iterations/neb0_image09_iter273_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 0.373990684074E+03 0.37399E+03 -0.14281E+04 624 0.799E+02
DAV: 2 0.326210380270E+01 -0.37073E+03 -0.35809E+03 869 0.196E+02
DAV: 3 -0.966531856834E+02 -0.99915E+02 -0.99587E+02 656 0.117E+02
DAV: 4 -0.101264197314E+03 -0.46110E+01 -0.46001E+01 720 0.291E+01
DAV: 5 -0.101355456999E+03 -0.91260E-01 -0.91222E-01 728 0.370E+00 0.227E+01
DAV: 6 -0.926777812310E+02 0.86777E+01 -0.30973E+01 728 0.300E+01 0.119E+01
DAV: 7 -0.918099030196E+02 0.86788E+00 -0.17147E+00 720 0.613E+00 0.479E+00
DAV: 8 -0.914350099572E+02 0.37489E+00 -0.54423E-01 712 0.396E+00 0.162E+00
DAV: 9 -0.913543735968E+02 0.80636E-01 -0.13157E-01 720 0.154E+00 0.421E-01
DAV: 10 -0.913462332617E+02 0.81403E-02 -0.44385E-02 752 0.108E+00 0.301E-01
DAV: 11 -0.913508627540E+02 -0.46295E-02 -0.12702E-02 608 0.585E-01 0.140E-01
DAV: 12 -0.913539199859E+02 -0.30572E-02 -0.28178E-03 620 0.226E-01 0.112E-01
DAV: 13 -0.913576152953E+02 -0.36953E-02 -0.20041E-03 717 0.239E-01 0.447E-02
DAV: 14 -0.913608358757E+02 -0.32206E-02 -0.50959E-04 672 0.120E-01 0.275E-02
DAV: 15 -0.913623220543E+02 -0.14862E-02 -0.11946E-04 656 0.591E-02 0.247E-02
DAV: 16 -0.913635549888E+02 -0.12329E-02 -0.25549E-04 653 0.781E-02 0.184E-02
DAV: 17 -0.913637044392E+02 -0.14945E-03 -0.25457E-05 608 0.409E-02 0.120E-02
DAV: 18 -0.913639602839E+02 -0.25584E-03 -0.61757E-05 615 0.392E-02 0.989E-03
DAV: 19 -0.913640195741E+02 -0.59290E-04 -0.73186E-06 488 0.222E-02 0.470E-03
DAV: 20 -0.913640559568E+02 -0.36383E-04 -0.18037E-05 437 0.245E-02 0.458E-03
DAV: 21 -0.913640706895E+02 -0.14733E-04 -0.29313E-06 453 0.101E-02 0.343E-03
DAV: 22 -0.913640737585E+02 -0.30690E-05 -0.23674E-06 472 0.104E-02
1 F= -.91364074E+02 E0= -.91368795E+02 d E =0.141641E-01