iterations/neb0_image09_iter236_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 0.374128549911E+03 0.37413E+03 -0.14282E+04 624 0.799E+02
DAV: 2 0.329942681888E+01 -0.37083E+03 -0.35821E+03 869 0.196E+02
DAV: 3 -0.967482268197E+02 -0.10005E+03 -0.99718E+02 661 0.117E+02
DAV: 4 -0.101278059462E+03 -0.45298E+01 -0.45192E+01 720 0.287E+01
DAV: 5 -0.101366776796E+03 -0.88717E-01 -0.88678E-01 720 0.364E+00 0.227E+01
DAV: 6 -0.926845559625E+02 0.86822E+01 -0.30978E+01 728 0.301E+01 0.119E+01
DAV: 7 -0.918118240230E+02 0.87273E+00 -0.17177E+00 720 0.613E+00 0.480E+00
DAV: 8 -0.914352782148E+02 0.37655E+00 -0.54603E-01 712 0.396E+00 0.162E+00
DAV: 9 -0.913544882517E+02 0.80790E-01 -0.13182E-01 712 0.155E+00 0.423E-01
DAV: 10 -0.913463395321E+02 0.81487E-02 -0.44164E-02 760 0.109E+00 0.300E-01
DAV: 11 -0.913507490064E+02 -0.44095E-02 -0.12052E-02 608 0.571E-01 0.134E-01
DAV: 12 -0.913539626969E+02 -0.32137E-02 -0.28582E-03 623 0.242E-01 0.108E-01
DAV: 13 -0.913574261711E+02 -0.34635E-02 -0.13101E-03 682 0.197E-01 0.420E-02
DAV: 14 -0.913607734705E+02 -0.33473E-02 -0.68740E-04 656 0.147E-01 0.364E-02
DAV: 15 -0.913619804365E+02 -0.12070E-02 -0.12861E-04 768 0.787E-02 0.323E-02
DAV: 16 -0.913635008355E+02 -0.15204E-02 -0.35276E-04 642 0.933E-02 0.187E-02
DAV: 17 -0.913638805712E+02 -0.37974E-03 -0.73014E-05 744 0.618E-02 0.117E-02
DAV: 18 -0.913641169186E+02 -0.23635E-03 -0.34495E-05 565 0.243E-02 0.873E-03
DAV: 19 -0.913641847535E+02 -0.67835E-04 -0.97839E-06 488 0.163E-02 0.334E-03
DAV: 20 -0.913642129914E+02 -0.28238E-04 -0.54557E-06 432 0.137E-02 0.165E-03
DAV: 21 -0.913642275741E+02 -0.14583E-04 -0.20705E-06 445 0.633E-03 0.193E-03
DAV: 22 -0.913642324173E+02 -0.48431E-05 -0.71872E-07 461 0.492E-03
1 F= -.91364232E+02 E0= -.91369067E+02 d E =0.145040E-01