iterations/neb0_image03_iter60_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 0.209736301095E+04 0.20974E+04 -0.11599E+05 1696 0.105E+03
DAV: 2 -0.138761896600E+03 -0.22361E+04 -0.21454E+04 2160 0.262E+02
DAV: 3 -0.463660188340E+03 -0.32490E+03 -0.31914E+03 1896 0.108E+02
DAV: 4 -0.476796301604E+03 -0.13136E+02 -0.13089E+02 1960 0.229E+01
DAV: 5 -0.477262264438E+03 -0.46596E+00 -0.46574E+00 2136 0.381E+00 0.432E+01
DAV: 6 -0.453695072643E+03 0.23567E+02 -0.14830E+02 2032 0.319E+01 0.419E+01
DAV: 7 -0.453626397905E+03 0.68675E-01 -0.82904E+01 1808 0.146E+01 0.218E+01
DAV: 8 -0.447042072803E+03 0.65843E+01 -0.98354E+00 1856 0.869E+00 0.136E+01
DAV: 9 -0.447188040483E+03 -0.14597E+00 -0.23721E+01 2024 0.107E+01 0.119E+01
DAV: 10 -0.446361400566E+03 0.82664E+00 -0.33127E+00 1824 0.338E+00 0.109E+01
DAV: 11 -0.445518620963E+03 0.84278E+00 -0.55420E-01 1960 0.199E+00 0.915E+00
DAV: 12 -0.445043847736E+03 0.47477E+00 -0.48551E+00 2072 0.450E+00 0.113E+01
DAV: 13 -0.444492386613E+03 0.55146E+00 -0.11756E+00 1992 0.361E+00 0.562E+00
DAV: 14 -0.444226751779E+03 0.26563E+00 -0.23707E-01 1816 0.109E+00 0.310E+00
DAV: 15 -0.444192740698E+03 0.34011E-01 -0.67922E-01 1904 0.878E-01 0.253E+00
DAV: 16 -0.444224225051E+03 -0.31484E-01 -0.47720E-02 2016 0.756E-01 0.175E+00
DAV: 17 -0.444202881449E+03 0.21344E-01 -0.17207E-02 1808 0.347E-01 0.371E-01
DAV: 18 -0.444214962539E+03 -0.12081E-01 -0.56921E-03 1976 0.173E-01 0.800E-01
DAV: 19 -0.444212658827E+03 0.23037E-02 -0.32621E-03 2024 0.198E-01 0.475E-01
DAV: 20 -0.444214110986E+03 -0.14522E-02 -0.15014E-03 1872 0.841E-02 0.160E-01
DAV: 21 -0.444215457150E+03 -0.13462E-02 -0.26997E-04 1840 0.407E-02 0.837E-02
DAV: 22 -0.444216875239E+03 -0.14181E-02 -0.13372E-04 1848 0.336E-02 0.174E-01
DAV: 23 -0.444218036199E+03 -0.11610E-02 -0.21485E-04 1872 0.378E-02 0.441E-02
DAV: 24 -0.444218787187E+03 -0.75099E-03 -0.11096E-04 1792 0.236E-02 0.194E-02
DAV: 25 -0.444219185444E+03 -0.39826E-03 -0.31305E-05 1408 0.131E-02 0.604E-02
DAV: 26 -0.444219256550E+03 -0.71106E-04 -0.17894E-05 1312 0.147E-02 0.263E-02
DAV: 27 -0.444219352670E+03 -0.96119E-04 -0.25134E-05 1336 0.127E-02 0.263E-02
DAV: 28 -0.444219384107E+03 -0.31438E-04 -0.55780E-06 1128 0.810E-03 0.623E-03
DAV: 29 -0.444219405679E+03 -0.21572E-04 -0.46143E-06 936 0.556E-03 0.600E-03
DAV: 30 -0.444219421959E+03 -0.16279E-04 -0.13293E-06 968 0.283E-03 0.919E-03
DAV: 31 -0.444219427471E+03 -0.55120E-05 -0.66675E-07 936 0.304E-03
1 F= -.44421943E+03 E0= -.44420904E+03 d E =-.311699E-01