./iterations/neb0_image09_iter34_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 0.423608405283E+04 0.42361E+04 -0.23862E+05 2892 0.117E+03
DAV: 2 -0.426455914581E+03 -0.46625E+04 -0.45621E+04 3357 0.329E+02
DAV: 3 -0.942795345402E+03 -0.51634E+03 -0.51414E+03 3120 0.118E+02
DAV: 4 -0.955179620081E+03 -0.12384E+02 -0.12339E+02 3183 0.197E+01
DAV: 5 -0.955587824217E+03 -0.40820E+00 -0.40767E+00 3192 0.323E+00 0.812E+01
DAV: 6 -0.847646893796E+03 0.10794E+03 -0.47108E+02 3075 0.348E+01 0.376E+01
DAV: 7 -0.847053409075E+03 0.59348E+00 -0.14721E+01 3525 0.633E+00 0.148E+01
DAV: 8 -0.846727612927E+03 0.32580E+00 -0.19988E+00 3183 0.373E+00 0.607E+00
DAV: 9 -0.846639206966E+03 0.88406E-01 -0.72652E-01 3273 0.210E+00 0.157E+00
DAV: 10 -0.846628598605E+03 0.10608E-01 -0.17122E-01 3525 0.126E+00 0.121E+00
DAV: 11 -0.846601739410E+03 0.26859E-01 -0.38440E-02 3426 0.681E-01 0.814E-01
DAV: 12 -0.846580151552E+03 0.21588E-01 -0.36330E-02 4101 0.763E-01 0.652E-01
DAV: 13 -0.846576272299E+03 0.38793E-02 -0.76702E-02 3525 0.725E-01 0.907E-01
DAV: 14 -0.846569497375E+03 0.67749E-02 -0.83519E-02 3453 0.505E-01 0.418E-01
DAV: 15 -0.846566641683E+03 0.28557E-02 -0.35651E-02 3066 0.431E-01 0.416E-01
DAV: 16 -0.846564576034E+03 0.20656E-02 -0.95344E-03 3300 0.208E-01 0.168E-01
DAV: 17 -0.846565644900E+03 -0.10689E-02 -0.42326E-03 3048 0.233E-01 0.237E-01
DAV: 18 -0.846566632977E+03 -0.98808E-03 -0.33231E-03 3129 0.139E-01 0.152E-01
DAV: 19 -0.846569367739E+03 -0.27348E-02 -0.23642E-03 3156 0.125E-01 0.110E-01
DAV: 20 -0.846572409249E+03 -0.30415E-02 -0.13636E-03 3075 0.943E-02 0.126E-01
DAV: 21 -0.846574843407E+03 -0.24342E-02 -0.20051E-03 3840 0.127E-01 0.130E-01
DAV: 22 -0.846575524988E+03 -0.68158E-03 -0.69068E-04 3111 0.565E-02 0.867E-02
DAV: 23 -0.846576389758E+03 -0.86477E-03 -0.27328E-04 3093 0.445E-02 0.341E-02
DAV: 24 -0.846577250331E+03 -0.86057E-03 -0.14114E-04 3084 0.249E-02 0.242E-02
DAV: 25 -0.846577647486E+03 -0.39715E-03 -0.33385E-05 2103 0.166E-02 0.115E-02
DAV: 26 -0.846577973913E+03 -0.32643E-03 -0.49660E-05 2427 0.214E-02 0.109E-02
DAV: 27 -0.846578045775E+03 -0.71862E-04 -0.13968E-05 2013 0.932E-03 0.891E-03
DAV: 28 -0.846578077767E+03 -0.31992E-04 -0.40489E-06 1977 0.503E-03 0.803E-03
DAV: 29 -0.846578123715E+03 -0.45948E-04 -0.53874E-06 1959 0.548E-03 0.420E-03
DAV: 30 -0.846578136497E+03 -0.12782E-04 -0.25801E-06 2004 0.393E-03 0.246E-03
DAV: 31 -0.846578141592E+03 -0.50945E-05 -0.91504E-07 1986 0.225E-03
1 F= -.84657814E+03 E0= -.84662729E+03 d E =0.147444E+00