./iterations/neb0_image02_iter217_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 0.366849900967E+03 0.36685E+03 -0.14299E+04 624 0.799E+02
DAV: 2 0.204606416827E+01 -0.36480E+03 -0.35274E+03 861 0.196E+02
DAV: 3 -0.956712303232E+02 -0.97717E+02 -0.97385E+02 648 0.116E+02
DAV: 4 -0.100256456897E+03 -0.45852E+01 -0.45749E+01 704 0.291E+01
DAV: 5 -0.100346217654E+03 -0.89761E-01 -0.89723E-01 736 0.366E+00 0.222E+01
DAV: 6 -0.916767444550E+02 0.86695E+01 -0.31009E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.908568785072E+02 0.81987E+00 -0.18390E+00 720 0.637E+00 0.484E+00
DAV: 8 -0.904758514679E+02 0.38103E+00 -0.55159E-01 696 0.430E+00 0.170E+00
DAV: 9 -0.903894250562E+02 0.86426E-01 -0.13749E-01 720 0.168E+00 0.428E-01
DAV: 10 -0.903843234343E+02 0.51016E-02 -0.49192E-02 704 0.127E+00 0.329E-01
DAV: 11 -0.903880378604E+02 -0.37144E-02 -0.80690E-03 616 0.597E-01 0.120E-01
DAV: 12 -0.903910122991E+02 -0.29744E-02 -0.66246E-03 648 0.413E-01 0.134E-01
DAV: 13 -0.903935822035E+02 -0.25699E-02 -0.18804E-03 856 0.337E-01 0.817E-02
DAV: 14 -0.903968223689E+02 -0.32402E-02 -0.13864E-03 629 0.174E-01 0.704E-02
DAV: 15 -0.903986051238E+02 -0.17828E-02 -0.31258E-04 696 0.107E-01 0.522E-02
DAV: 16 -0.904001195527E+02 -0.15144E-02 -0.10899E-03 677 0.193E-01 0.423E-02
DAV: 17 -0.904007564921E+02 -0.63694E-03 -0.15964E-04 760 0.890E-02 0.269E-02
DAV: 18 -0.904010567079E+02 -0.30022E-03 -0.76799E-05 672 0.421E-02 0.116E-02
DAV: 19 -0.904012437471E+02 -0.18704E-03 -0.51021E-05 652 0.377E-02 0.718E-03
DAV: 20 -0.904012738434E+02 -0.30096E-04 -0.50259E-06 504 0.154E-02 0.609E-03
DAV: 21 -0.904013297656E+02 -0.55922E-04 -0.12236E-05 428 0.189E-02 0.352E-03
DAV: 22 -0.904013372052E+02 -0.74396E-05 -0.43344E-06 496 0.125E-02
1 F= -.90401337E+02 E0= -.90407960E+02 d E =0.198698E-01