iterations/neb0_image09_iter195_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 0.374224770116E+03 0.37422E+03 -0.14281E+04 624 0.799E+02
DAV: 2 0.325559422615E+01 -0.37097E+03 -0.35825E+03 869 0.196E+02
DAV: 3 -0.966474369032E+02 -0.99903E+02 -0.99571E+02 653 0.117E+02
DAV: 4 -0.101261706774E+03 -0.46143E+01 -0.46036E+01 720 0.291E+01
DAV: 5 -0.101352680253E+03 -0.90973E-01 -0.90932E-01 728 0.370E+00 0.227E+01
DAV: 6 -0.926780628334E+02 0.86746E+01 -0.30972E+01 725 0.301E+01 0.119E+01
DAV: 7 -0.918099540744E+02 0.86811E+00 -0.17204E+00 720 0.613E+00 0.479E+00
DAV: 8 -0.914346034558E+02 0.37535E+00 -0.54125E-01 712 0.394E+00 0.163E+00
DAV: 9 -0.913528459448E+02 0.81758E-01 -0.13184E-01 712 0.156E+00 0.423E-01
DAV: 10 -0.913445637649E+02 0.82822E-02 -0.44353E-02 776 0.110E+00 0.300E-01
DAV: 11 -0.913489246829E+02 -0.43609E-02 -0.11973E-02 608 0.571E-01 0.133E-01
DAV: 12 -0.913521180914E+02 -0.31934E-02 -0.28509E-03 623 0.246E-01 0.108E-01
DAV: 13 -0.913556566863E+02 -0.35386E-02 -0.12422E-03 661 0.192E-01 0.442E-02
DAV: 14 -0.913589763983E+02 -0.33197E-02 -0.72514E-04 664 0.152E-01 0.362E-02
DAV: 15 -0.913602528101E+02 -0.12764E-02 -0.13093E-04 752 0.777E-02 0.332E-02
DAV: 16 -0.913617122429E+02 -0.14594E-02 -0.32413E-04 648 0.907E-02 0.165E-02
DAV: 17 -0.913621609297E+02 -0.44869E-03 -0.64003E-05 680 0.549E-02 0.133E-02
DAV: 18 -0.913623766513E+02 -0.21572E-03 -0.36680E-05 581 0.280E-02 0.920E-03
DAV: 19 -0.913624511442E+02 -0.74493E-04 -0.89918E-06 480 0.154E-02 0.455E-03
DAV: 20 -0.913624859386E+02 -0.34794E-04 -0.66162E-06 440 0.164E-02 0.180E-03
DAV: 21 -0.913625016786E+02 -0.15740E-04 -0.33795E-06 445 0.846E-03 0.229E-03
DAV: 22 -0.913625043642E+02 -0.26855E-05 -0.55157E-07 496 0.439E-03
1 F= -.91362504E+02 E0= -.91367269E+02 d E =0.142942E-01