iterations/neb0_image09_iter11_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 0.209780215280E+04 0.20978E+04 -0.11612E+05 1704 0.105E+03
DAV: 2 -0.142139808358E+03 -0.22399E+04 -0.21505E+04 2152 0.262E+02
DAV: 3 -0.466112399518E+03 -0.32397E+03 -0.32058E+03 1832 0.108E+02
DAV: 4 -0.478977014110E+03 -0.12865E+02 -0.12815E+02 1984 0.228E+01
DAV: 5 -0.479425363941E+03 -0.44835E+00 -0.44813E+00 2144 0.375E+00 0.427E+01
DAV: 6 -0.447321252433E+03 0.32104E+02 -0.14337E+02 2008 0.310E+01 0.270E+01
DAV: 7 -0.448580597541E+03 -0.12593E+01 -0.65416E+01 1888 0.111E+01 0.136E+01
DAV: 8 -0.446574613979E+03 0.20060E+01 -0.77442E+00 2504 0.804E+00 0.999E+00
DAV: 9 -0.446778031098E+03 -0.20342E+00 -0.20245E+01 2048 0.459E+00 0.554E+00
DAV: 10 -0.445866241948E+03 0.91179E+00 -0.92049E-01 2224 0.426E+00 0.321E+00
DAV: 11 -0.445887170475E+03 -0.20929E-01 -0.16766E+00 1896 0.169E+00 0.306E+00
DAV: 12 -0.445860457332E+03 0.26713E-01 -0.13056E+00 1968 0.100E+00 0.261E+00
DAV: 13 -0.445899911602E+03 -0.39454E-01 -0.12947E+00 2192 0.824E-01 0.343E+00
DAV: 14 -0.445821282901E+03 0.78629E-01 -0.41779E-01 2032 0.650E-01 0.329E-01
DAV: 15 -0.445839969710E+03 -0.18687E-01 -0.51202E-02 1976 0.366E-01 0.133E+00
DAV: 16 -0.445830272204E+03 0.96975E-02 -0.21401E-02 1824 0.205E-01 0.362E-01
DAV: 17 -0.445832477243E+03 -0.22050E-02 -0.29523E-03 1936 0.109E-01 0.147E-01
DAV: 18 -0.445835499816E+03 -0.30226E-02 -0.14420E-03 1920 0.748E-02 0.193E-01
DAV: 19 -0.445837365097E+03 -0.18653E-02 -0.50179E-04 1880 0.745E-02 0.151E-01
DAV: 20 -0.445839140072E+03 -0.17750E-02 -0.10690E-03 2112 0.781E-02 0.705E-02
DAV: 21 -0.445840216000E+03 -0.10759E-02 -0.24804E-04 1824 0.371E-02 0.327E-02
DAV: 22 -0.445840941035E+03 -0.72503E-03 -0.16229E-04 1920 0.278E-02 0.409E-02
DAV: 23 -0.445841241655E+03 -0.30062E-03 -0.99866E-05 1608 0.189E-02 0.573E-02
DAV: 24 -0.445841399840E+03 -0.15819E-03 -0.64682E-05 1752 0.208E-02 0.981E-03
DAV: 25 -0.445841495375E+03 -0.95534E-04 -0.14157E-05 1152 0.983E-03 0.152E-02
DAV: 26 -0.445841579034E+03 -0.83660E-04 -0.15449E-05 1216 0.115E-02 0.440E-03
DAV: 27 -0.445841605093E+03 -0.26059E-04 -0.28915E-06 952 0.480E-03 0.508E-03
DAV: 28 -0.445841627484E+03 -0.22391E-04 -0.38300E-06 1008 0.564E-03 0.197E-03
DAV: 29 -0.445841641377E+03 -0.13893E-04 -0.11009E-06 936 0.244E-03 0.375E-03
DAV: 30 -0.445841650185E+03 -0.88084E-05 -0.10459E-06 976 0.297E-03
1 F= -.44584165E+03 E0= -.44581695E+03 d E =-.740979E-01