iterations/neb0_image09_iter5_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 0.371708383651E+03 0.37171E+03 -0.14275E+04 624 0.799E+02
DAV: 2 0.209272827392E+01 -0.36962E+03 -0.35710E+03 877 0.196E+02
DAV: 3 -0.967297748500E+02 -0.98823E+02 -0.98498E+02 680 0.116E+02
DAV: 4 -0.101028552987E+03 -0.42988E+01 -0.42879E+01 712 0.275E+01
DAV: 5 -0.101113385551E+03 -0.84833E-01 -0.84786E-01 744 0.348E+00 0.225E+01
DAV: 6 -0.924386229110E+02 0.86748E+01 -0.30966E+01 704 0.298E+01 0.118E+01
DAV: 7 -0.915527541566E+02 0.88587E+00 -0.16960E+00 728 0.622E+00 0.478E+00
DAV: 8 -0.911693084874E+02 0.38345E+00 -0.56442E-01 712 0.405E+00 0.165E+00
DAV: 9 -0.910868512462E+02 0.82457E-01 -0.13661E-01 712 0.166E+00 0.442E-01
DAV: 10 -0.910778698636E+02 0.89814E-02 -0.30288E-02 752 0.908E-01 0.269E-01
DAV: 11 -0.910813786232E+02 -0.35088E-02 -0.10446E-02 605 0.572E-01 0.151E-01
DAV: 12 -0.910833563084E+02 -0.19777E-02 -0.17141E-03 688 0.286E-01 0.920E-02
DAV: 13 -0.910882809634E+02 -0.49247E-02 -0.38590E-03 628 0.374E-01 0.874E-02
DAV: 14 -0.910895209362E+02 -0.12400E-02 -0.64486E-04 768 0.218E-01 0.487E-02
DAV: 15 -0.910922818015E+02 -0.27609E-02 -0.13517E-03 680 0.222E-01 0.529E-02
DAV: 16 -0.910935559966E+02 -0.12742E-02 -0.30985E-04 824 0.137E-01 0.264E-02
DAV: 17 -0.910949414906E+02 -0.13855E-02 -0.24338E-04 629 0.712E-02 0.113E-02
DAV: 18 -0.910953367525E+02 -0.39526E-03 -0.61736E-05 744 0.484E-02 0.153E-02
DAV: 19 -0.910954984509E+02 -0.16170E-03 -0.22723E-05 514 0.350E-02 0.793E-03
DAV: 20 -0.910955646726E+02 -0.66222E-04 -0.19830E-05 477 0.246E-02 0.444E-03
DAV: 21 -0.910955812859E+02 -0.16613E-04 -0.43737E-06 488 0.120E-02 0.244E-03
DAV: 22 -0.910956043842E+02 -0.23098E-04 -0.42353E-06 403 0.108E-02 0.161E-03
DAV: 23 -0.910956081897E+02 -0.38055E-05 -0.10466E-06 504 0.461E-03
1 F= -.91095608E+02 E0= -.91099630E+02 d E =0.120663E-01