./iterations/neb0_image07_iter35_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 0.423695945610E+04 0.42370E+04 -0.23861E+05 2892 0.117E+03
DAV: 2 -0.425103698235E+03 -0.46621E+04 -0.45639E+04 3342 0.329E+02
DAV: 3 -0.942400548025E+03 -0.51730E+03 -0.51502E+03 3120 0.118E+02
DAV: 4 -0.954836150625E+03 -0.12436E+02 -0.12389E+02 3192 0.197E+01
DAV: 5 -0.955239399044E+03 -0.40325E+00 -0.40270E+00 3183 0.320E+00 0.812E+01
DAV: 6 -0.847178943190E+03 0.10806E+03 -0.47042E+02 3057 0.347E+01 0.376E+01
DAV: 7 -0.846718137442E+03 0.46081E+00 -0.14626E+01 3534 0.610E+00 0.146E+01
DAV: 8 -0.846392478096E+03 0.32566E+00 -0.95385E-01 3615 0.306E+00 0.620E+00
DAV: 9 -0.846270604196E+03 0.12187E+00 -0.80231E-01 3561 0.238E+00 0.166E+00
DAV: 10 -0.846297596060E+03 -0.26992E-01 -0.44839E-01 3354 0.169E+00 0.134E+00
DAV: 11 -0.846249289390E+03 0.48307E-01 -0.95068E-02 3507 0.779E-01 0.108E+00
DAV: 12 -0.846239395205E+03 0.98942E-02 -0.48617E-02 3480 0.562E-01 0.801E-01
DAV: 13 -0.846231007714E+03 0.83875E-02 -0.40791E-02 3255 0.509E-01 0.688E-01
DAV: 14 -0.846224060456E+03 0.69473E-02 -0.17827E-02 3525 0.370E-01 0.376E-01
DAV: 15 -0.846221701454E+03 0.23590E-02 -0.10010E-02 3138 0.282E-01 0.305E-01
DAV: 16 -0.846222696809E+03 -0.99535E-03 -0.11289E-02 3705 0.245E-01 0.640E-01
DAV: 17 -0.846219926187E+03 0.27706E-02 -0.93465E-03 4155 0.206E-01 0.255E-01
DAV: 18 -0.846221320579E+03 -0.13944E-02 -0.79865E-03 3111 0.177E-01 0.204E-01
DAV: 19 -0.846223008806E+03 -0.16882E-02 -0.19136E-03 3066 0.101E-01 0.831E-02
DAV: 20 -0.846226104452E+03 -0.30956E-02 -0.78591E-04 3075 0.784E-02 0.694E-02
DAV: 21 -0.846229588267E+03 -0.34838E-02 -0.57397E-04 3084 0.681E-02 0.366E-02
DAV: 22 -0.846231320836E+03 -0.17326E-02 -0.29500E-04 3111 0.396E-02 0.359E-02
DAV: 23 -0.846231859331E+03 -0.53849E-03 -0.72803E-05 2715 0.223E-02 0.194E-02
DAV: 24 -0.846232366343E+03 -0.50701E-03 -0.41658E-05 2499 0.177E-02 0.210E-02
DAV: 25 -0.846232757056E+03 -0.39071E-03 -0.37093E-05 2418 0.148E-02 0.243E-02
DAV: 26 -0.846232831482E+03 -0.74426E-04 -0.17070E-05 1977 0.113E-02 0.138E-02
DAV: 27 -0.846232888663E+03 -0.57182E-04 -0.14163E-05 2004 0.758E-03 0.545E-03
DAV: 28 -0.846232927595E+03 -0.38932E-04 -0.31200E-06 1968 0.453E-03 0.526E-03
DAV: 29 -0.846232943647E+03 -0.16052E-04 -0.19130E-06 1995 0.321E-03 0.450E-03
DAV: 30 -0.846232952470E+03 -0.88235E-05 -0.11424E-06 1950 0.254E-03
1 F= -.84623295E+03 E0= -.84628129E+03 d E =0.145009E+00