./iterations/neb0_image03_iter54_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 0.423574266413E+04 0.42357E+04 -0.23867E+05 2892 0.117E+03
DAV: 2 -0.430109846302E+03 -0.46659E+04 -0.45663E+04 3363 0.329E+02
DAV: 3 -0.943045797580E+03 -0.51294E+03 -0.51072E+03 3120 0.117E+02
DAV: 4 -0.955287473055E+03 -0.12242E+02 -0.12197E+02 3192 0.195E+01
DAV: 5 -0.955684443669E+03 -0.39697E+00 -0.39645E+00 3210 0.319E+00 0.813E+01
DAV: 6 -0.847652279803E+03 0.10803E+03 -0.47039E+02 3057 0.347E+01 0.376E+01
DAV: 7 -0.847191860618E+03 0.46042E+00 -0.14457E+01 3534 0.610E+00 0.146E+01
DAV: 8 -0.846858150142E+03 0.33371E+00 -0.96448E-01 3165 0.237E+00 0.593E+00
DAV: 9 -0.846813244239E+03 0.44906E-01 -0.40745E-01 3192 0.152E+00 0.855E-01
DAV: 10 -0.846820144276E+03 -0.69000E-02 -0.74697E-02 3120 0.611E-01 0.603E-01
DAV: 11 -0.846820090714E+03 0.53562E-04 -0.66896E-03 3129 0.207E-01 0.348E-01
DAV: 12 -0.846821497653E+03 -0.14069E-02 -0.70975E-03 3066 0.243E-01 0.120E-01
DAV: 13 -0.846825135298E+03 -0.36376E-02 -0.45461E-03 3255 0.214E-01 0.137E-01
DAV: 14 -0.846829469508E+03 -0.43342E-02 -0.29903E-03 3075 0.144E-01 0.964E-02
DAV: 15 -0.846834129895E+03 -0.46604E-02 -0.10939E-03 3183 0.806E-02 0.339E-02
DAV: 16 -0.846836750695E+03 -0.26208E-02 -0.47570E-04 3084 0.507E-02 0.383E-02
DAV: 17 -0.846837818378E+03 -0.10677E-02 -0.22997E-04 3138 0.382E-02 0.261E-02
DAV: 18 -0.846838470269E+03 -0.65189E-03 -0.32318E-05 2517 0.192E-02 0.144E-02
DAV: 19 -0.846839081584E+03 -0.61132E-03 -0.40995E-05 2661 0.221E-02 0.720E-03
DAV: 20 -0.846839198085E+03 -0.11650E-03 -0.33306E-05 2706 0.147E-02 0.652E-03
DAV: 21 -0.846839241582E+03 -0.43498E-04 -0.34217E-06 2004 0.468E-03 0.576E-03
DAV: 22 -0.846839264006E+03 -0.22424E-04 -0.21556E-06 1986 0.338E-03 0.268E-03
DAV: 23 -0.846839273802E+03 -0.97959E-05 -0.16390E-06 1986 0.309E-03
1 F= -.84683927E+03 E0= -.84684314E+03 d E =0.115959E-01