iterations/neb0_image02_iter6_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 0.208912255194E+04 0.20891E+04 -0.11607E+05 1704 0.105E+03
DAV: 2 -0.140374858589E+03 -0.22295E+04 -0.21415E+04 2144 0.261E+02
DAV: 3 -0.462535805734E+03 -0.32216E+03 -0.31709E+03 1912 0.107E+02
DAV: 4 -0.475972758638E+03 -0.13437E+02 -0.13381E+02 1944 0.229E+01
DAV: 5 -0.476448093572E+03 -0.47533E+00 -0.47502E+00 2128 0.383E+00 0.433E+01
DAV: 6 -0.454482507381E+03 0.21966E+02 -0.14876E+02 2032 0.318E+01 0.409E+01
DAV: 7 -0.452992056729E+03 0.14905E+01 -0.42202E+01 1792 0.141E+01 0.220E+01
DAV: 8 -0.446115163002E+03 0.68769E+01 -0.92891E+00 1872 0.847E+00 0.133E+01
DAV: 9 -0.447512302487E+03 -0.13971E+01 -0.16603E+01 2096 0.111E+01 0.150E+01
DAV: 10 -0.446213186207E+03 0.12991E+01 -0.35349E+00 1872 0.343E+00 0.109E+01
DAV: 11 -0.445988511184E+03 0.22468E+00 -0.18725E-01 1936 0.945E-01 0.102E+01
DAV: 12 -0.445280605454E+03 0.70791E+00 -0.39564E-01 1952 0.143E+00 0.786E+00
DAV: 13 -0.444292102644E+03 0.98850E+00 -0.30296E+00 1848 0.371E+00 0.432E+00
DAV: 14 -0.444247840718E+03 0.44262E-01 -0.76368E-01 1856 0.152E+00 0.325E+00
DAV: 15 -0.444193336893E+03 0.54504E-01 -0.40376E-02 1992 0.448E-01 0.287E+00
DAV: 16 -0.444116663090E+03 0.76674E-01 -0.11311E-02 2248 0.406E-01 0.154E+00
DAV: 17 -0.444090204045E+03 0.26459E-01 -0.12795E-02 2032 0.423E-01 0.108E+00
DAV: 18 -0.444089590869E+03 0.61318E-03 -0.68507E-02 2144 0.838E-01 0.273E+00
DAV: 19 -0.444073091558E+03 0.16499E-01 -0.24583E-02 1888 0.320E-01 0.205E+00
DAV: 20 -0.444068539532E+03 0.45520E-02 -0.10684E-03 2240 0.658E-02 0.172E+00
DAV: 21 -0.444065811045E+03 0.27285E-02 -0.20897E-03 2384 0.162E-01 0.108E+00
DAV: 22 -0.444074062391E+03 -0.82513E-02 -0.30337E-03 1952 0.149E-01 0.833E-01
DAV: 23 -0.444075291699E+03 -0.12293E-02 -0.97192E-04 1976 0.839E-02 0.474E-01
DAV: 24 -0.444078050907E+03 -0.27592E-02 -0.64137E-04 1920 0.621E-02 0.259E-01
DAV: 25 -0.444079020278E+03 -0.96937E-03 -0.22596E-04 2296 0.701E-02 0.582E-02
DAV: 26 -0.444080436580E+03 -0.14163E-02 -0.28173E-04 1824 0.378E-02 0.604E-02
DAV: 27 -0.444080904146E+03 -0.46757E-03 -0.55676E-05 1752 0.207E-02 0.231E-02
DAV: 28 -0.444081254190E+03 -0.35004E-03 -0.77832E-05 1776 0.178E-02 0.429E-02
DAV: 29 -0.444081374939E+03 -0.12075E-03 -0.21151E-05 1440 0.120E-02 0.197E-02
DAV: 30 -0.444081522429E+03 -0.14749E-03 -0.26829E-05 1432 0.131E-02 0.273E-02
DAV: 31 -0.444081546421E+03 -0.23992E-04 -0.79881E-06 1016 0.751E-03 0.444E-02
DAV: 32 -0.444081551702E+03 -0.52814E-05 -0.29600E-06 968 0.462E-03
1 F= -.44408155E+03 E0= -.44407296E+03 d E =-.257812E-01