iterations/neb0_image09_iter4_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 0.210099478870E+04 0.21010E+04 -0.11614E+05 1704 0.105E+03
DAV: 2 -0.141628346586E+03 -0.22426E+04 -0.21529E+04 2152 0.262E+02
DAV: 3 -0.466166030329E+03 -0.32454E+03 -0.32112E+03 1848 0.108E+02
DAV: 4 -0.478936941015E+03 -0.12771E+02 -0.12721E+02 1960 0.227E+01
DAV: 5 -0.479407613081E+03 -0.47067E+00 -0.47040E+00 2120 0.381E+00 0.429E+01
DAV: 6 -0.447129751923E+03 0.32278E+02 -0.14332E+02 2016 0.309E+01 0.272E+01
DAV: 7 -0.448490016462E+03 -0.13603E+01 -0.66693E+01 1880 0.112E+01 0.136E+01
DAV: 8 -0.446318412024E+03 0.21716E+01 -0.76471E+00 2528 0.799E+00 0.991E+00
DAV: 9 -0.446666342284E+03 -0.34793E+00 -0.21157E+01 2024 0.464E+00 0.552E+00
DAV: 10 -0.445680330313E+03 0.98601E+00 -0.89287E-01 2184 0.411E+00 0.257E+00
DAV: 11 -0.445711112012E+03 -0.30782E-01 -0.12061E+00 1896 0.156E+00 0.252E+00
DAV: 12 -0.445714235098E+03 -0.31231E-02 -0.11787E+00 1960 0.975E-01 0.287E+00
DAV: 13 -0.445745965471E+03 -0.31730E-01 -0.14964E+00 2336 0.920E-01 0.349E+00
DAV: 14 -0.445663670020E+03 0.82295E-01 -0.37912E-01 2080 0.653E-01 0.393E-01
DAV: 15 -0.445674181181E+03 -0.10511E-01 -0.33960E-02 2016 0.339E-01 0.738E-01
DAV: 16 -0.445673292240E+03 0.88894E-03 -0.56775E-03 1816 0.158E-01 0.301E-01
DAV: 17 -0.445675345063E+03 -0.20528E-02 -0.13559E-03 1992 0.838E-02 0.354E-01
DAV: 18 -0.445678016219E+03 -0.26712E-02 -0.68287E-03 2080 0.997E-02 0.323E-01
DAV: 19 -0.445679450980E+03 -0.14348E-02 -0.22007E-03 1856 0.846E-02 0.359E-02
DAV: 20 -0.445681687897E+03 -0.22369E-02 -0.84214E-04 1936 0.648E-02 0.429E-02
DAV: 21 -0.445682760404E+03 -0.10725E-02 -0.27129E-04 1832 0.342E-02 0.609E-02
DAV: 22 -0.445683313526E+03 -0.55312E-03 -0.18171E-04 1944 0.324E-02 0.358E-02
DAV: 23 -0.445683567281E+03 -0.25376E-03 -0.16176E-04 1672 0.220E-02 0.707E-02
DAV: 24 -0.445683683178E+03 -0.11590E-03 -0.92487E-05 1600 0.181E-02 0.906E-03
DAV: 25 -0.445683779749E+03 -0.96571E-04 -0.12565E-05 1088 0.794E-03 0.153E-02
DAV: 26 -0.445683848050E+03 -0.68300E-04 -0.10178E-05 1120 0.750E-03 0.395E-03
DAV: 27 -0.445683880355E+03 -0.32305E-04 -0.30045E-06 992 0.418E-03 0.258E-03
DAV: 28 -0.445683903164E+03 -0.22810E-04 -0.12399E-06 1000 0.293E-03 0.190E-03
DAV: 29 -0.445683915900E+03 -0.12736E-04 -0.15903E-06 944 0.300E-03 0.427E-03
DAV: 30 -0.445683923059E+03 -0.71589E-05 -0.81815E-07 960 0.246E-03
1 F= -.44568392E+03 E0= -.44565949E+03 d E =-.732965E-01