iterations/neb0_image06_iter1_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 0.211032092128E+04 0.21103E+04 -0.11607E+05 1696 0.105E+03
DAV: 2 -0.134096678034E+03 -0.22444E+04 -0.21503E+04 2144 0.262E+02
DAV: 3 -0.461396752093E+03 -0.32730E+03 -0.32209E+03 1896 0.108E+02
DAV: 4 -0.474566071906E+03 -0.13169E+02 -0.13120E+02 1960 0.229E+01
DAV: 5 -0.475036348023E+03 -0.47028E+00 -0.46999E+00 2104 0.381E+00 0.435E+01
DAV: 6 -0.445745080693E+03 0.29291E+02 -0.15088E+02 2072 0.322E+01 0.278E+01
DAV: 7 -0.442792550663E+03 0.29525E+01 -0.23884E+01 1888 0.120E+01 0.132E+01
DAV: 8 -0.444028988088E+03 -0.12364E+01 -0.27203E+01 2344 0.780E+00 0.112E+01
DAV: 9 -0.442506867797E+03 0.15221E+01 -0.48873E+00 2480 0.726E+00 0.669E+00
DAV: 10 -0.442047280063E+03 0.45959E+00 -0.16492E+00 1984 0.306E+00 0.268E+00
DAV: 11 -0.442018567787E+03 0.28712E-01 -0.25402E-01 1888 0.118E+00 0.181E+00
DAV: 12 -0.442043442489E+03 -0.24875E-01 -0.55018E-01 2168 0.991E-01 0.213E+00
DAV: 13 -0.442014669920E+03 0.28773E-01 -0.20919E-01 1968 0.620E-01 0.653E-01
DAV: 14 -0.442018073110E+03 -0.34032E-02 -0.27244E-02 1864 0.300E-01 0.546E-01
DAV: 15 -0.442015284422E+03 0.27887E-02 -0.61744E-03 1968 0.119E-01 0.656E-01
DAV: 16 -0.442020463746E+03 -0.51793E-02 -0.10384E-02 2400 0.141E-01 0.582E-01
DAV: 17 -0.442022760355E+03 -0.22966E-02 -0.13554E-02 2256 0.173E-01 0.215E-01
DAV: 18 -0.442027427504E+03 -0.46671E-02 -0.36213E-03 1992 0.118E-01 0.235E-01
DAV: 19 -0.442035476928E+03 -0.80494E-02 -0.71695E-03 2096 0.141E-01 0.390E-01
DAV: 20 -0.442036554955E+03 -0.10780E-02 -0.97617E-04 1928 0.532E-02 0.413E-01
DAV: 21 -0.442036807998E+03 -0.25304E-03 -0.59241E-05 1672 0.179E-02 0.417E-01
DAV: 22 -0.442034727470E+03 0.20805E-02 -0.10084E-03 2040 0.663E-02 0.365E-01
DAV: 23 -0.442031977815E+03 0.27497E-02 -0.31602E-03 2152 0.943E-02 0.289E-01
DAV: 24 -0.442028699989E+03 0.32778E-02 -0.85727E-03 2104 0.155E-01 0.526E-01
DAV: 25 -0.442030369357E+03 -0.16694E-02 -0.19007E-03 1864 0.635E-02 0.394E-01
DAV: 26 -0.442032857363E+03 -0.24880E-02 -0.25921E-03 2152 0.835E-02 0.356E-01
DAV: 27 -0.442035179099E+03 -0.23217E-02 -0.14171E-03 1864 0.886E-02 0.291E-01
DAV: 28 -0.442040332641E+03 -0.51535E-02 -0.69394E-03 2176 0.125E-01 0.433E-01
DAV: 29 -0.442045436216E+03 -0.51036E-02 -0.32401E-03 2152 0.988E-02 0.538E-01
