./iterations/neb0_image03_iter56_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 0.367740551243E+03 0.36774E+03 -0.14319E+04 632 0.799E+02
DAV: 2 0.389244402622E+01 -0.36385E+03 -0.35059E+03 845 0.195E+02
DAV: 3 -0.953379549380E+02 -0.99230E+02 -0.98899E+02 656 0.116E+02
DAV: 4 -0.100052803833E+03 -0.47148E+01 -0.47045E+01 712 0.294E+01
DAV: 5 -0.100145148216E+03 -0.92344E-01 -0.92305E-01 736 0.372E+00 0.222E+01
DAV: 6 -0.915619400212E+02 0.85832E+01 -0.30638E+01 688 0.296E+01 0.116E+01
DAV: 7 -0.907164372675E+02 0.84550E+00 -0.18545E+00 696 0.642E+00 0.484E+00
DAV: 8 -0.903110939039E+02 0.40534E+00 -0.57602E-01 704 0.437E+00 0.165E+00
DAV: 9 -0.902162603918E+02 0.94834E-01 -0.14283E-01 704 0.174E+00 0.436E-01
DAV: 10 -0.902081825785E+02 0.80778E-02 -0.48943E-02 704 0.119E+00 0.331E-01
DAV: 11 -0.902120769110E+02 -0.38943E-02 -0.82276E-03 608 0.532E-01 0.121E-01
DAV: 12 -0.902152005625E+02 -0.31237E-02 -0.52758E-03 639 0.344E-01 0.132E-01
DAV: 13 -0.902182930200E+02 -0.30925E-02 -0.17705E-03 824 0.341E-01 0.734E-02
DAV: 14 -0.902217649769E+02 -0.34720E-02 -0.12147E-03 636 0.163E-01 0.564E-02
DAV: 15 -0.902241585423E+02 -0.23936E-02 -0.32921E-04 720 0.981E-02 0.376E-02
DAV: 16 -0.902258606051E+02 -0.17021E-02 -0.68480E-04 672 0.144E-01 0.374E-02
DAV: 17 -0.902264734565E+02 -0.61285E-03 -0.14627E-04 744 0.777E-02 0.198E-02
DAV: 18 -0.902268467740E+02 -0.37332E-03 -0.11207E-04 642 0.590E-02 0.865E-03
DAV: 19 -0.902269872099E+02 -0.14044E-03 -0.10721E-05 480 0.189E-02 0.711E-03
DAV: 20 -0.902270557751E+02 -0.68565E-04 -0.13246E-05 456 0.216E-02 0.410E-03
DAV: 21 -0.902271025726E+02 -0.46798E-04 -0.83941E-06 445 0.154E-02 0.294E-03
DAV: 22 -0.902271117868E+02 -0.92142E-05 -0.26330E-06 480 0.948E-03
1 F= -.90227112E+02 E0= -.90234987E+02 d E =0.236244E-01