./iterations/neb0_image03_iter268_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 0.363697938336E+03 0.36370E+03 -0.14328E+04 632 0.799E+02
DAV: 2 0.179538754063E+01 -0.36190E+03 -0.34973E+03 845 0.195E+02
DAV: 3 -0.960510159841E+02 -0.97846E+02 -0.97534E+02 677 0.116E+02
DAV: 4 -0.100344126718E+03 -0.42931E+01 -0.42827E+01 704 0.275E+01
DAV: 5 -0.100427473665E+03 -0.83347E-01 -0.83320E-01 744 0.344E+00 0.223E+01
DAV: 6 -0.917194576817E+02 0.87080E+01 -0.31465E+01 688 0.300E+01 0.117E+01
DAV: 7 -0.908780904256E+02 0.84137E+00 -0.18039E+00 712 0.632E+00 0.485E+00
DAV: 8 -0.904872799927E+02 0.39081E+00 -0.55378E-01 696 0.426E+00 0.170E+00
DAV: 9 -0.903960699042E+02 0.91210E-01 -0.13510E-01 704 0.168E+00 0.437E-01
DAV: 10 -0.903899771507E+02 0.60928E-02 -0.46978E-02 712 0.121E+00 0.333E-01
DAV: 11 -0.903941155894E+02 -0.41384E-02 -0.73832E-03 624 0.608E-01 0.119E-01
DAV: 12 -0.903973688956E+02 -0.32533E-02 -0.52239E-03 629 0.345E-01 0.116E-01
DAV: 13 -0.904015361065E+02 -0.41672E-02 -0.13936E-03 799 0.259E-01 0.835E-02
DAV: 14 -0.904047888423E+02 -0.32527E-02 -0.12076E-03 656 0.153E-01 0.519E-02
DAV: 15 -0.904069471857E+02 -0.21583E-02 -0.31113E-04 685 0.930E-02 0.267E-02
DAV: 16 -0.904083952855E+02 -0.14481E-02 -0.34363E-04 661 0.972E-02 0.266E-02
DAV: 17 -0.904089062148E+02 -0.51093E-03 -0.93990E-05 784 0.643E-02 0.125E-02
DAV: 18 -0.904091568981E+02 -0.25068E-03 -0.59213E-05 656 0.407E-02 0.119E-02
DAV: 19 -0.904092833737E+02 -0.12648E-03 -0.14559E-05 482 0.268E-02 0.606E-03
DAV: 20 -0.904093642341E+02 -0.80860E-04 -0.30476E-05 573 0.291E-02 0.657E-03
DAV: 21 -0.904093987242E+02 -0.34490E-04 -0.70806E-06 480 0.229E-02 0.212E-03
DAV: 22 -0.904094076524E+02 -0.89281E-05 -0.64963E-06 520 0.134E-02
1 F= -.90409408E+02 E0= -.90417480E+02 d E =0.242177E-01