./iterations/neb0_image01_iter264_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 0.362813007909E+03 0.36281E+03 -0.14331E+04 632 0.799E+02
DAV: 2 0.397648084195E+01 -0.35884E+03 -0.34470E+03 820 0.195E+02
DAV: 3 -0.954721527730E+02 -0.99449E+02 -0.99093E+02 664 0.116E+02
DAV: 4 -0.100236881827E+03 -0.47647E+01 -0.47517E+01 696 0.294E+01
DAV: 5 -0.100329868706E+03 -0.92987E-01 -0.92949E-01 728 0.371E+00 0.222E+01
DAV: 6 -0.917044502675E+02 0.86254E+01 -0.30929E+01 680 0.299E+01 0.117E+01
DAV: 7 -0.908943098159E+02 0.81014E+00 -0.18327E+00 712 0.638E+00 0.484E+00
DAV: 8 -0.905155519263E+02 0.37876E+00 -0.55548E-01 696 0.431E+00 0.168E+00
DAV: 9 -0.904315347331E+02 0.84017E-01 -0.13550E-01 728 0.165E+00 0.426E-01
DAV: 10 -0.904266505001E+02 0.48842E-02 -0.45493E-02 720 0.124E+00 0.316E-01
DAV: 11 -0.904304262914E+02 -0.37758E-02 -0.64614E-03 608 0.489E-01 0.139E-01
DAV: 12 -0.904340213998E+02 -0.35951E-02 -0.71921E-03 634 0.497E-01 0.131E-01
DAV: 13 -0.904366287994E+02 -0.26074E-02 -0.16402E-03 877 0.315E-01 0.747E-02
DAV: 14 -0.904396470955E+02 -0.30183E-02 -0.12963E-03 642 0.170E-01 0.587E-02
DAV: 15 -0.904416111532E+02 -0.19641E-02 -0.37392E-04 680 0.113E-01 0.463E-02
DAV: 16 -0.904430965859E+02 -0.14854E-02 -0.83510E-04 666 0.171E-01 0.356E-02
DAV: 17 -0.904438035804E+02 -0.70699E-03 -0.12515E-04 680 0.804E-02 0.266E-02
DAV: 18 -0.904440583211E+02 -0.25474E-03 -0.11489E-04 664 0.551E-02 0.924E-03
DAV: 19 -0.904442213691E+02 -0.16305E-03 -0.29733E-05 514 0.281E-02 0.567E-03
DAV: 20 -0.904442520720E+02 -0.30703E-04 -0.50754E-06 488 0.160E-02 0.743E-03
DAV: 21 -0.904442817464E+02 -0.29674E-04 -0.48700E-06 417 0.136E-02 0.491E-03
DAV: 22 -0.904442947626E+02 -0.13016E-04 -0.49846E-06 480 0.139E-02 0.203E-03
DAV: 23 -0.904442964555E+02 -0.16930E-05 -0.18496E-06 528 0.797E-03
1 F= -.90444296E+02 E0= -.90449709E+02 d E =0.162372E-01