./iterations/neb0_image05_iter157_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 0.366031153155E+03 0.36603E+03 -0.14309E+04 632 0.799E+02
DAV: 2 0.203653902399E+01 -0.36399E+03 -0.35076E+03 861 0.193E+02
DAV: 3 -0.952363971592E+02 -0.97273E+02 -0.96930E+02 664 0.115E+02
DAV: 4 -0.996893786405E+02 -0.44530E+01 -0.44426E+01 712 0.283E+01
DAV: 5 -0.997790548992E+02 -0.89676E-01 -0.89637E-01 728 0.358E+00 0.219E+01
DAV: 6 -0.913916870573E+02 0.83874E+01 -0.30382E+01 672 0.297E+01 0.115E+01
DAV: 7 -0.906174730184E+02 0.77421E+00 -0.17750E+00 728 0.629E+00 0.479E+00
DAV: 8 -0.902456364693E+02 0.37184E+00 -0.54203E-01 720 0.423E+00 0.167E+00
DAV: 9 -0.901558495173E+02 0.89787E-01 -0.12863E-01 720 0.160E+00 0.426E-01
DAV: 10 -0.901473728214E+02 0.84767E-02 -0.44788E-02 712 0.113E+00 0.315E-01
DAV: 11 -0.901511664685E+02 -0.37936E-02 -0.68746E-03 608 0.483E-01 0.125E-01
DAV: 12 -0.901540854720E+02 -0.29190E-02 -0.49348E-03 634 0.389E-01 0.131E-01
DAV: 13 -0.901561080572E+02 -0.20226E-02 -0.14954E-03 842 0.273E-01 0.657E-02
DAV: 14 -0.901598209257E+02 -0.37129E-02 -0.11282E-03 631 0.149E-01 0.434E-02
DAV: 15 -0.901621372676E+02 -0.23163E-02 -0.21623E-04 688 0.737E-02 0.350E-02
DAV: 16 -0.901640043937E+02 -0.18671E-02 -0.38444E-04 695 0.105E-01 0.220E-02
DAV: 17 -0.901645993472E+02 -0.59495E-03 -0.87171E-05 701 0.604E-02 0.221E-02
DAV: 18 -0.901648532356E+02 -0.25389E-03 -0.48211E-05 688 0.400E-02 0.145E-02
DAV: 19 -0.901650282360E+02 -0.17500E-03 -0.22687E-05 466 0.274E-02 0.510E-03
DAV: 20 -0.901651187861E+02 -0.90550E-04 -0.20568E-05 528 0.209E-02 0.390E-03
DAV: 21 -0.901651525094E+02 -0.33723E-04 -0.37105E-06 424 0.106E-02 0.172E-03
DAV: 22 -0.901651679348E+02 -0.15425E-04 -0.28385E-06 463 0.755E-03 0.117E-03
DAV: 23 -0.901651694798E+02 -0.15450E-05 -0.74537E-07 528 0.497E-03
1 F= -.90165169E+02 E0= -.90173552E+02 d E =0.251468E-01