DAV: 30 -0.442048748764E+03 -0.33125E-02 -0.10768E-03 1944 0.632E-02 0.603E-01
DAV: 31 -0.442047009191E+03 0.17396E-02 -0.35241E-04 1848 0.298E-02 0.567E-01
DAV: 32 -0.442045982715E+03 0.10265E-02 -0.15459E-04 1744 0.210E-02 0.544E-01
DAV: 33 -0.442043576432E+03 0.24063E-02 -0.51614E-04 2000 0.407E-02 0.489E-01
DAV: 34 -0.442038546207E+03 0.50302E-02 -0.38739E-03 2184 0.108E-01 0.344E-01
DAV: 35 -0.442036470069E+03 0.20761E-02 -0.21327E-03 2040 0.787E-02 0.262E-01
DAV: 36 -0.442035916644E+03 0.55342E-03 -0.35316E-04 1792 0.315E-02 0.239E-01
DAV: 37 -0.442033107652E+03 0.28090E-02 -0.34938E-03 2096 0.890E-02 0.315E-01
DAV: 38 -0.442030086276E+03 0.30214E-02 -0.26402E-03 2120 0.632E-02 0.541E-01
DAV: 39 -0.442026284293E+03 0.38020E-02 -0.14910E-03 1976 0.462E-02 0.717E-01
DAV: 40 -0.442024614397E+03 0.16699E-02 -0.15159E-04 1624 0.207E-02 0.732E-01
DAV: 41 -0.442023657773E+03 0.95662E-03 -0.59553E-05 1208 0.704E-03 0.746E-01
DAV: 42 -0.442022094595E+03 0.15632E-02 -0.41854E-04 1728 0.217E-02 0.737E-01
DAV: 43 -0.442018281995E+03 0.38126E-02 -0.10765E-02 2056 0.680E-02 0.427E-01
DAV: 44 -0.442017531700E+03 0.75030E-03 -0.40023E-04 1696 0.404E-02 0.360E-01
DAV: 45 -0.442018747501E+03 -0.12158E-02 -0.39462E-03 1968 0.309E-02 0.951E-01
DAV: 46 -0.442015638931E+03 0.31086E-02 -0.10955E-04 1648 0.307E-02 0.910E-01
DAV: 47 -0.442014950952E+03 0.68798E-03 -0.11313E-05 1000 0.450E-03 0.879E-01
DAV: 48 -0.442026284888E+03 -0.11334E-01 -0.88876E-02 2160 0.187E-01 0.410E-01
DAV: 49 -0.442027410664E+03 -0.11258E-02 -0.37319E-03 1880 0.835E-02 0.731E-01
DAV: 50 -0.442022323385E+03 0.50873E-02 -0.27709E-03 1976 0.604E-02 0.750E-01
DAV: 51 -0.442021849200E+03 0.47419E-03 -0.14818E-04 1648 0.233E-02 0.761E-01
DAV: 52 -0.442022144970E+03 -0.29577E-03 -0.63026E-05 1056 0.776E-03 0.772E-01
DAV: 53 -0.442022160960E+03 -0.15990E-04 -0.30806E-06 896 0.371E-03 0.772E-01
DAV: 54 -0.442022615518E+03 -0.45456E-03 -0.55690E-05 1072 0.650E-03 0.778E-01
DAV: 55 -0.442021888945E+03 0.72657E-03 -0.81177E-05 1080 0.854E-03 0.776E-01
DAV: 56 -0.442020639202E+03 0.12497E-02 -0.28936E-04 1448 0.183E-02 0.731E-01
DAV: 57 -0.442019739471E+03 0.89973E-03 -0.24606E-04 1624 0.158E-02 0.660E-01
DAV: 58 -0.442020224525E+03 -0.48505E-03 -0.58778E-05 1176 0.738E-03 0.694E-01
DAV: 59 -0.442020334714E+03 -0.11019E-03 -0.17596E-05 952 0.456E-03 0.708E-01
