iterations/neb0_image09_iter255_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 0.374160213694E+03 0.37416E+03 -0.14282E+04 624 0.799E+02
DAV: 2 0.329340255341E+01 -0.37087E+03 -0.35822E+03 869 0.196E+02
DAV: 3 -0.967700737460E+02 -0.10006E+03 -0.99736E+02 661 0.117E+02
DAV: 4 -0.101286177614E+03 -0.45161E+01 -0.45056E+01 720 0.287E+01
DAV: 5 -0.101374572683E+03 -0.88395E-01 -0.88358E-01 728 0.364E+00 0.227E+01
DAV: 6 -0.926825682903E+02 0.86920E+01 -0.31027E+01 728 0.301E+01 0.119E+01
DAV: 7 -0.918116111049E+02 0.87096E+00 -0.17190E+00 720 0.613E+00 0.480E+00
DAV: 8 -0.914356540691E+02 0.37596E+00 -0.54247E-01 712 0.395E+00 0.163E+00
DAV: 9 -0.913543972961E+02 0.81257E-01 -0.13241E-01 712 0.155E+00 0.422E-01
DAV: 10 -0.913462453209E+02 0.81520E-02 -0.44328E-02 760 0.108E+00 0.301E-01
DAV: 11 -0.913507707835E+02 -0.45255E-02 -0.12543E-02 608 0.583E-01 0.138E-01
DAV: 12 -0.913538813815E+02 -0.31106E-02 -0.27910E-03 623 0.234E-01 0.109E-01
DAV: 13 -0.913574509333E+02 -0.35696E-02 -0.16348E-03 685 0.215E-01 0.420E-02
DAV: 14 -0.913608355381E+02 -0.33846E-02 -0.60716E-04 656 0.141E-01 0.301E-02
DAV: 15 -0.913620815791E+02 -0.12460E-02 -0.11550E-04 720 0.671E-02 0.291E-02
DAV: 16 -0.913635026317E+02 -0.14211E-02 -0.34058E-04 645 0.966E-02 0.203E-02
DAV: 17 -0.913637643247E+02 -0.26169E-03 -0.45497E-05 688 0.510E-02 0.127E-02
DAV: 18 -0.913639853267E+02 -0.22100E-03 -0.50205E-05 637 0.360E-02 0.995E-03
DAV: 19 -0.913640930692E+02 -0.10774E-03 -0.94213E-06 456 0.181E-02 0.511E-03
DAV: 20 -0.913641303701E+02 -0.37301E-04 -0.11621E-05 464 0.197E-02 0.235E-03
DAV: 21 -0.913641475543E+02 -0.17184E-04 -0.29445E-06 445 0.861E-03 0.219E-03
DAV: 22 -0.913641529314E+02 -0.53771E-05 -0.94522E-07 472 0.468E-03
1 F= -.91364153E+02 E0= -.91368938E+02 d E =0.143556E-01