./iterations/neb0_image04_iter66_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 0.209058011105E+04 0.20906E+04 -0.11610E+05 1704 0.105E+03
DAV: 2 -0.139856816495E+03 -0.22304E+04 -0.21418E+04 2136 0.262E+02
DAV: 3 -0.465019690587E+03 -0.32516E+03 -0.32099E+03 1864 0.107E+02
DAV: 4 -0.477733648755E+03 -0.12714E+02 -0.12665E+02 1968 0.226E+01
DAV: 5 -0.478191770477E+03 -0.45812E+00 -0.45789E+00 2144 0.374E+00 0.430E+01
DAV: 6 -0.448624734565E+03 0.29567E+02 -0.14779E+02 2024 0.321E+01 0.377E+01
DAV: 7 -0.453532888349E+03 -0.49082E+01 -0.23205E+02 1928 0.149E+01 0.206E+01
DAV: 8 -0.447445491534E+03 0.60874E+01 -0.92510E+00 1776 0.870E+00 0.129E+01
DAV: 9 -0.446644256057E+03 0.80124E+00 -0.32724E+01 1944 0.127E+01 0.105E+01
DAV: 10 -0.445869446114E+03 0.77481E+00 -0.39320E+00 1864 0.382E+00 0.982E+00
DAV: 11 -0.444636534196E+03 0.12329E+01 -0.15055E+00 1952 0.310E+00 0.527E+00
DAV: 12 -0.445400292064E+03 -0.76376E+00 -0.11109E+01 2208 0.365E+00 0.851E+00
DAV: 13 -0.444423872051E+03 0.97642E+00 -0.93053E-01 2192 0.302E+00 0.321E+00
DAV: 14 -0.444513062402E+03 -0.89190E-01 -0.14418E+00 1888 0.125E+00 0.469E+00
DAV: 15 -0.444409393950E+03 0.10367E+00 -0.49300E-01 2048 0.926E-01 0.393E+00
DAV: 16 -0.444367864492E+03 0.41529E-01 -0.15300E-01 2072 0.451E-01 0.102E+00
DAV: 17 -0.444406513407E+03 -0.38649E-01 -0.23577E-02 1896 0.324E-01 0.132E+00
DAV: 18 -0.444405230650E+03 0.12828E-02 -0.23540E-02 1896 0.300E-01 0.450E-01
DAV: 19 -0.444418121099E+03 -0.12890E-01 -0.14051E-02 1976 0.220E-01 0.817E-01
DAV: 20 -0.444414384630E+03 0.37365E-02 -0.23041E-03 1904 0.115E-01 0.562E-01
DAV: 21 -0.444416049659E+03 -0.16650E-02 -0.11524E-02 2056 0.206E-01 0.174E-01
DAV: 22 -0.444419646028E+03 -0.35964E-02 -0.34890E-03 1928 0.114E-01 0.391E-01
DAV: 23 -0.444419170040E+03 0.47599E-03 -0.57923E-04 1880 0.576E-02 0.227E-01
DAV: 24 -0.444420422689E+03 -0.12526E-02 -0.24538E-04 1840 0.371E-02 0.217E-01
DAV: 25 -0.444421307372E+03 -0.88468E-03 -0.82923E-04 2224 0.475E-02 0.927E-02
DAV: 26 -0.444421935026E+03 -0.62765E-03 -0.15383E-04 1792 0.261E-02 0.527E-02
DAV: 27 -0.444422130958E+03 -0.19593E-03 -0.44227E-05 1424 0.134E-02 0.283E-02
DAV: 28 -0.444422268371E+03 -0.13741E-03 -0.52325E-05 1384 0.130E-02 0.445E-02
DAV: 29 -0.444422328459E+03 -0.60088E-04 -0.25075E-05 1304 0.103E-02 0.148E-02
DAV: 30 -0.444422359272E+03 -0.30812E-04 -0.45729E-06 960 0.490E-03 0.130E-02
DAV: 31 -0.444422372340E+03 -0.13068E-04 -0.20613E-06 1032 0.296E-03 0.306E-03
DAV: 32 -0.444422380024E+03 -0.76840E-05 -0.67538E-07 936 0.197E-03
1 F= -.44442238E+03 E0= -.44441437E+03 d E =-.240305E-01