./iterations/neb0_image08_iter25_OSZICAR.out output for 745: 733-->741: H2O near HO-Si on SiO2 surface --> H-OSi + OH-Si on SiO2 surface (TSS)
Status:
running
N E dE d eps ncg rms rms(c)
DAV: 1 0.423472762636E+04 0.42347E+04 -0.23859E+05 2892 0.117E+03
DAV: 2 -0.427844458541E+03 -0.46626E+04 -0.45632E+04 3357 0.329E+02
DAV: 3 -0.942620607093E+03 -0.51478E+03 -0.51254E+03 3120 0.118E+02
DAV: 4 -0.954920113023E+03 -0.12300E+02 -0.12254E+02 3192 0.196E+01
DAV: 5 -0.955320002343E+03 -0.39989E+00 -0.39937E+00 3192 0.319E+00 0.811E+01
DAV: 6 -0.847298469521E+03 0.10802E+03 -0.47066E+02 3057 0.347E+01 0.376E+01
DAV: 7 -0.846827735277E+03 0.47073E+00 -0.14591E+01 3525 0.609E+00 0.147E+01
DAV: 8 -0.846547840428E+03 0.27989E+00 -0.10355E+00 3876 0.354E+00 0.635E+00
DAV: 9 -0.846404410684E+03 0.14343E+00 -0.88008E-01 3633 0.253E+00 0.195E+00
DAV: 10 -0.846389834684E+03 0.14576E-01 -0.31145E-01 3390 0.183E+00 0.132E+00
DAV: 11 -0.846367725023E+03 0.22110E-01 -0.99298E-02 3390 0.904E-01 0.160E+00
DAV: 12 -0.846358356553E+03 0.93685E-02 -0.90623E-02 4191 0.940E-01 0.813E-01
DAV: 13 -0.846341269406E+03 0.17087E-01 -0.18305E-02 3084 0.588E-01 0.856E-01
DAV: 14 -0.846330646639E+03 0.10623E-01 -0.36722E-02 3858 0.537E-01 0.423E-01
DAV: 15 -0.846332224294E+03 -0.15777E-02 -0.23230E-02 3093 0.334E-01 0.705E-01
DAV: 16 -0.846327838966E+03 0.43853E-02 -0.68195E-03 3786 0.245E-01 0.225E-01
DAV: 17 -0.846331474931E+03 -0.36360E-02 -0.18023E-02 3444 0.235E-01 0.571E-01
DAV: 18 -0.846329646630E+03 0.18283E-02 -0.78790E-03 3147 0.215E-01 0.112E-01
DAV: 19 -0.846332767086E+03 -0.31205E-02 -0.21830E-03 3084 0.114E-01 0.923E-02
DAV: 20 -0.846334397599E+03 -0.16305E-02 -0.59623E-04 3084 0.564E-02 0.611E-02
DAV: 21 -0.846338414174E+03 -0.40166E-02 -0.56927E-04 3075 0.592E-02 0.308E-02
DAV: 22 -0.846340088732E+03 -0.16746E-02 -0.27815E-04 3111 0.409E-02 0.244E-02
DAV: 23 -0.846341125950E+03 -0.10372E-02 -0.13365E-04 3093 0.259E-02 0.380E-02
DAV: 24 -0.846341530154E+03 -0.40420E-03 -0.85010E-05 2346 0.240E-02 0.262E-02
DAV: 25 -0.846341778516E+03 -0.24836E-03 -0.32033E-05 2346 0.157E-02 0.105E-02
DAV: 26 -0.846341978049E+03 -0.19953E-03 -0.17749E-05 2022 0.106E-02 0.102E-02
DAV: 27 -0.846342054228E+03 -0.76179E-04 -0.81452E-06 1986 0.705E-03 0.791E-03
DAV: 28 -0.846342090150E+03 -0.35922E-04 -0.47495E-06 1977 0.601E-03 0.251E-03
DAV: 29 -0.846342104286E+03 -0.14136E-04 -0.25872E-06 1986 0.327E-03 0.205E-03
DAV: 30 -0.846342110970E+03 -0.66842E-05 -0.91274E-07 1968 0.252E-03
1 F= -.84634211E+03 E0= -.84638986E+03 d E =0.143259E+00