iterations/neb0_image04_iter35_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 0.423909085277E+04 0.42391E+04 -0.23869E+05 2892 0.117E+03
DAV: 2 -0.427442232615E+03 -0.46665E+04 -0.45714E+04 3357 0.329E+02
DAV: 3 -0.942685539931E+03 -0.51524E+03 -0.51299E+03 3120 0.118E+02
DAV: 4 -0.955021021677E+03 -0.12335E+02 -0.12289E+02 3183 0.196E+01
DAV: 5 -0.955427196093E+03 -0.40617E+00 -0.40561E+00 3201 0.321E+00 0.813E+01
DAV: 6 -0.847012871087E+03 0.10841E+03 -0.47103E+02 3057 0.347E+01 0.377E+01
DAV: 7 -0.846517040813E+03 0.49583E+00 -0.14562E+01 3561 0.615E+00 0.146E+01
DAV: 8 -0.846183677033E+03 0.33336E+00 -0.98892E-01 3165 0.240E+00 0.595E+00
DAV: 9 -0.846136364087E+03 0.47313E-01 -0.41673E-01 3192 0.152E+00 0.862E-01
DAV: 10 -0.846141364886E+03 -0.50008E-02 -0.73224E-02 3129 0.609E-01 0.604E-01
DAV: 11 -0.846140256746E+03 0.11081E-02 -0.65937E-03 3111 0.211E-01 0.341E-01
DAV: 12 -0.846140157576E+03 0.99170E-04 -0.68971E-03 3066 0.249E-01 0.119E-01
DAV: 13 -0.846142912287E+03 -0.27547E-02 -0.44878E-03 3192 0.218E-01 0.135E-01
DAV: 14 -0.846146923214E+03 -0.40109E-02 -0.30933E-03 3084 0.148E-01 0.949E-02
DAV: 15 -0.846151619194E+03 -0.46960E-02 -0.12275E-03 3156 0.939E-02 0.367E-02
DAV: 16 -0.846153957892E+03 -0.23387E-02 -0.42217E-04 3102 0.515E-02 0.373E-02
DAV: 17 -0.846155054239E+03 -0.10963E-02 -0.24859E-04 3111 0.383E-02 0.262E-02
DAV: 18 -0.846155733956E+03 -0.67972E-03 -0.31934E-05 2481 0.201E-02 0.133E-02
DAV: 19 -0.846156321721E+03 -0.58777E-03 -0.42019E-05 2715 0.222E-02 0.706E-03
DAV: 20 -0.846156413978E+03 -0.92257E-04 -0.30833E-05 2661 0.135E-02 0.640E-03
DAV: 21 -0.846156462401E+03 -0.48423E-04 -0.31791E-06 1959 0.451E-03 0.546E-03
DAV: 22 -0.846156488998E+03 -0.26597E-04 -0.25240E-06 2004 0.362E-03 0.235E-03
DAV: 23 -0.846156497904E+03 -0.89057E-05 -0.15552E-06 1986 0.300E-03
1 F= -.84615650E+03 E0= -.84616036E+03 d E =0.115959E-01