iterations/neb0_image06_iter19_OSZICAR.out output for 745: 733-->741: H2O near HO-Si on SiO2 surface --> H-OSi + OH-Si on SiO2 surface (TSS)
Status: runningN E dE d eps ncg rms rms(c) DAV: 1 0.422869555832E+04 0.42287E+04 -0.23851E+05 2892 0.117E+03 DAV: 2 -0.424746735891E+03 -0.46534E+04 -0.45563E+04 3348 0.329E+02 DAV: 3 -0.940947661349E+03 -0.51620E+03 -0.51386E+03 3120 0.118E+02 DAV: 4 -0.953379001221E+03 -0.12431E+02 -0.12384E+02 3192 0.196E+01 DAV: 5 -0.953789240873E+03 -0.41024E+00 -0.40969E+00 3192 0.322E+00 0.808E+01 DAV: 6 -0.845927309989E+03 0.10786E+03 -0.47069E+02 3057 0.347E+01 0.373E+01 DAV: 7 -0.845504126096E+03 0.42318E+00 -0.14418E+01 3534 0.609E+00 0.146E+01 DAV: 8 -0.845160579773E+03 0.34355E+00 -0.94672E-01 3147 0.231E+00 0.602E+00 DAV: 9 -0.845098335444E+03 0.62244E-01 -0.42480E-01 3183 0.149E+00 0.867E-01 DAV: 10 -0.845094860300E+03 0.34751E-02 -0.68050E-02 3111 0.592E-01 0.581E-01 DAV: 11 -0.845089268584E+03 0.55917E-02 -0.76004E-03 3129 0.233E-01 0.315E-01 DAV: 12 -0.845084247180E+03 0.50214E-02 -0.67223E-03 3093 0.251E-01 0.123E-01 DAV: 13 -0.845083922839E+03 0.32434E-03 -0.47024E-03 3075 0.237E-01 0.140E-01 DAV: 14 -0.845087234786E+03 -0.33119E-02 -0.33352E-03 3084 0.154E-01 0.953E-02 DAV: 15 -0.845091196836E+03 -0.39621E-02 -0.91336E-04 3075 0.831E-02 0.361E-02 DAV: 16 -0.845094491028E+03 -0.32942E-02 -0.62205E-04 3102 0.659E-02 0.347E-02 DAV: 17 -0.845095768188E+03 -0.12772E-02 -0.24271E-04 3120 0.345E-02 0.245E-02 DAV: 18 -0.845096417561E+03 -0.64937E-03 -0.22556E-05 2310 0.141E-02 0.151E-02 DAV: 19 -0.845097145661E+03 -0.72810E-03 -0.52166E-05 2733 0.219E-02 0.623E-03 DAV: 20 -0.845097268911E+03 -0.12325E-03 -0.22703E-05 2220 0.121E-02 0.609E-03 DAV: 21 -0.845097330917E+03 -0.62006E-04 -0.47462E-06 1977 0.528E-03 0.502E-03 DAV: 22 -0.845097362834E+03 -0.31917E-04 -0.31822E-06 1986 0.372E-03 0.243E-03 DAV: 23 -0.845097373216E+03 -0.10382E-04 -0.13460E-06 1986 0.260E-03 0.135E-03 DAV: 24 -0.845097376694E+03 -0.34778E-05 -0.63004E-07 2004 0.176E-03 1 F= -.84509738E+03 E0= -.84510125E+03 d E =0.116147E-01