iterations/neb0_image09_iter297_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 0.374235432582E+03 0.37424E+03 -0.14283E+04 624 0.799E+02
DAV: 2 0.336082403265E+01 -0.37087E+03 -0.35816E+03 866 0.196E+02
DAV: 3 -0.967798622315E+02 -0.10014E+03 -0.99818E+02 664 0.117E+02
DAV: 4 -0.101313437335E+03 -0.45336E+01 -0.45228E+01 712 0.287E+01
DAV: 5 -0.101402211746E+03 -0.88774E-01 -0.88733E-01 736 0.364E+00 0.228E+01
DAV: 6 -0.926877164282E+02 0.87145E+01 -0.31046E+01 728 0.302E+01 0.119E+01
DAV: 7 -0.918119618738E+02 0.87575E+00 -0.17312E+00 728 0.615E+00 0.479E+00
DAV: 8 -0.914352551959E+02 0.37671E+00 -0.54038E-01 704 0.396E+00 0.163E+00
DAV: 9 -0.913533419335E+02 0.81913E-01 -0.13246E-01 720 0.154E+00 0.423E-01
DAV: 10 -0.913450730464E+02 0.82689E-02 -0.47156E-02 776 0.111E+00 0.310E-01
DAV: 11 -0.913498508759E+02 -0.47778E-02 -0.14838E-02 608 0.638E-01 0.151E-01
DAV: 12 -0.913526942949E+02 -0.28434E-02 -0.29885E-03 626 0.231E-01 0.119E-01
DAV: 13 -0.913566591192E+02 -0.39648E-02 -0.29817E-03 717 0.288E-01 0.592E-02
DAV: 14 -0.913597206761E+02 -0.30616E-02 -0.61671E-04 672 0.129E-01 0.276E-02
DAV: 15 -0.913616724571E+02 -0.19518E-02 -0.20036E-04 664 0.611E-02 0.163E-02
DAV: 16 -0.913625141746E+02 -0.84172E-03 -0.13160E-04 664 0.501E-02 0.174E-02
DAV: 17 -0.913627807373E+02 -0.26656E-03 -0.30721E-05 605 0.322E-02 0.835E-03
DAV: 18 -0.913629298168E+02 -0.14908E-03 -0.21412E-05 512 0.200E-02 0.392E-03
DAV: 19 -0.913629651864E+02 -0.35370E-04 -0.76993E-06 512 0.167E-02 0.293E-03
DAV: 20 -0.913629931106E+02 -0.27924E-04 -0.41904E-06 418 0.901E-03 0.324E-03
DAV: 21 -0.913629970086E+02 -0.38980E-05 -0.10115E-06 504 0.624E-03
1 F= -.91362997E+02 E0= -.91367794E+02 d E =0.143900E-01