iterations/neb0_image09_iter161_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 0.374048815276E+03 0.37405E+03 -0.14279E+04 624 0.799E+02
DAV: 2 0.328638767299E+01 -0.37076E+03 -0.35796E+03 869 0.196E+02
DAV: 3 -0.964910363192E+02 -0.99777E+02 -0.99446E+02 645 0.117E+02
DAV: 4 -0.101216637286E+03 -0.47256E+01 -0.47145E+01 720 0.295E+01
DAV: 5 -0.101311029584E+03 -0.94392E-01 -0.94351E-01 728 0.377E+00 0.227E+01
DAV: 6 -0.926618398271E+02 0.86492E+01 -0.30919E+01 725 0.301E+01 0.119E+01
DAV: 7 -0.918028696046E+02 0.85897E+00 -0.17227E+00 720 0.614E+00 0.479E+00
DAV: 8 -0.914288817745E+02 0.37399E+00 -0.54093E-01 712 0.394E+00 0.163E+00
DAV: 9 -0.913468705028E+02 0.82011E-01 -0.13169E-01 712 0.156E+00 0.422E-01
DAV: 10 -0.913385128695E+02 0.83576E-02 -0.43245E-02 760 0.109E+00 0.298E-01
DAV: 11 -0.913427954829E+02 -0.42826E-02 -0.11670E-02 616 0.560E-01 0.135E-01
DAV: 12 -0.913459420207E+02 -0.31465E-02 -0.27345E-03 634 0.247E-01 0.101E-01
DAV: 13 -0.913494935686E+02 -0.35515E-02 -0.11132E-03 661 0.174E-01 0.475E-02
DAV: 14 -0.913529726467E+02 -0.34791E-02 -0.82558E-04 656 0.173E-01 0.358E-02
DAV: 15 -0.913541561575E+02 -0.11835E-02 -0.15813E-04 752 0.839E-02 0.341E-02
DAV: 16 -0.913555460808E+02 -0.13899E-02 -0.29632E-04 653 0.911E-02 0.147E-02
DAV: 17 -0.913560523937E+02 -0.50631E-03 -0.64837E-05 688 0.504E-02 0.130E-02
DAV: 18 -0.913562801189E+02 -0.22773E-03 -0.40076E-05 616 0.315E-02 0.876E-03
DAV: 19 -0.913563627115E+02 -0.82593E-04 -0.87811E-06 496 0.156E-02 0.459E-03
DAV: 20 -0.913563990681E+02 -0.36357E-04 -0.64649E-06 440 0.142E-02 0.184E-03
DAV: 21 -0.913564176891E+02 -0.18621E-04 -0.37652E-06 442 0.967E-03 0.208E-03
DAV: 22 -0.913564213443E+02 -0.36552E-05 -0.74232E-07 488 0.391E-03
1 F= -.91356421E+02 E0= -.91361153E+02 d E =0.141961E-01