iterations/neb0_image03_iter5_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 0.209802351394E+04 0.20980E+04 -0.11600E+05 1696 0.105E+03
DAV: 2 -0.136715768845E+03 -0.22347E+04 -0.21455E+04 2144 0.262E+02
DAV: 3 -0.463966806668E+03 -0.32725E+03 -0.32316E+03 1864 0.108E+02
DAV: 4 -0.476949826888E+03 -0.12983E+02 -0.12933E+02 1992 0.228E+01
DAV: 5 -0.477414852637E+03 -0.46503E+00 -0.46478E+00 2084 0.378E+00 0.433E+01
DAV: 6 -0.449170463780E+03 0.28244E+02 -0.14667E+02 2016 0.315E+01 0.411E+01
DAV: 7 -0.454233665648E+03 -0.50632E+01 -0.18902E+02 1816 0.154E+01 0.219E+01
DAV: 8 -0.447883643339E+03 0.63500E+01 -0.99622E+00 1872 0.917E+00 0.136E+01
DAV: 9 -0.445259047181E+03 0.26246E+01 -0.17795E+01 2112 0.120E+01 0.121E+01
DAV: 10 -0.444470711819E+03 0.78834E+00 -0.37214E+00 1896 0.368E+00 0.110E+01
DAV: 11 -0.443872038712E+03 0.59867E+00 -0.44710E-01 2080 0.198E+00 0.100E+01
DAV: 12 -0.444896785490E+03 -0.10247E+01 -0.24139E+01 2192 0.423E+00 0.952E+00
DAV: 13 -0.443259914580E+03 0.16369E+01 -0.68091E-01 2000 0.332E+00 0.381E+00
DAV: 14 -0.443252204329E+03 0.77103E-02 -0.71857E-01 1824 0.102E+00 0.187E+00
DAV: 15 -0.443621819872E+03 -0.36962E+00 -0.32078E+00 2000 0.114E+00 0.913E+00
DAV: 16 -0.443160926904E+03 0.46089E+00 -0.36168E-01 2080 0.787E-01 0.280E+00
DAV: 17 -0.443230671868E+03 -0.69745E-01 -0.12660E-01 1992 0.476E-01 0.687E-01
DAV: 18 -0.443283266353E+03 -0.52594E-01 -0.39884E-02 1888 0.274E-01 0.191E+00
DAV: 19 -0.443265071116E+03 0.18195E-01 -0.29914E-02 1896 0.180E-01 0.294E-01
DAV: 20 -0.443278514666E+03 -0.13444E-01 -0.21234E-03 1832 0.111E-01 0.118E-01
DAV: 21 -0.443282213247E+03 -0.36986E-02 -0.43353E-03 2168 0.128E-01 0.660E-01
DAV: 22 -0.443282133688E+03 0.79559E-04 -0.18815E-03 1864 0.825E-02 0.684E-01
DAV: 23 -0.443282623833E+03 -0.49014E-03 -0.50980E-03 1920 0.102E-01 0.273E-01
DAV: 24 -0.443286098564E+03 -0.34747E-02 -0.74885E-04 1840 0.613E-02 0.344E-01
DAV: 25 -0.443285696529E+03 0.40204E-03 -0.15042E-04 1816 0.259E-02 0.238E-01
DAV: 26 -0.443286491628E+03 -0.79510E-03 -0.30855E-04 1904 0.327E-02 0.826E-02
DAV: 27 -0.443287299323E+03 -0.80769E-03 -0.83899E-05 1616 0.183E-02 0.257E-02
DAV: 28 -0.443287531568E+03 -0.23225E-03 -0.23808E-05 1264 0.125E-02 0.130E-02
DAV: 29 -0.443287595031E+03 -0.63463E-04 -0.12001E-05 1016 0.749E-03 0.205E-02
DAV: 30 -0.443287655164E+03 -0.60133E-04 -0.60950E-06 1168 0.542E-03 0.267E-02
DAV: 31 -0.443287697979E+03 -0.42815E-04 -0.17718E-05 1192 0.680E-03 0.285E-02
DAV: 32 -0.443287704097E+03 -0.61180E-05 -0.61478E-06 936 0.431E-03
1 F= -.44328770E+03 E0= -.44327394E+03 d E =-.412943E-01