./iterations/neb0_image09_iter12_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 0.423493939769E+04 0.42349E+04 -0.23861E+05 2892 0.117E+03
DAV: 2 -0.426693508103E+03 -0.46616E+04 -0.45613E+04 3357 0.329E+02
DAV: 3 -0.942756032873E+03 -0.51606E+03 -0.51384E+03 3120 0.118E+02
DAV: 4 -0.955125883311E+03 -0.12370E+02 -0.12324E+02 3192 0.196E+01
DAV: 5 -0.955533640157E+03 -0.40776E+00 -0.40724E+00 3201 0.323E+00 0.812E+01
DAV: 6 -0.847556022085E+03 0.10798E+03 -0.47121E+02 3093 0.348E+01 0.376E+01
DAV: 7 -0.846915876631E+03 0.64015E+00 -0.14747E+01 3516 0.648E+00 0.148E+01
DAV: 8 -0.846620520204E+03 0.29536E+00 -0.19744E+00 3219 0.346E+00 0.628E+00
DAV: 9 -0.846606285448E+03 0.14235E-01 -0.11955E+00 3903 0.296E+00 0.211E+00
DAV: 10 -0.846528846696E+03 0.77439E-01 -0.29695E-01 3372 0.140E+00 0.134E+00
DAV: 11 -0.846474994816E+03 0.53852E-01 -0.11394E-01 3309 0.130E+00 0.108E+00
DAV: 12 -0.846463164932E+03 0.11830E-01 -0.91763E-02 3444 0.794E-01 0.113E+00
DAV: 13 -0.846467430938E+03 -0.42660E-02 -0.14201E-01 3984 0.758E-01 0.927E-01
DAV: 14 -0.846443362741E+03 0.24068E-01 -0.42021E-02 3192 0.528E-01 0.430E-01
DAV: 15 -0.846444684315E+03 -0.13216E-02 -0.69248E-02 3534 0.494E-01 0.850E-01
DAV: 16 -0.846440044873E+03 0.46394E-02 -0.19658E-02 3318 0.278E-01 0.554E-01
DAV: 17 -0.846437444507E+03 0.26004E-02 -0.10008E-02 3228 0.228E-01 0.391E-01
DAV: 18 -0.846438515663E+03 -0.10712E-02 -0.15677E-02 3489 0.245E-01 0.319E-01
DAV: 19 -0.846438894864E+03 -0.37920E-03 -0.61752E-03 3138 0.137E-01 0.138E-01
DAV: 20 -0.846441272830E+03 -0.23780E-02 -0.15510E-03 3066 0.883E-02 0.100E-01
DAV: 21 -0.846445190902E+03 -0.39181E-02 -0.12591E-03 3075 0.856E-02 0.125E-01
DAV: 22 -0.846447132015E+03 -0.19411E-02 -0.51272E-04 3129 0.538E-02 0.908E-02
DAV: 23 -0.846448621240E+03 -0.14892E-02 -0.67822E-04 3327 0.443E-02 0.432E-02
DAV: 24 -0.846449598256E+03 -0.97702E-03 -0.10210E-04 3066 0.246E-02 0.493E-02
DAV: 25 -0.846450108341E+03 -0.51008E-03 -0.80432E-05 2319 0.175E-02 0.132E-02
DAV: 26 -0.846450554700E+03 -0.44636E-03 -0.33434E-05 2463 0.171E-02 0.116E-02
DAV: 27 -0.846450630496E+03 -0.75796E-04 -0.11635E-05 2004 0.761E-03 0.721E-03
DAV: 28 -0.846450679638E+03 -0.49141E-04 -0.37737E-06 1968 0.416E-03 0.672E-03
DAV: 29 -0.846450728988E+03 -0.49351E-04 -0.54148E-06 1959 0.525E-03 0.409E-03
DAV: 30 -0.846450739047E+03 -0.10059E-04 -0.18301E-06 2004 0.286E-03 0.401E-03
DAV: 31 -0.846450741973E+03 -0.29262E-05 -0.58346E-07 1986 0.159E-03
1 F= -.84645074E+03 E0= -.84649917E+03 d E =0.145295E+00