iterations/neb0_image08_iter55_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 0.210270050084E+04 0.21027E+04 -0.11603E+05 1696 0.105E+03
DAV: 2 -0.142105668798E+03 -0.22448E+04 -0.21544E+04 2176 0.262E+02
DAV: 3 -0.466164178242E+03 -0.32406E+03 -0.32077E+03 1824 0.108E+02
DAV: 4 -0.478929794133E+03 -0.12766E+02 -0.12714E+02 1984 0.227E+01
DAV: 5 -0.479399240983E+03 -0.46945E+00 -0.46922E+00 2120 0.383E+00 0.427E+01
DAV: 6 -0.447630677201E+03 0.31769E+02 -0.14400E+02 1992 0.310E+01 0.271E+01
DAV: 7 -0.448389233146E+03 -0.75856E+00 -0.58959E+01 1856 0.110E+01 0.137E+01
DAV: 8 -0.446895243762E+03 0.14940E+01 -0.85969E+00 2480 0.794E+00 0.998E+00
DAV: 9 -0.446464961110E+03 0.43028E+00 -0.14022E+01 2048 0.450E+00 0.554E+00
DAV: 10 -0.446050535180E+03 0.41443E+00 -0.84619E-01 2200 0.432E+00 0.573E+00
DAV: 11 -0.445822723330E+03 0.22781E+00 -0.34638E+00 1912 0.206E+00 0.348E+00
DAV: 12 -0.445796433660E+03 0.26290E-01 -0.13208E+00 1912 0.109E+00 0.244E+00
DAV: 13 -0.445800687829E+03 -0.42542E-02 -0.73745E-01 2000 0.693E-01 0.243E+00
DAV: 14 -0.445770815303E+03 0.29873E-01 -0.27427E-01 1936 0.567E-01 0.575E-01
DAV: 15 -0.445776840363E+03 -0.60251E-02 -0.14633E-02 1960 0.264E-01 0.423E-01
DAV: 16 -0.445776856425E+03 -0.16062E-04 -0.39651E-03 1872 0.116E-01 0.228E-01
DAV: 17 -0.445778433870E+03 -0.15774E-02 -0.15985E-03 2032 0.886E-02 0.996E-02
DAV: 18 -0.445781090276E+03 -0.26564E-02 -0.42480E-04 1912 0.605E-02 0.606E-02
DAV: 19 -0.445783563786E+03 -0.24735E-02 -0.60934E-04 1936 0.615E-02 0.233E-01
DAV: 20 -0.445784485657E+03 -0.92187E-03 -0.65279E-04 2056 0.674E-02 0.136E-01
DAV: 21 -0.445785810101E+03 -0.13244E-02 -0.32344E-04 1784 0.388E-02 0.703E-02
DAV: 22 -0.445786251106E+03 -0.44100E-03 -0.14527E-04 1856 0.291E-02 0.276E-02
DAV: 23 -0.445786493545E+03 -0.24244E-03 -0.75114E-05 1760 0.222E-02 0.198E-02
DAV: 24 -0.445786626680E+03 -0.13314E-03 -0.31564E-05 1528 0.156E-02 0.195E-02
DAV: 25 -0.445786686761E+03 -0.60081E-04 -0.11651E-05 1072 0.871E-03 0.145E-02
DAV: 26 -0.445786744346E+03 -0.57585E-04 -0.45845E-06 1080 0.545E-03 0.117E-02
DAV: 27 -0.445786783281E+03 -0.38936E-04 -0.25606E-06 1048 0.415E-03 0.960E-03
DAV: 28 -0.445786802502E+03 -0.19220E-04 -0.17670E-06 952 0.356E-03 0.524E-03
DAV: 29 -0.445786811000E+03 -0.84982E-05 -0.91530E-07 960 0.221E-03
1 F= -.44578681E+03 E0= -.44576088E+03 d E =-.778017E-01