iterations/neb0_image06_iter18_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 0.422779575323E+04 0.42278E+04 -0.23850E+05 2892 0.117E+03 DAV: 2 -0.424578989045E+03 -0.46524E+04 -0.45553E+04 3348 0.329E+02 DAV: 3 -0.940676471288E+03 -0.51610E+03 -0.51375E+03 3120 0.118E+02 DAV: 4 -0.953114242473E+03 -0.12438E+02 -0.12390E+02 3192 0.196E+01 DAV: 5 -0.953524912918E+03 -0.41067E+00 -0.41012E+00 3183 0.322E+00 0.807E+01 DAV: 6 -0.845699997427E+03 0.10782E+03 -0.47078E+02 3057 0.347E+01 0.373E+01 DAV: 7 -0.845278551983E+03 0.42145E+00 -0.14342E+01 3534 0.608E+00 0.146E+01 DAV: 8 -0.844940345725E+03 0.33821E+00 -0.93811E-01 3147 0.230E+00 0.601E+00 DAV: 9 -0.844882792968E+03 0.57553E-01 -0.42280E-01 3174 0.149E+00 0.871E-01 DAV: 10 -0.844880262759E+03 0.25302E-02 -0.66160E-02 3120 0.581E-01 0.580E-01 DAV: 11 -0.844875237974E+03 0.50248E-02 -0.75954E-03 3129 0.229E-01 0.314E-01 DAV: 12 -0.844870828657E+03 0.44093E-02 -0.65441E-03 3111 0.244E-01 0.122E-01 DAV: 13 -0.844870731836E+03 0.96821E-04 -0.44742E-03 3039 0.227E-01 0.138E-01 DAV: 14 -0.844873906479E+03 -0.31746E-02 -0.30659E-03 3084 0.145E-01 0.939E-02 DAV: 15 -0.844877420189E+03 -0.35137E-02 -0.70333E-04 3075 0.721E-02 0.397E-02 DAV: 16 -0.844881147882E+03 -0.37277E-02 -0.77003E-04 3066 0.709E-02 0.359E-02 DAV: 17 -0.844882429895E+03 -0.12820E-02 -0.27129E-04 3129 0.364E-02 0.245E-02 DAV: 18 -0.844883049133E+03 -0.61924E-03 -0.24267E-05 2337 0.138E-02 0.160E-02 DAV: 19 -0.844883759784E+03 -0.71065E-03 -0.47427E-05 2697 0.205E-02 0.650E-03 DAV: 20 -0.844883912086E+03 -0.15230E-03 -0.21820E-05 2121 0.127E-02 0.561E-03 DAV: 21 -0.844883972029E+03 -0.59944E-04 -0.58897E-06 1977 0.580E-03 0.460E-03 DAV: 22 -0.844884003669E+03 -0.31640E-04 -0.33064E-06 1977 0.372E-03 0.234E-03 DAV: 23 -0.844884013978E+03 -0.10309E-04 -0.14139E-06 1986 0.241E-03 0.143E-03 DAV: 24 -0.844884017686E+03 -0.37072E-05 -0.66041E-07 2004 0.180E-03 1 F= -.84488402E+03 E0= -.84488789E+03 d E =0.116182E-01