iterations/neb0_image09_iter137_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 0.374496218264E+03 0.37450E+03 -0.14283E+04 624 0.799E+02
DAV: 2 0.241792034726E+01 -0.37208E+03 -0.35984E+03 877 0.196E+02
DAV: 3 -0.969304580515E+02 -0.99348E+02 -0.99013E+02 672 0.116E+02
DAV: 4 -0.101272884370E+03 -0.43424E+01 -0.43333E+01 696 0.280E+01
DAV: 5 -0.101357321549E+03 -0.84437E-01 -0.84397E-01 736 0.355E+00 0.227E+01
DAV: 6 -0.926827029809E+02 0.86746E+01 -0.30927E+01 709 0.301E+01 0.119E+01
DAV: 7 -0.918062246187E+02 0.87648E+00 -0.17151E+00 728 0.614E+00 0.480E+00
DAV: 8 -0.914274845608E+02 0.37874E+00 -0.54486E-01 712 0.395E+00 0.163E+00
DAV: 9 -0.913459365447E+02 0.81548E-01 -0.13219E-01 712 0.156E+00 0.425E-01
DAV: 10 -0.913374258072E+02 0.85107E-02 -0.46302E-02 773 0.114E+00 0.305E-01
DAV: 11 -0.913416637252E+02 -0.42379E-02 -0.12628E-02 624 0.589E-01 0.135E-01
DAV: 12 -0.913447444604E+02 -0.30807E-02 -0.30376E-03 617 0.244E-01 0.118E-01
DAV: 13 -0.913485484227E+02 -0.38040E-02 -0.16068E-03 720 0.223E-01 0.425E-02
DAV: 14 -0.913516880971E+02 -0.31397E-02 -0.52423E-04 677 0.117E-01 0.372E-02
DAV: 15 -0.913535041967E+02 -0.18161E-02 -0.15847E-04 656 0.727E-02 0.341E-02
DAV: 16 -0.913546983399E+02 -0.11941E-02 -0.34908E-04 663 0.917E-02 0.216E-02
DAV: 17 -0.913549877240E+02 -0.28938E-03 -0.72537E-05 720 0.598E-02 0.115E-02
DAV: 18 -0.913552380117E+02 -0.25029E-03 -0.40465E-05 556 0.267E-02 0.104E-02
DAV: 19 -0.913552848241E+02 -0.46812E-04 -0.69681E-06 504 0.180E-02 0.488E-03
DAV: 20 -0.913553237027E+02 -0.38879E-04 -0.15203E-05 407 0.245E-02 0.469E-03
DAV: 21 -0.913553380414E+02 -0.14339E-04 -0.32104E-06 472 0.992E-03 0.413E-03
DAV: 22 -0.913553434781E+02 -0.54368E-05 -0.17746E-06 426 0.889E-03
1 F= -.91355343E+02 E0= -.91360096E+02 d E =0.142584E-01