./iterations/neb0_image09_iter22_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 0.423574122262E+04 0.42357E+04 -0.23862E+05 2892 0.117E+03
DAV: 2 -0.426569287474E+03 -0.46623E+04 -0.45618E+04 3357 0.329E+02
DAV: 3 -0.942761938691E+03 -0.51619E+03 -0.51400E+03 3120 0.118E+02
DAV: 4 -0.955138494062E+03 -0.12377E+02 -0.12331E+02 3183 0.197E+01
DAV: 5 -0.955545992620E+03 -0.40750E+00 -0.40695E+00 3183 0.323E+00 0.812E+01
DAV: 6 -0.847576410076E+03 0.10797E+03 -0.47135E+02 3048 0.347E+01 0.376E+01
DAV: 7 -0.847018001511E+03 0.55841E+00 -0.14706E+01 3525 0.626E+00 0.148E+01
DAV: 8 -0.846683277391E+03 0.33472E+00 -0.18606E+00 3291 0.362E+00 0.612E+00
DAV: 9 -0.846602829095E+03 0.80448E-01 -0.76697E-01 3381 0.223E+00 0.146E+00
DAV: 10 -0.846588883507E+03 0.13946E-01 -0.15113E-01 3381 0.106E+00 0.129E+00
DAV: 11 -0.846567591808E+03 0.21292E-01 -0.33489E-02 3543 0.634E-01 0.901E-01
DAV: 12 -0.846546138024E+03 0.21454E-01 -0.37332E-02 3993 0.940E-01 0.114E+00
DAV: 13 -0.846530918551E+03 0.15219E-01 -0.29879E-02 3552 0.501E-01 0.513E-01
DAV: 14 -0.846528198084E+03 0.27205E-02 -0.21006E-02 3264 0.328E-01 0.319E-01
DAV: 15 -0.846525557986E+03 0.26401E-02 -0.11203E-02 3453 0.383E-01 0.401E-01
DAV: 16 -0.846527372974E+03 -0.18150E-02 -0.46609E-02 3777 0.358E-01 0.435E-01
DAV: 17 -0.846524968041E+03 0.24049E-02 -0.44627E-02 3129 0.502E-01 0.330E-01
DAV: 18 -0.846525310222E+03 -0.34218E-03 -0.64738E-03 3048 0.157E-01 0.229E-01
DAV: 19 -0.846527480162E+03 -0.21699E-02 -0.56800E-03 3273 0.189E-01 0.164E-01
DAV: 20 -0.846529676183E+03 -0.21960E-02 -0.24128E-03 3066 0.151E-01 0.813E-02
DAV: 21 -0.846532614327E+03 -0.29381E-02 -0.18773E-03 3210 0.112E-01 0.980E-02
DAV: 22 -0.846534447890E+03 -0.18336E-02 -0.52029E-04 3093 0.522E-02 0.855E-02
DAV: 23 -0.846535157638E+03 -0.70975E-03 -0.15328E-04 3192 0.343E-02 0.473E-02
DAV: 24 -0.846536033757E+03 -0.87612E-03 -0.10496E-04 2859 0.318E-02 0.183E-02
DAV: 25 -0.846536724986E+03 -0.69123E-03 -0.51738E-05 2886 0.207E-02 0.129E-02
DAV: 26 -0.846537028063E+03 -0.30308E-03 -0.22702E-05 2031 0.152E-02 0.137E-02
DAV: 27 -0.846537174919E+03 -0.14686E-03 -0.12443E-05 1968 0.851E-03 0.969E-03
DAV: 28 -0.846537195009E+03 -0.20091E-04 -0.44060E-06 2013 0.495E-03 0.647E-03
DAV: 29 -0.846537219674E+03 -0.24665E-04 -0.18482E-06 1959 0.345E-03 0.584E-03
DAV: 30 -0.846537242429E+03 -0.22755E-04 -0.31681E-06 1959 0.446E-03 0.184E-03
DAV: 31 -0.846537245854E+03 -0.34251E-05 -0.11146E-06 2013 0.233E-03
1 F= -.84653725E+03 E0= -.84658593E+03 d E =0.146064E+00