iterations/neb0_image03_iter11_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 0.422683777229E+04 0.42268E+04 -0.23857E+05 2892 0.117E+03 DAV: 2 -0.428353561283E+03 -0.46552E+04 -0.45581E+04 3357 0.329E+02 DAV: 3 -0.942174776886E+03 -0.51382E+03 -0.51157E+03 3120 0.117E+02 DAV: 4 -0.954507511947E+03 -0.12333E+02 -0.12286E+02 3192 0.196E+01 DAV: 5 -0.954914377808E+03 -0.40687E+00 -0.40631E+00 3183 0.321E+00 0.811E+01 DAV: 6 -0.846679297329E+03 0.10824E+03 -0.47205E+02 3066 0.347E+01 0.375E+01 DAV: 7 -0.846216420543E+03 0.46288E+00 -0.14493E+01 3543 0.613E+00 0.146E+01 DAV: 8 -0.845894367901E+03 0.32205E+00 -0.98131E-01 3165 0.237E+00 0.597E+00 DAV: 9 -0.845855916670E+03 0.38451E-01 -0.41902E-01 3192 0.149E+00 0.864E-01 DAV: 10 -0.845862013297E+03 -0.60966E-02 -0.65356E-02 3174 0.571E-01 0.600E-01 DAV: 11 -0.845861757442E+03 0.25586E-03 -0.67550E-03 3120 0.212E-01 0.326E-01 DAV: 12 -0.845862428081E+03 -0.67064E-03 -0.60471E-03 3066 0.230E-01 0.112E-01 DAV: 13 -0.845865006562E+03 -0.25785E-02 -0.40810E-03 3165 0.207E-01 0.128E-01 DAV: 14 -0.845868652246E+03 -0.36457E-02 -0.25477E-03 3066 0.132E-01 0.857E-02 DAV: 15 -0.845873011172E+03 -0.43589E-02 -0.11900E-03 3093 0.865E-02 0.383E-02 DAV: 16 -0.845875040419E+03 -0.20292E-02 -0.37453E-04 3120 0.512E-02 0.352E-02 DAV: 17 -0.845875957957E+03 -0.91754E-03 -0.22465E-04 3111 0.344E-02 0.264E-02 DAV: 18 -0.845876658419E+03 -0.70046E-03 -0.32097E-05 2463 0.199E-02 0.124E-02 DAV: 19 -0.845877182766E+03 -0.52435E-03 -0.41550E-05 2715 0.213E-02 0.638E-03 DAV: 20 -0.845877304917E+03 -0.12215E-03 -0.28885E-05 2607 0.144E-02 0.650E-03 DAV: 21 -0.845877334414E+03 -0.29497E-04 -0.37412E-06 2040 0.419E-03 0.595E-03 DAV: 22 -0.845877351765E+03 -0.17351E-04 -0.13762E-06 1977 0.244E-03 0.338E-03 DAV: 23 -0.845877366754E+03 -0.14988E-04 -0.21205E-06 1995 0.315E-03 0.939E-04 DAV: 24 -0.845877368426E+03 -0.16723E-05 -0.60460E-07 2031 0.159E-03 1 F= -.84587737E+03 E0= -.84588123E+03 d E =0.115959E-01