./iterations/neb0_image04_iter40_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 0.423829273789E+04 0.42383E+04 -0.23868E+05 2892 0.117E+03
DAV: 2 -0.426548863111E+03 -0.46648E+04 -0.45686E+04 3348 0.329E+02
DAV: 3 -0.942548014298E+03 -0.51600E+03 -0.51374E+03 3120 0.118E+02
DAV: 4 -0.954949525421E+03 -0.12402E+02 -0.12354E+02 3192 0.197E+01
DAV: 5 -0.955358899250E+03 -0.40937E+00 -0.40882E+00 3210 0.322E+00 0.813E+01
DAV: 6 -0.847084444917E+03 0.10827E+03 -0.47083E+02 3057 0.347E+01 0.376E+01
DAV: 7 -0.846616338936E+03 0.46811E+00 -0.14482E+01 3543 0.611E+00 0.146E+01
DAV: 8 -0.846285714837E+03 0.33062E+00 -0.97344E-01 3165 0.238E+00 0.595E+00
DAV: 9 -0.846241533404E+03 0.44181E-01 -0.41137E-01 3192 0.152E+00 0.858E-01
DAV: 10 -0.846247287928E+03 -0.57545E-02 -0.74547E-02 3120 0.613E-01 0.604E-01
DAV: 11 -0.846246513650E+03 0.77428E-03 -0.65685E-03 3111 0.209E-01 0.350E-01
DAV: 12 -0.846246834480E+03 -0.32083E-03 -0.71952E-03 3066 0.247E-01 0.121E-01
DAV: 13 -0.846249669154E+03 -0.28347E-02 -0.43986E-03 3183 0.215E-01 0.138E-01
DAV: 14 -0.846253546259E+03 -0.38771E-02 -0.31445E-03 3084 0.150E-01 0.989E-02
DAV: 15 -0.846258103366E+03 -0.45571E-02 -0.11642E-03 3120 0.896E-02 0.359E-02
DAV: 16 -0.846260632516E+03 -0.25292E-02 -0.45815E-04 3093 0.527E-02 0.379E-02
DAV: 17 -0.846261778595E+03 -0.11461E-02 -0.25748E-04 3138 0.402E-02 0.267E-02
DAV: 18 -0.846262417905E+03 -0.63931E-03 -0.33243E-05 2526 0.199E-02 0.143E-02
DAV: 19 -0.846263018085E+03 -0.60018E-03 -0.41200E-05 2679 0.222E-02 0.708E-03
DAV: 20 -0.846263115696E+03 -0.97611E-04 -0.31464E-05 2724 0.136E-02 0.668E-03
DAV: 21 -0.846263163738E+03 -0.48042E-04 -0.30471E-06 1986 0.462E-03 0.563E-03
DAV: 22 -0.846263190355E+03 -0.26616E-04 -0.27560E-06 2022 0.382E-03 0.231E-03
DAV: 23 -0.846263198501E+03 -0.81465E-05 -0.14835E-06 1995 0.289E-03
1 F= -.84626320E+03 E0= -.84626706E+03 d E =0.115959E-01