iterations/neb0_image09_iter2_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 0.210207783491E+04 0.21021E+04 -0.11614E+05 1704 0.105E+03
DAV: 2 -0.141407998154E+03 -0.22435E+04 -0.21537E+04 2152 0.262E+02
DAV: 3 -0.466185881869E+03 -0.32478E+03 -0.32143E+03 1840 0.108E+02
DAV: 4 -0.478886548575E+03 -0.12701E+02 -0.12651E+02 1952 0.227E+01
DAV: 5 -0.479348131962E+03 -0.46158E+00 -0.46132E+00 2128 0.379E+00 0.430E+01
DAV: 6 -0.446937999868E+03 0.32410E+02 -0.14349E+02 2016 0.309E+01 0.272E+01
DAV: 7 -0.448356995027E+03 -0.14190E+01 -0.67433E+01 1880 0.112E+01 0.136E+01
DAV: 8 -0.446106827817E+03 0.22502E+01 -0.77557E+00 2512 0.801E+00 0.983E+00
DAV: 9 -0.446506038387E+03 -0.39921E+00 -0.21221E+01 2008 0.465E+00 0.548E+00
DAV: 10 -0.445501760616E+03 0.10043E+01 -0.85846E-01 2168 0.411E+00 0.235E+00
DAV: 11 -0.445533096333E+03 -0.31336E-01 -0.10365E+00 1888 0.150E+00 0.223E+00
DAV: 12 -0.445547584590E+03 -0.14488E-01 -0.10506E+00 1976 0.943E-01 0.293E+00
DAV: 13 -0.445589328311E+03 -0.41744E-01 -0.16615E+00 2376 0.982E-01 0.372E+00
DAV: 14 -0.445494748532E+03 0.94580E-01 -0.33055E-01 2048 0.644E-01 0.669E-01
DAV: 15 -0.445501968151E+03 -0.72196E-02 -0.46990E-02 2008 0.346E-01 0.534E-01
DAV: 16 -0.445503556911E+03 -0.15888E-02 -0.53224E-03 1840 0.163E-01 0.191E-01
DAV: 17 -0.445506100328E+03 -0.25434E-02 -0.18351E-03 2048 0.830E-02 0.418E-01
DAV: 18 -0.445508130899E+03 -0.20306E-02 -0.62693E-03 1928 0.101E-01 0.230E-01
DAV: 19 -0.445509847372E+03 -0.17165E-02 -0.75619E-04 1840 0.666E-02 0.141E-01
DAV: 20 -0.445511701946E+03 -0.18546E-02 -0.82982E-04 1976 0.594E-02 0.351E-02
DAV: 21 -0.445513165395E+03 -0.14634E-02 -0.22012E-04 1784 0.302E-02 0.539E-02
DAV: 22 -0.445513892747E+03 -0.72735E-03 -0.16177E-04 1960 0.272E-02 0.165E-02
DAV: 23 -0.445514117824E+03 -0.22508E-03 -0.50570E-05 1664 0.156E-02 0.275E-02
DAV: 24 -0.445514244082E+03 -0.12626E-03 -0.23311E-05 1192 0.109E-02 0.453E-02
DAV: 25 -0.445514300421E+03 -0.56339E-04 -0.50748E-05 1176 0.122E-02 0.115E-02
DAV: 26 -0.445514391123E+03 -0.90701E-04 -0.15076E-05 1168 0.917E-03 0.556E-03
DAV: 27 -0.445514418588E+03 -0.27465E-04 -0.31886E-06 960 0.465E-03 0.298E-03
DAV: 28 -0.445514431091E+03 -0.12503E-04 -0.14265E-06 936 0.312E-03 0.325E-03
DAV: 29 -0.445514448280E+03 -0.17189E-04 -0.11693E-06 1008 0.242E-03 0.112E-03
DAV: 30 -0.445514458629E+03 -0.10349E-04 -0.65814E-07 960 0.139E-03 0.153E-03
DAV: 31 -0.445514461601E+03 -0.29725E-05 -0.20495E-07 936 0.114E-03
1 F= -.44551446E+03 E0= -.44548987E+03 d E =-.737885E-01