iterations/neb0_image08_iter25_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 0.374508076420E+03 0.37451E+03 -0.14277E+04 624 0.799E+02
DAV: 2 0.345324525672E+01 -0.37105E+03 -0.35759E+03 869 0.196E+02
DAV: 3 -0.964811228475E+02 -0.99934E+02 -0.99606E+02 672 0.116E+02
DAV: 4 -0.100970295359E+03 -0.44892E+01 -0.44776E+01 696 0.282E+01
DAV: 5 -0.101059005966E+03 -0.88711E-01 -0.88662E-01 736 0.359E+00 0.227E+01
DAV: 6 -0.923767195270E+02 0.86823E+01 -0.30734E+01 688 0.302E+01 0.119E+01
DAV: 7 -0.914984482386E+02 0.87827E+00 -0.17079E+00 720 0.624E+00 0.480E+00
DAV: 8 -0.911177719926E+02 0.38068E+00 -0.56322E-01 712 0.404E+00 0.165E+00
DAV: 9 -0.910320387767E+02 0.85733E-01 -0.13193E-01 712 0.156E+00 0.434E-01
DAV: 10 -0.910217226788E+02 0.10316E-01 -0.40858E-02 720 0.103E+00 0.291E-01
DAV: 11 -0.910263107869E+02 -0.45881E-02 -0.11774E-02 616 0.555E-01 0.155E-01
DAV: 12 -0.910289843014E+02 -0.26735E-02 -0.24493E-03 620 0.248E-01 0.906E-02
DAV: 13 -0.910329539067E+02 -0.39696E-02 -0.13065E-03 652 0.165E-01 0.514E-02
DAV: 14 -0.910365484230E+02 -0.35945E-02 -0.81404E-04 744 0.202E-01 0.391E-02
DAV: 15 -0.910379822877E+02 -0.14339E-02 -0.28917E-04 666 0.106E-01 0.339E-02
DAV: 16 -0.910391089809E+02 -0.11267E-02 -0.19331E-04 749 0.777E-02 0.182E-02
DAV: 17 -0.910399204404E+02 -0.81146E-03 -0.11831E-04 647 0.534E-02 0.133E-02
DAV: 18 -0.910402064490E+02 -0.28601E-03 -0.26195E-05 568 0.251E-02 0.891E-03
DAV: 19 -0.910403479125E+02 -0.14146E-03 -0.25065E-05 510 0.247E-02 0.403E-03
DAV: 20 -0.910403707866E+02 -0.22874E-04 -0.30395E-06 520 0.140E-02 0.135E-03
DAV: 21 -0.910403949812E+02 -0.24195E-04 -0.48561E-06 389 0.104E-02 0.247E-03
DAV: 22 -0.910403995664E+02 -0.45852E-05 -0.79150E-07 480 0.753E-03
1 F= -.91040400E+02 E0= -.91045367E+02 d E =0.149013E-01