iterations/neb0_image04_iter3_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 0.209456999797E+04 0.20946E+04 -0.11611E+05 1704 0.105E+03
DAV: 2 -0.138984573040E+03 -0.22336E+04 -0.21439E+04 2144 0.262E+02
DAV: 3 -0.464532662254E+03 -0.32555E+03 -0.32186E+03 1896 0.107E+02
DAV: 4 -0.476898463918E+03 -0.12366E+02 -0.12321E+02 1944 0.224E+01
DAV: 5 -0.477374815875E+03 -0.47635E+00 -0.47607E+00 2140 0.381E+00 0.433E+01
DAV: 6 -0.446543790668E+03 0.30831E+02 -0.14711E+02 2040 0.318E+01 0.333E+01
DAV: 7 -0.449772616868E+03 -0.32288E+01 -0.85038E+01 1872 0.156E+01 0.184E+01
DAV: 8 -0.443753843231E+03 0.60188E+01 -0.83602E+00 2040 0.107E+01 0.111E+01
DAV: 9 -0.452157921937E+03 -0.84041E+01 -0.58023E+01 2160 0.142E+01 0.355E+01
DAV: 10 -0.444020823668E+03 0.81371E+01 -0.19516E+01 1776 0.449E+00 0.103E+01
DAV: 11 -0.443957401928E+03 0.63422E-01 -0.78886E+00 2064 0.222E+00 0.134E+01
DAV: 12 -0.443313938478E+03 0.64346E+00 -0.36867E+00 1992 0.124E+00 0.747E+00
DAV: 13 -0.442961087149E+03 0.35285E+00 -0.46016E-01 1976 0.163E+00 0.561E+00
DAV: 14 -0.443290213496E+03 -0.32913E+00 -0.68170E+00 2136 0.307E+00 0.844E+00
DAV: 15 -0.442624733165E+03 0.66548E+00 -0.12770E+00 1864 0.166E+00 0.329E+00
DAV: 16 -0.442677559102E+03 -0.52826E-01 -0.45361E-01 2016 0.957E-01 0.224E+00
DAV: 17 -0.442700773536E+03 -0.23214E-01 -0.88107E-02 1840 0.500E-01 0.299E+00
DAV: 18 -0.442667617217E+03 0.33156E-01 -0.24017E-01 2128 0.353E-01 0.106E+00
DAV: 19 -0.442691984207E+03 -0.24367E-01 -0.23553E-02 1920 0.245E-01 0.223E-01
DAV: 20 -0.442694918056E+03 -0.29338E-02 -0.56887E-03 2128 0.129E-01 0.354E-01
DAV: 21 -0.442696752296E+03 -0.18342E-02 -0.76922E-03 1984 0.116E-01 0.205E-01
DAV: 22 -0.442699301978E+03 -0.25497E-02 -0.67648E-03 1840 0.841E-02 0.273E-01
DAV: 23 -0.442700313695E+03 -0.10117E-02 -0.13084E-03 1864 0.429E-02 0.121E-01
DAV: 24 -0.442702553369E+03 -0.22397E-02 -0.13468E-03 1856 0.367E-02 0.147E-01
DAV: 25 -0.442703392292E+03 -0.83892E-03 -0.32843E-04 1808 0.238E-02 0.448E-02
DAV: 26 -0.442704443717E+03 -0.10514E-02 -0.41650E-04 1728 0.289E-02 0.752E-02
DAV: 27 -0.442704845487E+03 -0.40177E-03 -0.18280E-04 1696 0.181E-02 0.249E-02
DAV: 28 -0.442705038773E+03 -0.19329E-03 -0.23312E-05 1304 0.101E-02 0.191E-02
DAV: 29 -0.442705198347E+03 -0.15957E-03 -0.22755E-05 1256 0.810E-03 0.194E-02
DAV: 30 -0.442705237122E+03 -0.38775E-04 -0.21532E-05 1072 0.495E-03 0.148E-02
DAV: 31 -0.442705261299E+03 -0.24177E-04 -0.29385E-06 928 0.425E-03 0.138E-02
DAV: 32 -0.442705278012E+03 -0.16714E-04 -0.38250E-06 1000 0.300E-03 0.504E-03
DAV: 33 -0.442705286094E+03 -0.80820E-05 -0.13821E-06 912 0.296E-03
1 F= -.44270529E+03 E0= -.44268939E+03 d E =-.476835E-01