./iterations/neb0_image05_iter128_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 0.371926321781E+03 0.37193E+03 -0.14303E+04 632 0.799E+02
DAV: 2 0.481454781917E+01 -0.36711E+03 -0.35455E+03 863 0.194E+02
DAV: 3 -0.941399110415E+02 -0.98954E+02 -0.98569E+02 637 0.116E+02
DAV: 4 -0.989666296374E+02 -0.48267E+01 -0.48132E+01 728 0.303E+01
DAV: 5 -0.990683597291E+02 -0.10173E+00 -0.10168E+00 728 0.391E+00 0.220E+01
DAV: 6 -0.906364437919E+02 0.84319E+01 -0.29149E+01 669 0.291E+01 0.113E+01
DAV: 7 -0.897639082676E+02 0.87254E+00 -0.17845E+00 728 0.662E+00 0.470E+00
DAV: 8 -0.893726244087E+02 0.39128E+00 -0.59163E-01 720 0.439E+00 0.161E+00
DAV: 9 -0.892850695837E+02 0.87555E-01 -0.13592E-01 728 0.165E+00 0.443E-01
DAV: 10 -0.892744143803E+02 0.10655E-01 -0.38790E-02 773 0.113E+00 0.328E-01
DAV: 11 -0.892757931586E+02 -0.13788E-02 -0.59835E-03 656 0.424E-01 0.149E-01
DAV: 12 -0.892775478120E+02 -0.17547E-02 -0.32891E-03 644 0.304E-01 0.115E-01
DAV: 13 -0.892819690189E+02 -0.44212E-02 -0.13672E-03 653 0.257E-01 0.773E-02
DAV: 14 -0.892857490770E+02 -0.37801E-02 -0.12425E-03 645 0.167E-01 0.395E-02
DAV: 15 -0.892890523424E+02 -0.33033E-02 -0.48653E-04 669 0.115E-01 0.273E-02
DAV: 16 -0.892903799664E+02 -0.13276E-02 -0.98317E-05 733 0.634E-02 0.124E-02
DAV: 17 -0.892916079010E+02 -0.12279E-02 -0.17804E-04 625 0.545E-02 0.146E-02
DAV: 18 -0.892918041725E+02 -0.19627E-03 -0.25757E-05 608 0.398E-02 0.582E-03
DAV: 19 -0.892920243248E+02 -0.22015E-03 -0.35849E-05 547 0.274E-02 0.786E-03
DAV: 20 -0.892920748578E+02 -0.50533E-04 -0.46808E-06 504 0.186E-02 0.382E-03
DAV: 21 -0.892921139063E+02 -0.39049E-04 -0.14195E-05 417 0.209E-02 0.427E-03
DAV: 22 -0.892921200310E+02 -0.61247E-05 -0.17852E-06 504 0.936E-03
1 F= -.89292120E+02 E0= -.89300566E+02 d E =0.253384E-01