iterations/neb0_image02_iter174_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 0.363633312005E+03 0.36363E+03 -0.14328E+04 632 0.799E+02
DAV: 2 0.111756345928E+01 -0.36252E+03 -0.35140E+03 855 0.195E+02
DAV: 3 -0.957690527351E+02 -0.96887E+02 -0.96567E+02 656 0.115E+02
DAV: 4 -0.100225210499E+03 -0.44562E+01 -0.44461E+01 712 0.285E+01
DAV: 5 -0.100312370032E+03 -0.87160E-01 -0.87130E-01 760 0.358E+00 0.222E+01
DAV: 6 -0.916705590485E+02 0.86418E+01 -0.31089E+01 688 0.300E+01 0.117E+01
DAV: 7 -0.908603136992E+02 0.81025E+00 -0.18425E+00 704 0.637E+00 0.484E+00
DAV: 8 -0.904801337260E+02 0.38018E+00 -0.55320E-01 696 0.431E+00 0.170E+00
DAV: 9 -0.903928112856E+02 0.87322E-01 -0.13751E-01 712 0.167E+00 0.430E-01
DAV: 10 -0.903872743519E+02 0.55369E-02 -0.50038E-02 704 0.129E+00 0.330E-01
DAV: 11 -0.903907964140E+02 -0.35221E-02 -0.76896E-03 616 0.565E-01 0.130E-01
DAV: 12 -0.903940220327E+02 -0.32256E-02 -0.75925E-03 640 0.459E-01 0.140E-01
DAV: 13 -0.903964208740E+02 -0.23988E-02 -0.20151E-03 896 0.355E-01 0.818E-02
DAV: 14 -0.903996161513E+02 -0.31953E-02 -0.14594E-03 634 0.181E-01 0.696E-02
DAV: 15 -0.904015035921E+02 -0.18874E-02 -0.33357E-04 664 0.103E-01 0.552E-02
DAV: 16 -0.904030166315E+02 -0.15130E-02 -0.10847E-03 669 0.196E-01 0.394E-02
DAV: 17 -0.904037454106E+02 -0.72878E-03 -0.14490E-04 680 0.826E-02 0.298E-02
DAV: 18 -0.904040792771E+02 -0.33387E-03 -0.11287E-04 672 0.515E-02 0.104E-02
DAV: 19 -0.904042413326E+02 -0.16206E-03 -0.42207E-05 653 0.328E-02 0.754E-03
DAV: 20 -0.904042711506E+02 -0.29818E-04 -0.37545E-06 520 0.148E-02 0.637E-03
DAV: 21 -0.904043173221E+02 -0.46171E-04 -0.84866E-06 417 0.147E-02 0.426E-03
DAV: 22 -0.904043266304E+02 -0.93084E-05 -0.47238E-06 488 0.132E-02
1 F= -.90404327E+02 E0= -.90410739E+02 d E =0.192362E-01