./iterations/neb0_image08_iter125_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 0.374659202094E+03 0.37466E+03 -0.14276E+04 624 0.799E+02
DAV: 2 0.323272133241E+01 -0.37143E+03 -0.35856E+03 869 0.196E+02
DAV: 3 -0.967323365975E+02 -0.99965E+02 -0.99624E+02 677 0.117E+02
DAV: 4 -0.101138858126E+03 -0.44065E+01 -0.43960E+01 704 0.278E+01
DAV: 5 -0.101226372354E+03 -0.87514E-01 -0.87480E-01 736 0.352E+00 0.226E+01
DAV: 6 -0.926144557789E+02 0.86119E+01 -0.30823E+01 714 0.302E+01 0.118E+01
DAV: 7 -0.917572825024E+02 0.85717E+00 -0.17009E+00 720 0.615E+00 0.480E+00
DAV: 8 -0.913803676905E+02 0.37691E+00 -0.55617E-01 704 0.402E+00 0.162E+00
DAV: 9 -0.912981673538E+02 0.82200E-01 -0.13007E-01 712 0.156E+00 0.424E-01
DAV: 10 -0.912892079658E+02 0.89594E-02 -0.45621E-02 736 0.111E+00 0.304E-01
DAV: 11 -0.912940114974E+02 -0.48035E-02 -0.13776E-02 613 0.604E-01 0.156E-01
DAV: 12 -0.912968719757E+02 -0.28605E-02 -0.28956E-03 617 0.254E-01 0.110E-01
DAV: 13 -0.913003611380E+02 -0.34892E-02 -0.14781E-03 650 0.206E-01 0.482E-02
DAV: 14 -0.913038840686E+02 -0.35229E-02 -0.86729E-04 656 0.190E-01 0.387E-02
DAV: 15 -0.913051342187E+02 -0.12502E-02 -0.24680E-04 672 0.994E-02 0.401E-02
DAV: 16 -0.913062851100E+02 -0.11509E-02 -0.32968E-04 688 0.104E-01 0.173E-02
DAV: 17 -0.913068418080E+02 -0.55670E-03 -0.71933E-05 672 0.535E-02 0.142E-02
DAV: 18 -0.913070971281E+02 -0.25532E-03 -0.44462E-05 584 0.341E-02 0.117E-02
DAV: 19 -0.913072316727E+02 -0.13454E-03 -0.18366E-05 456 0.230E-02 0.572E-03
DAV: 20 -0.913072691395E+02 -0.37467E-04 -0.85508E-06 480 0.158E-02 0.282E-03
DAV: 21 -0.913072921246E+02 -0.22985E-04 -0.59816E-06 410 0.156E-02 0.239E-03
DAV: 22 -0.913073004201E+02 -0.82955E-05 -0.20551E-06 466 0.673E-03
1 F= -.91307300E+02 E0= -.91312339E+02 d E =0.151144E-01