./iterations/neb0_image06_iter276_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 0.373672653021E+03 0.37367E+03 -0.14316E+04 632 0.799E+02
DAV: 2 0.498693375928E+01 -0.36869E+03 -0.35685E+03 858 0.194E+02
DAV: 3 -0.946532885742E+02 -0.99640E+02 -0.99227E+02 680 0.116E+02
DAV: 4 -0.991952568838E+02 -0.45420E+01 -0.45253E+01 720 0.283E+01
DAV: 5 -0.992877231315E+02 -0.92466E-01 -0.92417E-01 720 0.361E+00 0.222E+01
DAV: 6 -0.908926876593E+02 0.83950E+01 -0.29625E+01 693 0.303E+01 0.116E+01
DAV: 7 -0.900741219909E+02 0.81857E+00 -0.16664E+00 720 0.631E+00 0.481E+00
DAV: 8 -0.896923882196E+02 0.38173E+00 -0.58526E-01 704 0.422E+00 0.161E+00
DAV: 9 -0.896053361973E+02 0.87052E-01 -0.12357E-01 704 0.162E+00 0.438E-01
DAV: 10 -0.895953440602E+02 0.99921E-02 -0.37717E-02 728 0.948E-01 0.301E-01
DAV: 11 -0.895993999301E+02 -0.40559E-02 -0.12832E-02 608 0.641E-01 0.184E-01
DAV: 12 -0.896003031320E+02 -0.90320E-03 -0.36301E-03 672 0.372E-01 0.995E-02
DAV: 13 -0.896050506114E+02 -0.47475E-02 -0.33516E-03 620 0.315E-01 0.922E-02
DAV: 14 -0.896069368436E+02 -0.18862E-02 -0.61062E-04 824 0.192E-01 0.403E-02
DAV: 15 -0.896102729449E+02 -0.33361E-02 -0.85838E-04 627 0.157E-01 0.397E-02
DAV: 16 -0.896120391555E+02 -0.17662E-02 -0.24150E-04 808 0.107E-01 0.137E-02
DAV: 17 -0.896129684776E+02 -0.92932E-03 -0.18596E-04 685 0.692E-02 0.206E-02
DAV: 18 -0.896133109280E+02 -0.34245E-03 -0.38282E-05 592 0.384E-02 0.121E-02
DAV: 19 -0.896134178392E+02 -0.10691E-03 -0.27127E-05 552 0.311E-02 0.349E-03
DAV: 20 -0.896135145523E+02 -0.96713E-04 -0.99414E-06 406 0.151E-02 0.212E-03
DAV: 21 -0.896135416693E+02 -0.27117E-04 -0.33154E-06 472 0.751E-03 0.254E-03
DAV: 22 -0.896135530157E+02 -0.11346E-04 -0.19015E-06 415 0.749E-03 0.197E-03
DAV: 23 -0.896135555792E+02 -0.25635E-05 -0.92419E-07 488 0.580E-03
1 F= -.89613556E+02 E0= -.89618235E+02 d E =0.140396E-01