iterations/neb0_image07_iter20_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 0.423270213496E+04 0.42327E+04 -0.23857E+05 2892 0.117E+03 DAV: 2 -0.425246338636E+03 -0.46579E+04 -0.45606E+04 3348 0.329E+02 DAV: 3 -0.942115617495E+03 -0.51687E+03 -0.51458E+03 3120 0.118E+02 DAV: 4 -0.954534560567E+03 -0.12419E+02 -0.12372E+02 3192 0.196E+01 DAV: 5 -0.954938112738E+03 -0.40355E+00 -0.40299E+00 3183 0.320E+00 0.810E+01 DAV: 6 -0.846912679150E+03 0.10803E+03 -0.47076E+02 3057 0.347E+01 0.374E+01 DAV: 7 -0.846405128369E+03 0.50755E+00 -0.14448E+01 3534 0.610E+00 0.146E+01 DAV: 8 -0.846108185125E+03 0.29694E+00 -0.95270E-01 3336 0.287E+00 0.620E+00 DAV: 9 -0.845987412375E+03 0.12077E+00 -0.78691E-01 3858 0.250E+00 0.129E+00 DAV: 10 -0.845978360700E+03 0.90517E-02 -0.17628E-01 3111 0.862E-01 0.970E-01 DAV: 11 -0.845962986091E+03 0.15375E-01 -0.48147E-02 3111 0.559E-01 0.485E-01 DAV: 12 -0.845954843941E+03 0.81422E-02 -0.11417E-02 3237 0.364E-01 0.380E-01 DAV: 13 -0.845946976762E+03 0.78672E-02 -0.14757E-02 4335 0.470E-01 0.728E-01 DAV: 14 -0.845939952761E+03 0.70240E-02 -0.67073E-03 3102 0.222E-01 0.566E-01 DAV: 15 -0.845944719371E+03 -0.47666E-02 -0.53069E-04 4083 0.306E-01 0.268E-01 DAV: 16 -0.845945842745E+03 -0.11234E-02 -0.27076E-03 3372 0.340E-01 0.218E-01 DAV: 17 -0.845947282420E+03 -0.14397E-02 -0.32501E-03 3147 0.313E-01 0.122E-01 DAV: 18 -0.845952893105E+03 -0.56107E-02 -0.29047E-03 3327 0.408E-01 0.207E-01 DAV: 19 -0.845955320297E+03 -0.24272E-02 -0.47458E-03 3129 0.164E-01 0.126E-01 DAV: 20 -0.845956795889E+03 -0.14756E-02 -0.41239E-04 3120 0.100E-01 0.123E-01 DAV: 21 -0.845958874946E+03 -0.20791E-02 -0.54149E-04 4461 0.180E-01 0.110E-01 DAV: 22 -0.845960453056E+03 -0.15781E-02 -0.54311E-04 3894 0.168E-01 0.126E-01 DAV: 23 -0.845961146170E+03 -0.69311E-03 -0.68428E-04 3237 0.105E-01 0.148E-01 DAV: 24 -0.845961194382E+03 -0.48212E-04 -0.32369E-04 3111 0.332E-02 0.160E-01 DAV: 25 -0.845961187646E+03 0.67356E-05 -0.31438E-06 2022 0.326E-03 1 F= -.84596119E+03 E0= -.84596977E+03 d E =0.257609E-01