./iterations/neb0_image01_iter238_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 0.365305078146E+03 0.36531E+03 -0.14297E+04 624 0.799E+02
DAV: 2 0.323704768848E+01 -0.36207E+03 -0.34896E+03 839 0.196E+02
DAV: 3 -0.954613662424E+02 -0.98698E+02 -0.98354E+02 645 0.116E+02
DAV: 4 -0.100213843094E+03 -0.47525E+01 -0.47401E+01 704 0.297E+01
DAV: 5 -0.100307739129E+03 -0.93896E-01 -0.93850E-01 736 0.376E+00 0.222E+01
DAV: 6 -0.916909721891E+02 0.86168E+01 -0.31035E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.908910108755E+02 0.79996E+00 -0.18251E+00 712 0.638E+00 0.484E+00
DAV: 8 -0.905147426181E+02 0.37627E+00 -0.55181E-01 704 0.429E+00 0.168E+00
DAV: 9 -0.904312901460E+02 0.83452E-01 -0.13394E-01 720 0.165E+00 0.423E-01
DAV: 10 -0.904266130602E+02 0.46771E-02 -0.46561E-02 720 0.124E+00 0.319E-01
DAV: 11 -0.904305486402E+02 -0.39356E-02 -0.70650E-03 608 0.525E-01 0.129E-01
DAV: 12 -0.904341355795E+02 -0.35869E-02 -0.71005E-03 637 0.484E-01 0.135E-01
DAV: 13 -0.904365153495E+02 -0.23798E-02 -0.17532E-03 869 0.321E-01 0.746E-02
DAV: 14 -0.904396070993E+02 -0.30917E-02 -0.13840E-03 642 0.182E-01 0.642E-02
DAV: 15 -0.904414000622E+02 -0.17930E-02 -0.33917E-04 680 0.110E-01 0.525E-02
DAV: 16 -0.904428165549E+02 -0.14165E-02 -0.96833E-04 669 0.190E-01 0.356E-02
DAV: 17 -0.904435853737E+02 -0.76882E-03 -0.12917E-04 672 0.750E-02 0.320E-02
DAV: 18 -0.904438923093E+02 -0.30694E-03 -0.10562E-04 672 0.547E-02 0.132E-02
DAV: 19 -0.904440478603E+02 -0.15555E-03 -0.53798E-05 653 0.382E-02 0.842E-03
DAV: 20 -0.904440822341E+02 -0.34374E-04 -0.39882E-06 504 0.154E-02 0.939E-03
DAV: 21 -0.904441199591E+02 -0.37725E-04 -0.78439E-06 420 0.183E-02 0.549E-03
DAV: 22 -0.904441269992E+02 -0.70401E-05 -0.72689E-06 496 0.154E-02
1 F= -.90444127E+02 E0= -.90449443E+02 d E =0.159472E-01