iterations/neb0_image07_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 0.210170939783E+04 0.21017E+04 -0.11603E+05 1696 0.105E+03
DAV: 2 -0.138480144078E+03 -0.22402E+04 -0.21507E+04 2144 0.262E+02
DAV: 3 -0.464917853911E+03 -0.32644E+03 -0.32195E+03 1864 0.108E+02
DAV: 4 -0.477784364143E+03 -0.12867E+02 -0.12819E+02 1952 0.228E+01
DAV: 5 -0.478262495604E+03 -0.47813E+00 -0.47787E+00 2104 0.385E+00 0.429E+01
DAV: 6 -0.448481250606E+03 0.29781E+02 -0.14711E+02 2048 0.315E+01 0.270E+01
DAV: 7 -0.446006869823E+03 0.24744E+01 -0.24582E+01 1880 0.115E+01 0.124E+01
DAV: 8 -0.446567636063E+03 -0.56077E+00 -0.11976E+01 2112 0.620E+00 0.821E+00
DAV: 9 -0.445725624333E+03 0.84201E+00 -0.63326E+00 2168 0.444E+00 0.729E+00
DAV: 10 -0.446087330374E+03 -0.36171E+00 -0.71831E+00 2448 0.466E+00 0.507E+00
DAV: 11 -0.445677588101E+03 0.40974E+00 -0.42773E-01 1912 0.196E+00 0.446E+00
DAV: 12 -0.445435780850E+03 0.24181E+00 -0.18239E+00 2200 0.185E+00 0.151E+00
DAV: 13 -0.445454966310E+03 -0.19185E-01 -0.11796E-01 1880 0.762E-01 0.830E-01
DAV: 14 -0.445463357004E+03 -0.83907E-02 -0.18778E-02 1904 0.356E-01 0.151E+00
DAV: 15 -0.445464824418E+03 -0.14674E-02 -0.14067E-02 1896 0.300E-01 0.143E+00
DAV: 16 -0.445478461616E+03 -0.13637E-01 -0.68301E-02 2448 0.664E-01 0.161E+00
DAV: 17 -0.445458503426E+03 0.19958E-01 -0.13097E-02 1976 0.339E-01 0.636E-01
DAV: 18 -0.445458513764E+03 -0.10338E-04 -0.55472E-03 1880 0.142E-01 0.401E-01
DAV: 19 -0.445460069707E+03 -0.15559E-02 -0.38828E-04 1960 0.606E-02 0.490E-01
DAV: 20 -0.445461077110E+03 -0.10074E-02 -0.36478E-03 2296 0.153E-01 0.160E-01
DAV: 21 -0.445462714473E+03 -0.16374E-02 -0.11147E-03 1808 0.780E-02 0.288E-01
DAV: 22 -0.445462960302E+03 -0.24583E-03 -0.21240E-04 1992 0.371E-02 0.298E-01
DAV: 23 -0.445463263024E+03 -0.30272E-03 -0.13108E-04 1888 0.367E-02 0.245E-01
DAV: 24 -0.445464563301E+03 -0.13003E-02 -0.51121E-04 2088 0.593E-02 0.401E-02
DAV: 25 -0.445465360963E+03 -0.79766E-03 -0.22950E-04 1872 0.340E-02 0.281E-02
DAV: 26 -0.445465522033E+03 -0.16107E-03 -0.29049E-05 1408 0.147E-02 0.546E-02
DAV: 27 -0.445465649390E+03 -0.12736E-03 -0.58596E-05 1688 0.213E-02 0.156E-02
DAV: 28 -0.445465733350E+03 -0.83960E-04 -0.14333E-05 1216 0.107E-02 0.144E-02
DAV: 29 -0.445465760121E+03 -0.26770E-04 -0.55830E-06 952 0.612E-03 0.853E-03
DAV: 30 -0.445465779955E+03 -0.19834E-04 -0.43115E-06 1016 0.585E-03 0.150E-02
DAV: 31 -0.445465792542E+03 -0.12587E-04 -0.16251E-06 952 0.308E-03 0.889E-03
DAV: 32 -0.445465809013E+03 -0.16472E-04 -0.23915E-06 1056 0.487E-03 0.824E-03
DAV: 33 -0.445465810798E+03 -0.17847E-05 -0.99505E-07 936 0.233E-03
1 F= -.44546581E+03 E0= -.44545047E+03 d E =-.460201E-01