./iterations/neb0_image06_iter29_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 0.370043386031E+03 0.37004E+03 -0.14285E+04 632 0.799E+02
DAV: 2 0.368545389116E+01 -0.36636E+03 -0.35345E+03 869 0.194E+02
DAV: 3 -0.948715618225E+02 -0.98557E+02 -0.98209E+02 661 0.116E+02
DAV: 4 -0.992613442251E+02 -0.43898E+01 -0.43776E+01 720 0.284E+01
DAV: 5 -0.993495537632E+02 -0.88210E-01 -0.88183E-01 720 0.359E+00 0.221E+01
DAV: 6 -0.907896797731E+02 0.85599E+01 -0.30750E+01 693 0.305E+01 0.115E+01
DAV: 7 -0.899729243661E+02 0.81676E+00 -0.16358E+00 720 0.664E+00 0.475E+00
DAV: 8 -0.896026265020E+02 0.37030E+00 -0.53293E-01 696 0.405E+00 0.170E+00
DAV: 9 -0.895176969997E+02 0.84930E-01 -0.14541E-01 720 0.178E+00 0.491E-01
DAV: 10 -0.895078160440E+02 0.98810E-02 -0.22344E-02 768 0.100E+00 0.297E-01
DAV: 11 -0.895088732149E+02 -0.10572E-02 -0.95591E-03 629 0.479E-01 0.158E-01
DAV: 12 -0.895115647071E+02 -0.26915E-02 -0.28852E-03 612 0.341E-01 0.103E-01
DAV: 13 -0.895159340376E+02 -0.43693E-02 -0.15223E-03 636 0.225E-01 0.896E-02
DAV: 14 -0.895188089390E+02 -0.28749E-02 -0.69610E-04 653 0.133E-01 0.379E-02
DAV: 15 -0.895215682874E+02 -0.27593E-02 -0.67268E-04 706 0.129E-01 0.430E-02
DAV: 16 -0.895231518445E+02 -0.15836E-02 -0.38635E-04 757 0.113E-01 0.175E-02
DAV: 17 -0.895237362018E+02 -0.58436E-03 -0.57184E-05 688 0.417E-02 0.111E-02
DAV: 18 -0.895243274485E+02 -0.59125E-03 -0.72996E-05 571 0.375E-02 0.694E-03
DAV: 19 -0.895244514770E+02 -0.12403E-03 -0.95711E-06 496 0.153E-02 0.456E-03
DAV: 20 -0.895245401655E+02 -0.88689E-04 -0.13888E-05 431 0.194E-02 0.345E-03
DAV: 21 -0.895245607798E+02 -0.20614E-04 -0.40160E-06 496 0.988E-03 0.255E-03
DAV: 22 -0.895245713665E+02 -0.10587E-04 -0.19055E-06 395 0.686E-03 0.109E-03
DAV: 23 -0.895245761163E+02 -0.47498E-05 -0.12457E-06 472 0.539E-03
1 F= -.89524576E+02 E0= -.89535016E+02 d E =0.313192E-01