DAV: 60 -0.442020015209E+03 0.31950E-03 -0.29239E-05 944 0.352E-03 0.684E-01
DAV: 61 -0.442018885968E+03 0.11292E-02 -0.60579E-04 1392 0.173E-02 0.538E-01
DAV: 62 -0.442019717559E+03 -0.83159E-03 -0.21076E-04 1216 0.123E-02 0.627E-01
DAV: 63 -0.442019683252E+03 0.34306E-04 -0.45400E-06 936 0.334E-03 0.633E-01
DAV: 64 -0.442019668581E+03 0.14671E-04 -0.43672E-07 864 0.129E-03 0.634E-01
DAV: 65 -0.442020006631E+03 -0.33805E-03 -0.48833E-05 984 0.433E-03 0.671E-01
DAV: 66 -0.442018672484E+03 0.13341E-02 -0.82860E-04 1384 0.201E-02 0.489E-01
DAV: 67 -0.442021157362E+03 -0.24849E-02 -0.21224E-03 1640 0.293E-02 0.737E-01
DAV: 68 -0.442021096519E+03 0.60844E-04 -0.37069E-05 1272 0.101E-02 0.747E-01
DAV: 69 -0.442019999393E+03 0.10971E-02 -0.26558E-04 1136 0.105E-02 0.685E-01
DAV: 70 -0.442020100440E+03 -0.10105E-03 -0.44464E-06 952 0.364E-03 0.687E-01
DAV: 71 -0.442020968317E+03 -0.86788E-03 -0.20267E-04 1112 0.956E-03 0.742E-01
DAV: 72 -0.442020950781E+03 0.17535E-04 -0.49336E-06 952 0.375E-03 0.744E-01
DAV: 73 -0.442020987435E+03 -0.36654E-04 -0.16402E-06 864 0.240E-03 0.747E-01
DAV: 74 -0.442021027601E+03 -0.40166E-04 -0.15623E-06 864 0.225E-03 0.749E-01
DAV: 75 -0.442020941254E+03 0.86347E-04 -0.17979E-06 864 0.117E-03 0.746E-01
DAV: 76 -0.442030623815E+03 -0.96826E-02 -0.29367E-02 2136 0.165E-01 0.244E-01
DAV: 77 -0.442032813622E+03 -0.21898E-02 -0.12711E-03 1832 0.582E-02 0.338E-01
DAV: 78 -0.442032874581E+03 -0.60959E-04 -0.90724E-05 1456 0.151E-02 0.321E-01
DAV: 79 -0.442033653808E+03 -0.77923E-03 -0.34290E-04 1736 0.218E-02 0.267E-01
DAV: 80 -0.442033796804E+03 -0.14300E-03 -0.23224E-05 1280 0.111E-02 0.273E-01
DAV: 81 -0.442033413998E+03 0.38281E-03 -0.87592E-05 1272 0.134E-02 0.300E-01
DAV: 82 -0.442032855690E+03 0.55831E-03 -0.11242E-04 1568 0.141E-02 0.335E-01
DAV: 83 -0.442032430699E+03 0.42499E-03 -0.41770E-05 1264 0.110E-02 0.358E-01
DAV: 84 -0.442032115639E+03 0.31506E-03 -0.16448E-05 1032 0.642E-03 0.377E-01
DAV: 85 -0.442031882171E+03 0.23347E-03 -0.98659E-06 1016 0.458E-03 0.390E-01
DAV: 86 -0.442031681063E+03 0.20111E-03 -0.53404E-06 976 0.584E-03 0.402E-01
DAV: 87 -0.442031670451E+03 0.10612E-04 -0.23318E-06 864 0.309E-03 0.397E-01
DAV: 88 -0.442031671099E+03 -0.64792E-06 -0.35489E-07 864 0.114E-03
1 F= -.44203167E+03 E0= -.44202880E+03 d E =-.860619E-02