iterations/neb0_image02_iter163_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 0.364128656350E+03 0.36413E+03 -0.14332E+04 632 0.799E+02
DAV: 2 0.188391659465E+01 -0.36224E+03 -0.35013E+03 853 0.195E+02
DAV: 3 -0.956357654890E+02 -0.97520E+02 -0.97183E+02 648 0.116E+02
DAV: 4 -0.100242839734E+03 -0.46071E+01 -0.45963E+01 728 0.291E+01
DAV: 5 -0.100333781969E+03 -0.90942E-01 -0.90913E-01 752 0.367E+00 0.222E+01
DAV: 6 -0.916827941400E+02 0.86510E+01 -0.30940E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.908623196974E+02 0.82047E+00 -0.18491E+00 704 0.637E+00 0.484E+00
DAV: 8 -0.904807588321E+02 0.38156E+00 -0.55807E-01 696 0.432E+00 0.169E+00
DAV: 9 -0.903939853162E+02 0.86774E-01 -0.13703E-01 712 0.167E+00 0.431E-01
DAV: 10 -0.903884106747E+02 0.55746E-02 -0.49615E-02 704 0.128E+00 0.331E-01
DAV: 11 -0.903919028673E+02 -0.34922E-02 -0.74955E-03 616 0.561E-01 0.130E-01
DAV: 12 -0.903951028474E+02 -0.32000E-02 -0.74624E-03 640 0.447E-01 0.138E-01
DAV: 13 -0.903976770629E+02 -0.25742E-02 -0.20369E-03 880 0.360E-01 0.832E-02
DAV: 14 -0.904008064158E+02 -0.31294E-02 -0.13927E-03 642 0.172E-01 0.696E-02
DAV: 15 -0.904028094529E+02 -0.20030E-02 -0.36892E-04 669 0.110E-01 0.517E-02
DAV: 16 -0.904042803233E+02 -0.14709E-02 -0.98693E-04 672 0.181E-01 0.392E-02
DAV: 17 -0.904050400996E+02 -0.75978E-03 -0.17014E-04 792 0.898E-02 0.233E-02
DAV: 18 -0.904053364436E+02 -0.29634E-03 -0.75535E-05 680 0.402E-02 0.874E-03
DAV: 19 -0.904054866825E+02 -0.15024E-03 -0.32518E-05 597 0.288E-02 0.620E-03
DAV: 20 -0.904055109892E+02 -0.24307E-04 -0.30805E-06 520 0.125E-02 0.523E-03
DAV: 21 -0.904055664605E+02 -0.55471E-04 -0.10967E-05 414 0.171E-02 0.322E-03
DAV: 22 -0.904055716146E+02 -0.51541E-05 -0.33544E-06 496 0.111E-02
1 F= -.90405572E+02 E0= -.90412292E+02 d E =0.201598E-01