iterations/neb0_image04_iter62_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 0.209067480699E+04 0.20907E+04 -0.11610E+05 1704 0.105E+03
DAV: 2 -0.140459785165E+03 -0.22311E+04 -0.21433E+04 2144 0.262E+02
DAV: 3 -0.465035614625E+03 -0.32458E+03 -0.32045E+03 1856 0.107E+02
DAV: 4 -0.477666441424E+03 -0.12631E+02 -0.12581E+02 1968 0.225E+01
DAV: 5 -0.478134368691E+03 -0.46793E+00 -0.46768E+00 2136 0.377E+00 0.430E+01
DAV: 6 -0.448663022905E+03 0.29471E+02 -0.14790E+02 2024 0.322E+01 0.375E+01
DAV: 7 -0.453390152306E+03 -0.47271E+01 -0.22537E+02 1904 0.151E+01 0.205E+01
DAV: 8 -0.447291962033E+03 0.60982E+01 -0.91318E+00 1768 0.893E+00 0.129E+01
DAV: 9 -0.446995667731E+03 0.29629E+00 -0.37261E+01 1976 0.129E+01 0.107E+01
DAV: 10 -0.446165267652E+03 0.83040E+00 -0.39871E+00 1840 0.389E+00 0.102E+01
DAV: 11 -0.444860983913E+03 0.13043E+01 -0.15268E+00 2008 0.296E+00 0.614E+00
DAV: 12 -0.444933145121E+03 -0.72161E-01 -0.74747E+00 2176 0.346E+00 0.805E+00
DAV: 13 -0.444575834447E+03 0.35731E+00 -0.28581E+00 1992 0.264E+00 0.501E+00
DAV: 14 -0.444437125334E+03 0.13871E+00 -0.15685E+00 1896 0.133E+00 0.172E+00
DAV: 15 -0.444547806444E+03 -0.11068E+00 -0.43058E-01 1912 0.875E-01 0.529E+00
DAV: 16 -0.444397968806E+03 0.14984E+00 -0.59855E-01 2000 0.692E-01 0.152E+00
DAV: 17 -0.444425088772E+03 -0.27120E-01 -0.26343E-02 1888 0.297E-01 0.718E-01
DAV: 18 -0.444469179702E+03 -0.44091E-01 -0.24596E-01 2328 0.595E-01 0.204E+00
DAV: 19 -0.444430788375E+03 0.38391E-01 -0.11021E-01 1984 0.413E-01 0.787E-01
DAV: 20 -0.444436186936E+03 -0.53986E-02 -0.19453E-02 1968 0.214E-01 0.389E-01
DAV: 21 -0.444440398857E+03 -0.42119E-02 -0.65111E-03 1880 0.137E-01 0.473E-01
DAV: 22 -0.444441851295E+03 -0.14524E-02 -0.12946E-03 1824 0.688E-02 0.390E-01
DAV: 23 -0.444443361872E+03 -0.15106E-02 -0.31571E-03 2008 0.988E-02 0.985E-02
DAV: 24 -0.444445898055E+03 -0.25362E-02 -0.11761E-03 1968 0.679E-02 0.198E-01
DAV: 25 -0.444446367563E+03 -0.46951E-03 -0.33022E-04 1880 0.366E-02 0.163E-01
DAV: 26 -0.444446601311E+03 -0.23375E-03 -0.20276E-04 1888 0.274E-02 0.758E-02
DAV: 27 -0.444446871049E+03 -0.26974E-03 -0.41612E-05 1624 0.164E-02 0.796E-02
DAV: 28 -0.444447099189E+03 -0.22814E-03 -0.11100E-04 1512 0.167E-02 0.128E-02
DAV: 29 -0.444447212600E+03 -0.11341E-03 -0.22987E-05 1424 0.892E-03 0.116E-02
DAV: 30 -0.444447252500E+03 -0.39899E-04 -0.39065E-06 984 0.521E-03 0.101E-02
DAV: 31 -0.444447278058E+03 -0.25558E-04 -0.37059E-06 1112 0.381E-03 0.619E-03
DAV: 32 -0.444447288050E+03 -0.99921E-05 -0.22889E-06 936 0.384E-03
1 F= -.44444729E+03 E0= -.44444026E+03 d E =-.210860E-01