./iterations/neb0_image09_iter22_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 0.373807389499E+03 0.37381E+03 -0.14280E+04 624 0.799E+02
DAV: 2 0.192452809530E+01 -0.37188E+03 -0.35935E+03 885 0.196E+02
DAV: 3 -0.968006657474E+02 -0.98725E+02 -0.98400E+02 664 0.116E+02
DAV: 4 -0.101221340879E+03 -0.44207E+01 -0.44110E+01 688 0.283E+01
DAV: 5 -0.101307619068E+03 -0.86278E-01 -0.86232E-01 736 0.360E+00 0.227E+01
DAV: 6 -0.926314672915E+02 0.86762E+01 -0.30900E+01 712 0.301E+01 0.119E+01
DAV: 7 -0.917485987307E+02 0.88287E+00 -0.16898E+00 720 0.611E+00 0.479E+00
DAV: 8 -0.913705078184E+02 0.37809E+00 -0.54275E-01 712 0.393E+00 0.164E+00
DAV: 9 -0.912873393323E+02 0.83168E-01 -0.13173E-01 712 0.154E+00 0.429E-01
DAV: 10 -0.912784365526E+02 0.89028E-02 -0.42153E-02 768 0.106E+00 0.292E-01
DAV: 11 -0.912829798985E+02 -0.45433E-02 -0.12211E-02 618 0.577E-01 0.145E-01
DAV: 12 -0.912858084873E+02 -0.28286E-02 -0.23067E-03 629 0.225E-01 0.110E-01
DAV: 13 -0.912898427830E+02 -0.40343E-02 -0.22469E-03 658 0.240E-01 0.492E-02
DAV: 14 -0.912929196892E+02 -0.30769E-02 -0.72443E-04 672 0.178E-01 0.316E-02
DAV: 15 -0.912946841554E+02 -0.17645E-02 -0.27765E-04 656 0.869E-02 0.267E-02
DAV: 16 -0.912955239866E+02 -0.83983E-03 -0.14683E-04 797 0.773E-02 0.132E-02
DAV: 17 -0.912962918801E+02 -0.76789E-03 -0.86210E-05 653 0.426E-02 0.140E-02
DAV: 18 -0.912964707753E+02 -0.17890E-03 -0.15795E-05 504 0.222E-02 0.108E-02
DAV: 19 -0.912966397480E+02 -0.16897E-03 -0.63161E-05 614 0.434E-02 0.896E-03
DAV: 20 -0.912966405719E+02 -0.82386E-06 -0.45062E-06 536 0.156E-02
1 F= -.91296641E+02 E0= -.91301426E+02 d E =0.143577E-01