iterations/neb0_image04_iter256_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 0.366629459254E+03 0.36663E+03 -0.14299E+04 624 0.799E+02
DAV: 2 0.834525868366E+00 -0.36579E+03 -0.35461E+03 855 0.195E+02
DAV: 3 -0.959567021680E+02 -0.96791E+02 -0.96497E+02 656 0.116E+02
DAV: 4 -0.100313832488E+03 -0.43571E+01 -0.43480E+01 696 0.281E+01
DAV: 5 -0.100400280526E+03 -0.86448E-01 -0.86420E-01 728 0.352E+00 0.223E+01
DAV: 6 -0.916878963807E+02 0.87124E+01 -0.31212E+01 690 0.299E+01 0.117E+01
DAV: 7 -0.908345236816E+02 0.85337E+00 -0.18200E+00 712 0.660E+00 0.485E+00
DAV: 8 -0.904247896604E+02 0.40973E+00 -0.54418E-01 704 0.456E+00 0.180E+00
DAV: 9 -0.903337980785E+02 0.90992E-01 -0.15384E-01 720 0.216E+00 0.590E-01
DAV: 10 -0.903181353097E+02 0.15663E-01 -0.38888E-02 712 0.104E+00 0.356E-01
DAV: 11 -0.903199677240E+02 -0.18324E-02 -0.14299E-02 712 0.612E-01 0.244E-01
DAV: 12 -0.903226917722E+02 -0.27240E-02 -0.30306E-03 688 0.474E-01 0.140E-01
DAV: 13 -0.903260175352E+02 -0.33258E-02 -0.29907E-03 626 0.368E-01 0.116E-01
DAV: 14 -0.903292810001E+02 -0.32635E-02 -0.19722E-03 698 0.293E-01 0.501E-02
DAV: 15 -0.903318910759E+02 -0.26101E-02 -0.72436E-04 664 0.127E-01 0.498E-02
DAV: 16 -0.903339331661E+02 -0.20421E-02 -0.47885E-04 816 0.161E-01 0.276E-02
DAV: 17 -0.903352949801E+02 -0.13618E-02 -0.27050E-04 652 0.794E-02 0.343E-02
DAV: 18 -0.903358411532E+02 -0.54617E-03 -0.86841E-05 800 0.692E-02 0.160E-02
DAV: 19 -0.903361950901E+02 -0.35394E-03 -0.15288E-04 646 0.739E-02 0.175E-02
DAV: 20 -0.903362776583E+02 -0.82568E-04 -0.16229E-05 496 0.352E-02 0.103E-02
DAV: 21 -0.903363329054E+02 -0.55247E-04 -0.37655E-05 623 0.327E-02 0.472E-03
DAV: 22 -0.903363755021E+02 -0.42597E-04 -0.79033E-06 439 0.229E-02 0.262E-03
DAV: 23 -0.903363856283E+02 -0.10126E-04 -0.33598E-06 504 0.901E-03 0.242E-03
DAV: 24 -0.903363885954E+02 -0.29672E-05 -0.76596E-07 426 0.583E-03
1 F= -.90336389E+02 E0= -.90344637E+02 d E =0.247460E-01