iterations/neb0_image04_iter59_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 0.209204404188E+04 0.20920E+04 -0.11612E+05 1704 0.105E+03
DAV: 2 -0.139301619068E+03 -0.22313E+04 -0.21426E+04 2136 0.262E+02
DAV: 3 -0.464973036350E+03 -0.32567E+03 -0.32161E+03 1848 0.107E+02
DAV: 4 -0.477700480425E+03 -0.12727E+02 -0.12678E+02 1976 0.226E+01
DAV: 5 -0.478159036117E+03 -0.45856E+00 -0.45829E+00 2152 0.375E+00 0.430E+01
DAV: 6 -0.448630965449E+03 0.29528E+02 -0.14825E+02 2024 0.322E+01 0.380E+01
DAV: 7 -0.453605680763E+03 -0.49747E+01 -0.24039E+02 1912 0.149E+01 0.207E+01
DAV: 8 -0.447534274167E+03 0.60714E+01 -0.93773E+00 1760 0.848E+00 0.129E+01
DAV: 9 -0.446577409273E+03 0.95686E+00 -0.32630E+01 1976 0.126E+01 0.999E+00
DAV: 10 -0.445832396843E+03 0.74501E+00 -0.42166E+00 1864 0.383E+00 0.975E+00
DAV: 11 -0.444857134400E+03 0.97526E+00 -0.94274E-01 1984 0.253E+00 0.636E+00
DAV: 12 -0.445195783802E+03 -0.33865E+00 -0.10026E+01 2176 0.408E+00 0.833E+00
DAV: 13 -0.444472239292E+03 0.72354E+00 -0.10513E+00 2160 0.329E+00 0.464E+00
DAV: 14 -0.444368927040E+03 0.10331E+00 -0.14931E+00 1880 0.132E+00 0.186E+00
DAV: 15 -0.444394720311E+03 -0.25793E-01 -0.11690E-01 1896 0.850E-01 0.275E+00
DAV: 16 -0.444343640302E+03 0.51080E-01 -0.12913E-01 2024 0.590E-01 0.670E-01
DAV: 17 -0.444360066994E+03 -0.16427E-01 -0.34804E-02 1976 0.327E-01 0.651E-01
DAV: 18 -0.444359619114E+03 0.44788E-03 -0.12025E-02 2048 0.175E-01 0.486E-01
DAV: 19 -0.444361977959E+03 -0.23588E-02 -0.54025E-03 2032 0.168E-01 0.452E-01
DAV: 20 -0.444363195446E+03 -0.12175E-02 -0.27258E-03 2016 0.138E-01 0.118E-01
DAV: 21 -0.444366288931E+03 -0.30935E-02 -0.15849E-03 1944 0.829E-02 0.226E-01
DAV: 22 -0.444367790872E+03 -0.15019E-02 -0.17092E-03 1960 0.827E-02 0.182E-01
DAV: 23 -0.444369453225E+03 -0.16624E-02 -0.58855E-04 1856 0.565E-02 0.627E-02
DAV: 24 -0.444371186198E+03 -0.17330E-02 -0.76206E-04 1856 0.550E-02 0.174E-01
DAV: 25 -0.444371398217E+03 -0.21202E-03 -0.18726E-04 1824 0.254E-02 0.659E-02
DAV: 26 -0.444371839735E+03 -0.44152E-03 -0.46891E-05 1584 0.170E-02 0.616E-02
DAV: 27 -0.444372131152E+03 -0.29142E-03 -0.16622E-04 1904 0.276E-02 0.650E-02
DAV: 28 -0.444372154847E+03 -0.23695E-04 -0.28033E-05 1448 0.126E-02 0.374E-02
DAV: 29 -0.444372184014E+03 -0.29167E-04 -0.96624E-06 1056 0.822E-03 0.181E-02
DAV: 30 -0.444372232987E+03 -0.48973E-04 -0.17573E-05 1192 0.957E-03 0.188E-02
DAV: 31 -0.444372257941E+03 -0.24954E-04 -0.62497E-06 1056 0.588E-03 0.373E-03
DAV: 32 -0.444372266359E+03 -0.84186E-05 -0.21094E-06 936 0.363E-03
1 F= -.44437227E+03 E0= -.44436639E+03 d E =-.176289E-01