iterations/neb0_image04_iter39_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 0.423913193799E+04 0.42391E+04 -0.23869E+05 2892 0.117E+03 DAV: 2 -0.426528795887E+03 -0.46657E+04 -0.45696E+04 3348 0.329E+02 DAV: 3 -0.942615033671E+03 -0.51609E+03 -0.51383E+03 3120 0.118E+02 DAV: 4 -0.955012606142E+03 -0.12398E+02 -0.12351E+02 3192 0.197E+01 DAV: 5 -0.955421785296E+03 -0.40918E+00 -0.40863E+00 3210 0.322E+00 0.813E+01 DAV: 6 -0.847093539804E+03 0.10833E+03 -0.47081E+02 3057 0.347E+01 0.377E+01 DAV: 7 -0.846580642990E+03 0.51290E+00 -0.14567E+01 3543 0.619E+00 0.146E+01 DAV: 8 -0.846250161995E+03 0.33048E+00 -0.10317E+00 3165 0.244E+00 0.595E+00 DAV: 9 -0.846202358216E+03 0.47804E-01 -0.41381E-01 3192 0.150E+00 0.864E-01 DAV: 10 -0.846207007185E+03 -0.46490E-02 -0.67868E-02 3147 0.588E-01 0.610E-01 DAV: 11 -0.846206090923E+03 0.91626E-03 -0.66707E-03 3111 0.217E-01 0.332E-01 DAV: 12 -0.846206168609E+03 -0.77686E-04 -0.62934E-03 3084 0.246E-01 0.116E-01 DAV: 13 -0.846209234038E+03 -0.30654E-02 -0.45569E-03 3165 0.221E-01 0.132E-01 DAV: 14 -0.846213548974E+03 -0.43149E-02 -0.29925E-03 3075 0.144E-01 0.903E-02 DAV: 15 -0.846218059930E+03 -0.45110E-02 -0.12431E-03 3165 0.925E-02 0.372E-02 DAV: 16 -0.846220379061E+03 -0.23191E-02 -0.39141E-04 3102 0.531E-02 0.365E-02 DAV: 17 -0.846221416295E+03 -0.10372E-02 -0.28519E-04 3129 0.403E-02 0.291E-02 DAV: 18 -0.846222041084E+03 -0.62479E-03 -0.37002E-05 2706 0.213E-02 0.144E-02 DAV: 19 -0.846222659048E+03 -0.61796E-03 -0.48476E-05 2751 0.241E-02 0.726E-03 DAV: 20 -0.846222756811E+03 -0.97764E-04 -0.36254E-05 2760 0.143E-02 0.820E-03 DAV: 21 -0.846222806965E+03 -0.50153E-04 -0.34539E-06 1977 0.464E-03 0.652E-03 DAV: 22 -0.846222832409E+03 -0.25445E-04 -0.35947E-06 2004 0.401E-03 0.274E-03 DAV: 23 -0.846222844373E+03 -0.11963E-04 -0.13739E-06 1986 0.296E-03 0.129E-03 DAV: 24 -0.846222847054E+03 -0.26813E-05 -0.61728E-07 2004 0.188E-03 1 F= -.84622285E+03 E0= -.84622671E+03 d E =0.115959E-01