./iterations/neb0_image06_iter265_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 0.373446468094E+03 0.37345E+03 -0.14313E+04 632 0.799E+02
DAV: 2 0.606035667559E+01 -0.36739E+03 -0.35459E+03 850 0.194E+02
DAV: 3 -0.948768655862E+02 -0.10094E+03 -0.10053E+03 688 0.117E+02
DAV: 4 -0.995897644971E+02 -0.47129E+01 -0.46980E+01 728 0.281E+01
DAV: 5 -0.996879539327E+02 -0.98189E-01 -0.98143E-01 712 0.356E+00 0.223E+01
DAV: 6 -0.912058121590E+02 0.84821E+01 -0.30035E+01 688 0.304E+01 0.117E+01
DAV: 7 -0.904081636842E+02 0.79765E+00 -0.17403E+00 704 0.638E+00 0.479E+00
DAV: 8 -0.900380858217E+02 0.37008E+00 -0.54224E-01 712 0.411E+00 0.170E+00
DAV: 9 -0.899462728343E+02 0.91813E-01 -0.13060E-01 712 0.165E+00 0.433E-01
DAV: 10 -0.899365851911E+02 0.96876E-02 -0.34165E-02 765 0.913E-01 0.290E-01
DAV: 11 -0.899408439846E+02 -0.42588E-02 -0.13624E-02 608 0.682E-01 0.198E-01
DAV: 12 -0.899415563069E+02 -0.71232E-03 -0.38756E-03 725 0.399E-01 0.102E-01
DAV: 13 -0.899463327710E+02 -0.47765E-02 -0.39226E-03 603 0.371E-01 0.968E-02
DAV: 14 -0.899477171955E+02 -0.13844E-02 -0.50721E-04 800 0.181E-01 0.574E-02
DAV: 15 -0.899509614457E+02 -0.32443E-02 -0.12645E-03 619 0.213E-01 0.419E-02
DAV: 16 -0.899528319372E+02 -0.18705E-02 -0.25259E-04 757 0.113E-01 0.225E-02
DAV: 17 -0.899538249111E+02 -0.99297E-03 -0.20244E-04 672 0.722E-02 0.150E-02
DAV: 18 -0.899543379366E+02 -0.51303E-03 -0.55159E-05 583 0.358E-02 0.119E-02
DAV: 19 -0.899544429112E+02 -0.10497E-03 -0.15855E-05 520 0.273E-02 0.573E-03
DAV: 20 -0.899545170101E+02 -0.74099E-04 -0.13900E-05 403 0.214E-02 0.239E-03
DAV: 21 -0.899545513350E+02 -0.34325E-04 -0.52557E-06 463 0.968E-03 0.351E-03
DAV: 22 -0.899545599430E+02 -0.86079E-05 -0.12860E-06 442 0.742E-03
1 F= -.89954560E+02 E0= -.89959028E+02 d E =0.134053E-01