iterations/neb0_image06_iter21_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 0.209200104230E+04 0.20920E+04 -0.11609E+05 1704 0.105E+03
DAV: 2 -0.137635521014E+03 -0.22296E+04 -0.21394E+04 2128 0.262E+02
DAV: 3 -0.461929974401E+03 -0.32429E+03 -0.32034E+03 1944 0.107E+02
DAV: 4 -0.475295833505E+03 -0.13366E+02 -0.13243E+02 1944 0.228E+01
DAV: 5 -0.475760901355E+03 -0.46507E+00 -0.46473E+00 2104 0.377E+00 0.429E+01
DAV: 6 -0.450249121534E+03 0.25512E+02 -0.18743E+02 2064 0.325E+01 0.311E+01
DAV: 7 -0.447595108164E+03 0.26540E+01 -0.65079E+01 1968 0.159E+01 0.176E+01
DAV: 8 -0.446140124428E+03 0.14550E+01 -0.16099E+01 2104 0.117E+01 0.100E+01
DAV: 9 -0.445523525541E+03 0.61660E+00 -0.57344E+00 1848 0.552E+00 0.698E+00
DAV: 10 -0.445052862053E+03 0.47066E+00 -0.14186E+00 1912 0.347E+00 0.350E+00
DAV: 11 -0.445254727534E+03 -0.20187E+00 -0.43552E+00 2160 0.304E+00 0.815E+00
DAV: 12 -0.444886271699E+03 0.36846E+00 -0.31505E+00 2016 0.188E+00 0.140E+00
DAV: 13 -0.444934556972E+03 -0.48285E-01 -0.15870E-01 1936 0.873E-01 0.576E-01
DAV: 14 -0.444955324711E+03 -0.20768E-01 -0.33612E-02 2032 0.493E-01 0.132E+00
DAV: 15 -0.444939686432E+03 0.15638E-01 -0.15579E-02 2176 0.423E-01 0.211E-01
DAV: 16 -0.444944420235E+03 -0.47338E-02 -0.82005E-03 1928 0.196E-01 0.266E-01
DAV: 17 -0.444946159429E+03 -0.17392E-02 -0.22093E-03 2232 0.107E-01 0.306E-01
DAV: 18 -0.444946128677E+03 0.30752E-04 -0.25535E-03 2240 0.120E-01 0.635E-02
DAV: 19 -0.444947284699E+03 -0.11560E-02 -0.50888E-04 1896 0.529E-02 0.985E-02
DAV: 20 -0.444948678183E+03 -0.13935E-02 -0.24489E-04 1880 0.406E-02 0.337E-02
DAV: 21 -0.444950178825E+03 -0.15006E-02 -0.36557E-04 1928 0.438E-02 0.417E-02
DAV: 22 -0.444951192447E+03 -0.10136E-02 -0.18304E-04 1760 0.336E-02 0.245E-02
DAV: 23 -0.444951293348E+03 -0.10090E-03 -0.54093E-05 1712 0.147E-02 0.198E-02
DAV: 24 -0.444951372067E+03 -0.78719E-04 -0.74644E-06 1136 0.784E-03 0.265E-02
DAV: 25 -0.444951563177E+03 -0.19111E-03 -0.45231E-05 1656 0.165E-02 0.109E-02
DAV: 26 -0.444951598359E+03 -0.35182E-04 -0.11938E-05 1168 0.839E-03 0.138E-02
DAV: 27 -0.444951620949E+03 -0.22590E-04 -0.85165E-06 1032 0.894E-03 0.492E-03
DAV: 28 -0.444951636547E+03 -0.15598E-04 -0.35535E-06 1016 0.493E-03 0.416E-03
DAV: 29 -0.444951647392E+03 -0.10845E-04 -0.17575E-06 952 0.337E-03 0.223E-03
DAV: 30 -0.444951654851E+03 -0.74585E-05 -0.15687E-06 952 0.315E-03
1 F= -.44495165E+03 E0= -.44494283E+03 d E =-.264890E-01