 -0.900013811696E+02 -0.13914E-03 -0.20539E-05 492 0.200E-02 0.551E-03
DAV: 20 -0.900014315341E+02 -0.50364E-04 -0.54625E-06 453 0.105E-02 0.281E-03
DAV: 21 -0.900014450489E+02 -0.13515E-04 -0.46865E-06 474 0.106E-02 0.224E-03
DAV: 22 -0.900014482394E+02 -0.31906E-05 -0.95932E-07 464 0.602E-03
1 F= -.90001448E+02 E0= -.90005978E+02 d E =0.135907E-01