./iterations/neb0_image01_iter7_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 0.365095895441E+03 0.36510E+03 -0.14290E+04 624 0.799E+02
DAV: 2 0.244130120602E+01 -0.36265E+03 -0.35082E+03 847 0.195E+02
DAV: 3 -0.957024268457E+02 -0.98144E+02 -0.97826E+02 680 0.116E+02
DAV: 4 -0.100053147443E+03 -0.43507E+01 -0.43396E+01 696 0.276E+01
DAV: 5 -0.100139373358E+03 -0.86226E-01 -0.86171E-01 728 0.347E+00 0.222E+01
DAV: 6 -0.914694154916E+02 0.86700E+01 -0.31139E+01 688 0.298E+01 0.116E+01
DAV: 7 -0.906483043941E+02 0.82111E+00 -0.18000E+00 720 0.637E+00 0.483E+00
DAV: 8 -0.902675605507E+02 0.38074E+00 -0.57957E-01 712 0.436E+00 0.167E+00
DAV: 9 -0.901843846236E+02 0.83176E-01 -0.13403E-01 728 0.163E+00 0.432E-01
DAV: 10 -0.901790943334E+02 0.52903E-02 -0.44693E-02 712 0.121E+00 0.318E-01
DAV: 11 -0.901827580909E+02 -0.36638E-02 -0.59276E-03 608 0.506E-01 0.138E-01
DAV: 12 -0.901864397979E+02 -0.36817E-02 -0.72217E-03 624 0.448E-01 0.134E-01
DAV: 13 -0.901893755702E+02 -0.29358E-02 -0.20924E-03 840 0.366E-01 0.768E-02
DAV: 14 -0.901919967442E+02 -0.26212E-02 -0.10910E-03 626 0.148E-01 0.594E-02
DAV: 15 -0.901940725589E+02 -0.20758E-02 -0.29711E-04 680 0.950E-02 0.335E-02
DAV: 16 -0.901955653811E+02 -0.14928E-02 -0.48219E-04 652 0.120E-01 0.304E-02
DAV: 17 -0.901960947104E+02 -0.52933E-03 -0.65912E-05 736 0.567E-02 0.187E-02
DAV: 18 -0.901965727356E+02 -0.47803E-03 -0.13044E-04 650 0.580E-02 0.986E-03
DAV: 19 -0.901966317625E+02 -0.59027E-04 -0.71217E-06 504 0.178E-02 0.954E-03
DAV: 20 -0.901967025930E+02 -0.70830E-04 -0.21866E-05 485 0.342E-02 0.470E-03
DAV: 21 -0.901967327628E+02 -0.30170E-04 -0.11385E-05 480 0.202E-02 0.586E-03
DAV: 22 -0.901967502305E+02 -0.17468E-04 -0.38628E-06 436 0.114E-02 0.364E-03
DAV: 23 -0.901967532301E+02 -0.29996E-05 -0.24106E-06 528 0.982E-03
1 F= -.90196753E+02 E0= -.90203824E+02 d E =0.212126E-01