./iterations/neb0_image07_iter140_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 0.375887104615E+03 0.37589E+03 -0.14284E+04 624 0.799E+02
DAV: 2 0.400386537532E+01 -0.37188E+03 -0.35972E+03 874 0.196E+02
DAV: 3 -0.964909709897E+02 -0.10049E+03 -0.10016E+03 680 0.117E+02
DAV: 4 -0.101057449120E+03 -0.45665E+01 -0.45530E+01 712 0.284E+01
DAV: 5 -0.101148395942E+03 -0.90947E-01 -0.90906E-01 736 0.360E+00 0.227E+01
DAV: 6 -0.925449554502E+02 0.86034E+01 -0.30655E+01 704 0.301E+01 0.119E+01
DAV: 7 -0.916865204653E+02 0.85843E+00 -0.16774E+00 728 0.614E+00 0.480E+00
DAV: 8 -0.913123913348E+02 0.37413E+00 -0.54046E-01 712 0.397E+00 0.163E+00
DAV: 9 -0.912305904538E+02 0.81801E-01 -0.12824E-01 728 0.154E+00 0.423E-01
DAV: 10 -0.912216259481E+02 0.89645E-02 -0.43444E-02 728 0.108E+00 0.298E-01
DAV: 11 -0.912264409973E+02 -0.48150E-02 -0.13597E-02 605 0.605E-01 0.159E-01
DAV: 12 -0.912291199563E+02 -0.26790E-02 -0.25853E-03 634 0.232E-01 0.117E-01
DAV: 13 -0.912329243316E+02 -0.38044E-02 -0.20631E-03 637 0.252E-01 0.458E-02
DAV: 14 -0.912355774002E+02 -0.26531E-02 -0.39988E-04 680 0.113E-01 0.304E-02
DAV: 15 -0.912379986484E+02 -0.24212E-02 -0.24266E-04 645 0.671E-02 0.292E-02
DAV: 16 -0.912389614315E+02 -0.96278E-03 -0.19596E-04 688 0.671E-02 0.144E-02
DAV: 17 -0.912394719229E+02 -0.51049E-03 -0.42767E-05 589 0.282E-02 0.109E-02
DAV: 18 -0.912396603202E+02 -0.18840E-03 -0.20472E-05 544 0.187E-02 0.439E-03
DAV: 19 -0.912397257305E+02 -0.65410E-04 -0.10015E-05 448 0.151E-02 0.260E-03
DAV: 20 -0.912397480265E+02 -0.22296E-04 -0.30162E-06 431 0.764E-03 0.218E-03
DAV: 21 -0.912397523440E+02 -0.43175E-05 -0.10255E-06 504 0.494E-03
1 F= -.91239752E+02 E0= -.91244442E+02 d E =0.140692E-01