iterations/neb0_image07_iter285_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 0.375820265624E+03 0.37582E+03 -0.14289E+04 624 0.799E+02
DAV: 2 0.502909275300E+01 -0.37079E+03 -0.35942E+03 861 0.195E+02
DAV: 3 -0.963862491201E+02 -0.10142E+03 -0.10110E+03 656 0.117E+02
DAV: 4 -0.101242052498E+03 -0.48558E+01 -0.48445E+01 712 0.299E+01
DAV: 5 -0.101338885686E+03 -0.96833E-01 -0.96795E-01 728 0.379E+00 0.228E+01
DAV: 6 -0.926345796740E+02 0.87043E+01 -0.31013E+01 712 0.301E+01 0.119E+01
DAV: 7 -0.917522383633E+02 0.88234E+00 -0.17083E+00 728 0.614E+00 0.479E+00
DAV: 8 -0.913720367874E+02 0.38020E+00 -0.54283E-01 736 0.395E+00 0.162E+00
DAV: 9 -0.912880027530E+02 0.84034E-01 -0.12793E-01 736 0.152E+00 0.423E-01
DAV: 10 -0.912782549820E+02 0.97478E-02 -0.43999E-02 720 0.107E+00 0.297E-01
DAV: 11 -0.912832276815E+02 -0.49727E-02 -0.13122E-02 605 0.586E-01 0.156E-01
DAV: 12 -0.912863941691E+02 -0.31665E-02 -0.30305E-03 617 0.231E-01 0.110E-01
DAV: 13 -0.912903689120E+02 -0.39747E-02 -0.24876E-03 662 0.264E-01 0.555E-02
DAV: 14 -0.912937815619E+02 -0.34126E-02 -0.96379E-04 669 0.185E-01 0.313E-02
DAV: 15 -0.912952735319E+02 -0.14920E-02 -0.20366E-04 672 0.758E-02 0.208E-02
DAV: 16 -0.912960778484E+02 -0.80432E-03 -0.13761E-04 760 0.746E-02 0.108E-02
DAV: 17 -0.912966872279E+02 -0.60938E-03 -0.58620E-05 639 0.318E-02 0.123E-02
DAV: 18 -0.912968313108E+02 -0.14408E-03 -0.10027E-05 504 0.178E-02 0.725E-03
DAV: 19 -0.912969759938E+02 -0.14468E-03 -0.38418E-05 537 0.321E-02 0.542E-03
DAV: 20 -0.912969853133E+02 -0.93195E-05 -0.28313E-06 528 0.126E-02
1 F= -.91296985E+02 E0= -.91301678E+02 d E =0.140778E-01