iterations/neb0_image05_iter58_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 0.372999679015E+03 0.37300E+03 -0.14309E+04 632 0.799E+02
DAV: 2 0.408971814655E+01 -0.36891E+03 -0.35688E+03 874 0.195E+02
DAV: 3 -0.937345666092E+02 -0.97824E+02 -0.97474E+02 640 0.116E+02
DAV: 4 -0.984624904309E+02 -0.47279E+01 -0.47140E+01 728 0.299E+01
DAV: 5 -0.985639336878E+02 -0.10144E+00 -0.10140E+00 720 0.390E+00 0.218E+01
DAV: 6 -0.903375072856E+02 0.82264E+01 -0.28759E+01 704 0.290E+01 0.112E+01
DAV: 7 -0.894930829375E+02 0.84442E+00 -0.17516E+00 720 0.653E+00 0.466E+00
DAV: 8 -0.891148425996E+02 0.37824E+00 -0.60262E-01 696 0.432E+00 0.156E+00
DAV: 9 -0.890296412220E+02 0.85201E-01 -0.12561E-01 712 0.158E+00 0.433E-01
DAV: 10 -0.890187076161E+02 0.10934E-01 -0.40350E-02 733 0.107E+00 0.312E-01
DAV: 11 -0.890210027465E+02 -0.22951E-02 -0.90409E-03 624 0.532E-01 0.123E-01
DAV: 12 -0.890234109701E+02 -0.24082E-02 -0.25000E-03 690 0.270E-01 0.987E-02
DAV: 13 -0.890285001671E+02 -0.50892E-02 -0.13913E-03 631 0.240E-01 0.694E-02
DAV: 14 -0.890314731283E+02 -0.29730E-02 -0.90541E-04 674 0.147E-01 0.339E-02
DAV: 15 -0.890341826413E+02 -0.27095E-02 -0.41402E-04 685 0.111E-01 0.241E-02
DAV: 16 -0.890353950746E+02 -0.12124E-02 -0.90261E-05 701 0.547E-02 0.122E-02
DAV: 17 -0.890363105715E+02 -0.91550E-03 -0.15202E-04 671 0.600E-02 0.151E-02
DAV: 18 -0.890365185770E+02 -0.20801E-03 -0.52739E-05 768 0.564E-02 0.920E-03
DAV: 19 -0.890365786273E+02 -0.60050E-04 -0.14016E-05 480 0.249E-02 0.657E-03
DAV: 20 -0.890366804352E+02 -0.10181E-03 -0.25045E-05 483 0.272E-02 0.528E-03
DAV: 21 -0.890367115473E+02 -0.31112E-04 -0.42769E-06 488 0.150E-02 0.316E-03
DAV: 22 -0.890367217551E+02 -0.10208E-04 -0.58271E-06 469 0.142E-02 0.262E-03
DAV: 23 -0.890367244283E+02 -0.26733E-05 -0.82809E-07 480 0.714E-03
1 F= -.89036724E+02 E0= -.89040597E+02 d E =0.116185E-01