iterations/neb0_image02_iter37_OSZICAR.out output for 39: 512-->524:: F2 + Si-NH-Si on surface slat V5 (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.209721596676E+04 0.20972E+04 -0.11600E+05 1696 0.105E+03
DAV: 2 -0.139755841040E+03 -0.22370E+04 -0.21496E+04 2152 0.262E+02
DAV: 3 -0.462060614011E+03 -0.32230E+03 -0.31849E+03 1904 0.107E+02
DAV: 4 -0.475718822462E+03 -0.13658E+02 -0.13475E+02 1960 0.227E+01
DAV: 5 -0.476208046167E+03 -0.48922E+00 -0.48886E+00 2120 0.383E+00 0.434E+01
DAV: 6 -0.456568058055E+03 0.19640E+02 -0.19443E+02 2032 0.318E+01 0.409E+01
DAV: 7 -0.452295244284E+03 0.42728E+01 -0.42721E+01 1776 0.142E+01 0.219E+01
DAV: 8 -0.445343197129E+03 0.69520E+01 -0.97720E+00 1824 0.794E+00 0.112E+01
DAV: 9 -0.446271179502E+03 -0.92798E+00 -0.35560E+01 1960 0.807E+00 0.993E+00
DAV: 10 -0.445594123638E+03 0.67706E+00 -0.14342E+00 1856 0.246E+00 0.852E+00
DAV: 11 -0.444272223272E+03 0.13219E+01 -0.23001E+00 2056 0.356E+00 0.227E+00
DAV: 12 -0.445482394338E+03 -0.12102E+01 -0.69080E+00 1888 0.203E+00 0.136E+01
DAV: 13 -0.444154911695E+03 0.13275E+01 -0.36254E-01 2000 0.201E+00 0.152E+00
DAV: 14 -0.444339626608E+03 -0.18471E+00 -0.18417E-01 1912 0.915E-01 0.131E+00
DAV: 15 -0.444336079364E+03 0.35472E-02 -0.94535E-03 1944 0.276E-01 0.907E-01
DAV: 16 -0.444332690021E+03 0.33893E-02 -0.39479E-02 2160 0.305E-01 0.227E-01
DAV: 17 -0.444338990453E+03 -0.63004E-02 -0.50621E-03 1904 0.207E-01 0.253E-01
DAV: 18 -0.444340696782E+03 -0.17063E-02 -0.20163E-03 1888 0.128E-01 0.106E-01
DAV: 19 -0.444342227187E+03 -0.15304E-02 -0.11661E-03 1840 0.749E-02 0.162E-01
DAV: 20 -0.444343298708E+03 -0.10715E-02 -0.18826E-04 2064 0.517E-02 0.182E-01
DAV: 21 -0.444345054123E+03 -0.17554E-02 -0.65874E-04 2160 0.812E-02 0.771E-02
DAV: 22 -0.444345790985E+03 -0.73686E-03 -0.18762E-04 2016 0.353E-02 0.331E-02
DAV: 23 -0.444346296413E+03 -0.50543E-03 -0.12886E-04 1808 0.238E-02 0.494E-02
DAV: 24 -0.444346430830E+03 -0.13442E-03 -0.88253E-06 1280 0.953E-03 0.388E-02
DAV: 25 -0.444346707359E+03 -0.27653E-03 -0.73677E-05 1760 0.200E-02 0.159E-02
DAV: 26 -0.444346753674E+03 -0.46316E-04 -0.72014E-06 1160 0.942E-03 0.200E-02
DAV: 27 -0.444346801552E+03 -0.47877E-04 -0.12628E-05 1216 0.968E-03 0.928E-03
DAV: 28 -0.444346825575E+03 -0.24023E-04 -0.47103E-06 1032 0.588E-03 0.361E-03
DAV: 29 -0.444346844569E+03 -0.18994E-04 -0.15217E-06 992 0.271E-03 0.269E-03
DAV: 30 -0.444346854735E+03 -0.10166E-04 -0.65981E-07 960 0.288E-03 0.134E-03
DAV: 31 -0.444346863434E+03 -0.86990E-05 -0.14892E-06 976 0.292E-03
1 F= -.44434686E+03 E0= -.44434067E+03 d E =-.185940E-01