./iterations/neb0_image02_iter51_OSZICAR.out output for 745: 733-->741: H2O near HO-Si on SiO2 surface --> H-OSi + OH-Si on SiO2 surface (TSS)
Status:
running
N E dE d eps ncg rms rms(c)
DAV: 1 0.423317624122E+04 0.42332E+04 -0.23865E+05 2892 0.117E+03
DAV: 2 -0.430491181030E+03 -0.46637E+04 -0.45624E+04 3366 0.329E+02
DAV: 3 -0.943330808467E+03 -0.51284E+03 -0.51063E+03 3120 0.117E+02
DAV: 4 -0.955528180677E+03 -0.12197E+02 -0.12152E+02 3183 0.195E+01
DAV: 5 -0.955928711096E+03 -0.40053E+00 -0.39998E+00 3192 0.320E+00 0.812E+01
DAV: 6 -0.847902291492E+03 0.10803E+03 -0.47068E+02 3066 0.347E+01 0.376E+01
DAV: 7 -0.847440968788E+03 0.46132E+00 -0.14408E+01 3534 0.608E+00 0.146E+01
DAV: 8 -0.847108106460E+03 0.33286E+00 -0.95839E-01 3156 0.236E+00 0.593E+00
DAV: 9 -0.847063236900E+03 0.44870E-01 -0.40769E-01 3192 0.151E+00 0.856E-01
DAV: 10 -0.847070449432E+03 -0.72125E-02 -0.72347E-02 3102 0.603E-01 0.593E-01
DAV: 11 -0.847070665993E+03 -0.21656E-03 -0.66523E-03 3120 0.208E-01 0.338E-01
DAV: 12 -0.847072400076E+03 -0.17341E-02 -0.69735E-03 3048 0.240E-01 0.118E-01
DAV: 13 -0.847075971832E+03 -0.35718E-02 -0.43600E-03 3255 0.209E-01 0.135E-01
DAV: 14 -0.847080092065E+03 -0.41202E-02 -0.28592E-03 3102 0.140E-01 0.941E-02
DAV: 15 -0.847084766383E+03 -0.46743E-02 -0.11215E-03 3129 0.823E-02 0.338E-02
DAV: 16 -0.847087196508E+03 -0.24301E-02 -0.43797E-04 3111 0.484E-02 0.368E-02
DAV: 17 -0.847088281956E+03 -0.10854E-02 -0.20543E-04 3084 0.355E-02 0.250E-02
DAV: 18 -0.847088959673E+03 -0.67772E-03 -0.29755E-05 2427 0.190E-02 0.136E-02
DAV: 19 -0.847089519770E+03 -0.56010E-03 -0.39937E-05 2679 0.214E-02 0.692E-03
DAV: 20 -0.847089623658E+03 -0.10389E-03 -0.30226E-05 2634 0.140E-02 0.649E-03
DAV: 21 -0.847089662535E+03 -0.38877E-04 -0.33609E-06 1986 0.449E-03 0.574E-03
DAV: 22 -0.847089682888E+03 -0.20353E-04 -0.20940E-06 1995 0.342E-03 0.266E-03
DAV: 23 -0.847089691199E+03 -0.83114E-05 -0.16789E-06 1986 0.311E-03
1 F= -.84708969E+03 E0= -.84709356E+03 d E =0.115958E-01