iterations/neb0_image01_iter18_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 0.364828506228E+03 0.36483E+03 -0.14287E+04 624 0.799E+02
DAV: 2 0.251111756017E+01 -0.36232E+03 -0.35031E+03 847 0.195E+02
DAV: 3 -0.956857925705E+02 -0.98197E+02 -0.97868E+02 685 0.116E+02
DAV: 4 -0.100065356611E+03 -0.43796E+01 -0.43695E+01 696 0.276E+01
DAV: 5 -0.100153017717E+03 -0.87661E-01 -0.87611E-01 728 0.346E+00 0.221E+01
DAV: 6 -0.915609958264E+02 0.85920E+01 -0.31095E+01 696 0.298E+01 0.116E+01
DAV: 7 -0.907596531539E+02 0.80134E+00 -0.18160E+00 712 0.636E+00 0.482E+00
DAV: 8 -0.903812471964E+02 0.37841E+00 -0.56377E-01 720 0.433E+00 0.168E+00
DAV: 9 -0.902967608946E+02 0.84486E-01 -0.13817E-01 728 0.166E+00 0.433E-01
DAV: 10 -0.902910511610E+02 0.57097E-02 -0.41574E-02 712 0.123E+00 0.306E-01
DAV: 11 -0.902947887994E+02 -0.37376E-02 -0.62676E-03 608 0.447E-01 0.159E-01
DAV: 12 -0.902981203077E+02 -0.33315E-02 -0.65715E-03 624 0.501E-01 0.119E-01
DAV: 13 -0.903009913228E+02 -0.28710E-02 -0.10998E-03 720 0.278E-01 0.767E-02
DAV: 14 -0.903039175741E+02 -0.29263E-02 -0.17001E-03 634 0.201E-01 0.555E-02
DAV: 15 -0.903060838408E+02 -0.21663E-02 -0.38466E-04 856 0.140E-01 0.324E-02
DAV: 16 -0.903072273914E+02 -0.11436E-02 -0.34071E-04 677 0.101E-01 0.298E-02
DAV: 17 -0.903081455916E+02 -0.91820E-03 -0.13750E-04 658 0.678E-02 0.224E-02
DAV: 18 -0.903083841304E+02 -0.23854E-03 -0.87160E-05 688 0.548E-02 0.116E-02
DAV: 19 -0.903085783833E+02 -0.19425E-03 -0.30183E-05 492 0.299E-02 0.490E-03
DAV: 20 -0.903086216604E+02 -0.43277E-04 -0.63650E-06 480 0.121E-02 0.532E-03
DAV: 21 -0.903086516756E+02 -0.30015E-04 -0.31947E-06 428 0.915E-03 0.302E-03
DAV: 22 -0.903086655152E+02 -0.13840E-04 -0.38522E-06 466 0.104E-02 0.141E-03
DAV: 23 -0.903086672375E+02 -0.17223E-05 -0.10447E-06 528 0.625E-03
1 F= -.90308667E+02 E0= -.90314118E+02 d E =0.163515E-01