./iterations/neb0_image08_iter103_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 0.375858034830E+03 0.37586E+03 -0.14282E+04 624 0.799E+02
DAV: 2 0.352526772714E+01 -0.37233E+03 -0.35927E+03 869 0.196E+02
DAV: 3 -0.967757850624E+02 -0.10030E+03 -0.99961E+02 688 0.117E+02
DAV: 4 -0.101150043226E+03 -0.43743E+01 -0.43642E+01 688 0.275E+01
DAV: 5 -0.101237078011E+03 -0.87035E-01 -0.86997E-01 736 0.347E+00 0.227E+01
DAV: 6 -0.926044595121E+02 0.86326E+01 -0.30777E+01 709 0.302E+01 0.119E+01
DAV: 7 -0.917378773164E+02 0.86658E+00 -0.17021E+00 728 0.615E+00 0.481E+00
DAV: 8 -0.913589432075E+02 0.37893E+00 -0.55673E-01 704 0.402E+00 0.162E+00
DAV: 9 -0.912765410959E+02 0.82402E-01 -0.13052E-01 712 0.157E+00 0.424E-01
DAV: 10 -0.912674450225E+02 0.90961E-02 -0.46399E-02 736 0.113E+00 0.306E-01
DAV: 11 -0.912720028362E+02 -0.45578E-02 -0.13303E-02 624 0.597E-01 0.149E-01
DAV: 12 -0.912749553448E+02 -0.29525E-02 -0.29621E-03 609 0.253E-01 0.118E-01
DAV: 13 -0.912784916775E+02 -0.35363E-02 -0.13717E-03 677 0.211E-01 0.478E-02
DAV: 14 -0.912816759476E+02 -0.31843E-02 -0.74174E-04 672 0.148E-01 0.385E-02
DAV: 15 -0.912834403376E+02 -0.17644E-02 -0.18572E-04 672 0.826E-02 0.418E-02
DAV: 16 -0.912847806620E+02 -0.13403E-02 -0.39760E-04 666 0.101E-01 0.189E-02
DAV: 17 -0.912852026584E+02 -0.42200E-03 -0.70100E-05 712 0.582E-02 0.145E-02
DAV: 18 -0.912854516934E+02 -0.24904E-03 -0.42210E-05 661 0.306E-02 0.120E-02
DAV: 19 -0.912855451005E+02 -0.93407E-04 -0.11056E-05 456 0.197E-02 0.559E-03
DAV: 20 -0.912855798759E+02 -0.34775E-04 -0.11951E-05 472 0.217E-02 0.249E-03
DAV: 21 -0.912856027525E+02 -0.22877E-04 -0.34620E-06 426 0.892E-03 0.264E-03
DAV: 22 -0.912856086020E+02 -0.58495E-05 -0.98118E-07 472 0.576E-03
1 F= -.91285609E+02 E0= -.91290518E+02 d E =0.147296E-01