iterations/neb0_image07_iter63_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 0.210080997929E+04 0.21008E+04 -0.11602E+05 1696 0.105E+03
DAV: 2 -0.139678247028E+03 -0.22405E+04 -0.21516E+04 2152 0.262E+02
DAV: 3 -0.464995946857E+03 -0.32532E+03 -0.32093E+03 1864 0.107E+02
DAV: 4 -0.477810099191E+03 -0.12814E+02 -0.12768E+02 1976 0.228E+01
DAV: 5 -0.478269720276E+03 -0.45962E+00 -0.45938E+00 2112 0.377E+00 0.428E+01
DAV: 6 -0.448466687892E+03 0.29803E+02 -0.14718E+02 2032 0.315E+01 0.270E+01
DAV: 7 -0.446017704299E+03 0.24490E+01 -0.24610E+01 1896 0.115E+01 0.124E+01
DAV: 8 -0.446645010546E+03 -0.62731E+00 -0.13324E+01 2128 0.629E+00 0.832E+00
DAV: 9 -0.445633549512E+03 0.10115E+01 -0.55878E+00 2160 0.444E+00 0.627E+00
DAV: 10 -0.446028373801E+03 -0.39482E+00 -0.61592E+00 2448 0.439E+00 0.494E+00
DAV: 11 -0.445588849964E+03 0.43952E+00 -0.39689E-01 1896 0.198E+00 0.393E+00
DAV: 12 -0.445460408358E+03 0.12844E+00 -0.20957E+00 2168 0.180E+00 0.273E+00
DAV: 13 -0.445446487109E+03 0.13921E-01 -0.31582E-01 1872 0.793E-01 0.787E-01
DAV: 14 -0.445456619185E+03 -0.10132E-01 -0.14594E-02 1832 0.310E-01 0.137E+00
DAV: 15 -0.445521215244E+03 -0.64596E-01 -0.21512E-01 1960 0.500E-01 0.376E+00
DAV: 16 -0.445441857576E+03 0.79358E-01 -0.82504E-01 2600 0.759E-01 0.102E+00
DAV: 17 -0.445459464952E+03 -0.17607E-01 -0.15569E-02 1856 0.271E-01 0.911E-01
DAV: 18 -0.445456837947E+03 0.26270E-02 -0.17775E-03 2000 0.102E-01 0.752E-01
DAV: 19 -0.445456319783E+03 0.51816E-03 -0.33326E-04 1816 0.400E-02 0.685E-01
DAV: 20 -0.445455517404E+03 0.80238E-03 -0.66314E-03 2168 0.198E-01 0.145E-01
DAV: 21 -0.445457086499E+03 -0.15691E-02 -0.11037E-03 1904 0.774E-02 0.584E-02
DAV: 22 -0.445459560627E+03 -0.24741E-02 -0.67697E-04 2400 0.774E-02 0.384E-01
DAV: 23 -0.445459892900E+03 -0.33227E-03 -0.32538E-04 1856 0.443E-02 0.250E-01
DAV: 24 -0.445460854697E+03 -0.96180E-03 -0.23919E-04 1840 0.353E-02 0.237E-01
DAV: 25 -0.445461034321E+03 -0.17962E-03 -0.26107E-04 2288 0.527E-02 0.418E-02
DAV: 26 -0.445461258783E+03 -0.22446E-03 -0.98842E-05 1760 0.232E-02 0.280E-02
DAV: 27 -0.445461337249E+03 -0.78467E-04 -0.14930E-05 1120 0.116E-02 0.726E-03
DAV: 28 -0.445461433389E+03 -0.96140E-04 -0.92606E-06 1200 0.840E-03 0.119E-02
DAV: 29 -0.445461476510E+03 -0.43121E-04 -0.58967E-06 1080 0.609E-03 0.410E-03
DAV: 30 -0.445461495157E+03 -0.18647E-04 -0.16351E-06 936 0.392E-03 0.246E-03
DAV: 31 -0.445461510225E+03 -0.15068E-04 -0.20182E-06 984 0.370E-03 0.401E-03
DAV: 32 -0.445461518528E+03 -0.83025E-05 -0.86407E-07 936 0.311E-03
1 F= -.44546152E+03 E0= -.44544626E+03 d E =-.457648E-01