iterations/neb0_image05_iter298_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 0.368276743759E+03 0.36828E+03 -0.14312E+04 624 0.799E+02
DAV: 2 0.411759711629E+01 -0.36416E+03 -0.35079E+03 845 0.196E+02
DAV: 3 -0.953436003501E+02 -0.99461E+02 -0.99119E+02 648 0.117E+02
DAV: 4 -0.100124310408E+03 -0.47807E+01 -0.47688E+01 704 0.297E+01
DAV: 5 -0.100219614020E+03 -0.95304E-01 -0.95261E-01 736 0.376E+00 0.222E+01
DAV: 6 -0.915592984229E+02 0.86603E+01 -0.31198E+01 696 0.301E+01 0.117E+01
DAV: 7 -0.907413495915E+02 0.81795E+00 -0.17919E+00 720 0.646E+00 0.483E+00
DAV: 8 -0.903604308373E+02 0.38092E+00 -0.52860E-01 712 0.423E+00 0.174E+00
DAV: 9 -0.902706306283E+02 0.89800E-01 -0.14055E-01 712 0.172E+00 0.464E-01
DAV: 10 -0.902628174727E+02 0.78132E-02 -0.26749E-02 728 0.917E-01 0.311E-01
DAV: 11 -0.902645563109E+02 -0.17388E-02 -0.76522E-03 696 0.584E-01 0.194E-01
DAV: 12 -0.902675683511E+02 -0.30120E-02 -0.42743E-03 616 0.463E-01 0.116E-01
DAV: 13 -0.902700212738E+02 -0.24529E-02 -0.16834E-03 620 0.239E-01 0.860E-02
DAV: 14 -0.902740576883E+02 -0.40364E-02 -0.18912E-03 649 0.210E-01 0.457E-02
DAV: 15 -0.902782035804E+02 -0.41459E-02 -0.66547E-04 674 0.149E-01 0.273E-02
DAV: 16 -0.902796798237E+02 -0.14762E-02 -0.23013E-04 704 0.690E-02 0.232E-02
DAV: 17 -0.902802431071E+02 -0.56328E-03 -0.89081E-05 736 0.695E-02 0.109E-02
DAV: 18 -0.902809714846E+02 -0.72838E-03 -0.12940E-04 644 0.519E-02 0.149E-02
DAV: 19 -0.902810615183E+02 -0.90034E-04 -0.98870E-06 528 0.322E-02 0.752E-03
DAV: 20 -0.902811536579E+02 -0.92140E-04 -0.67843E-05 611 0.462E-02 0.121E-02
DAV: 21 -0.902811696259E+02 -0.15968E-04 -0.13316E-05 576 0.331E-02 0.377E-03
DAV: 22 -0.902811771520E+02 -0.75261E-05 -0.59089E-06 445 0.125E-02
1 F= -.90281177E+02 E0= -.90289381E+02 d E =0.246109E-01