iterations/neb0_image04_iter52_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 0.208840064198E+04 0.20884E+04 -0.11610E+05 1704 0.105E+03
DAV: 2 -0.141319394759E+03 -0.22297E+04 -0.21391E+04 2136 0.261E+02
DAV: 3 -0.465849381176E+03 -0.32453E+03 -0.32108E+03 1864 0.107E+02
DAV: 4 -0.478188387869E+03 -0.12339E+02 -0.12289E+02 1944 0.224E+01
DAV: 5 -0.478659255179E+03 -0.47087E+00 -0.47061E+00 2144 0.380E+00 0.430E+01
DAV: 6 -0.447891982253E+03 0.30767E+02 -0.14665E+02 2016 0.318E+01 0.381E+01
DAV: 7 -0.454270048562E+03 -0.63781E+01 -0.27904E+02 1896 0.141E+01 0.209E+01
DAV: 8 -0.448178787317E+03 0.60913E+01 -0.88462E+00 1784 0.798E+00 0.129E+01
DAV: 9 -0.446353853896E+03 0.18249E+01 -0.24367E+01 2008 0.123E+01 0.957E+00
DAV: 10 -0.445644419884E+03 0.70943E+00 -0.49176E+00 1872 0.386E+00 0.104E+01
DAV: 11 -0.444870847590E+03 0.77357E+00 -0.84061E-01 1984 0.190E+00 0.717E+00
DAV: 12 -0.444882233305E+03 -0.11386E-01 -0.81415E+00 2160 0.342E+00 0.701E+00
DAV: 13 -0.444716855118E+03 0.16538E+00 -0.10197E+00 2152 0.332E+00 0.742E+00
DAV: 14 -0.444232133630E+03 0.48472E+00 -0.13674E+00 1888 0.148E+00 0.311E+00
DAV: 15 -0.444237841222E+03 -0.57076E-02 -0.18821E-01 1816 0.580E-01 0.105E+00
DAV: 16 -0.444507542576E+03 -0.26970E+00 -0.16711E+00 2184 0.947E-01 0.718E+00
DAV: 17 -0.444229287601E+03 0.27825E+00 -0.23113E-01 1960 0.909E-01 0.354E+00
DAV: 18 -0.444247370662E+03 -0.18083E-01 -0.59279E-01 2088 0.923E-01 0.199E+00
DAV: 19 -0.444272342431E+03 -0.24972E-01 -0.31418E-02 1920 0.525E-01 0.135E+00
DAV: 20 -0.444266997497E+03 0.53449E-02 -0.14419E-02 1936 0.277E-01 0.105E+00
DAV: 21 -0.444269634693E+03 -0.26372E-02 -0.35334E-03 1872 0.105E-01 0.101E+00
DAV: 22 -0.444264939333E+03 0.46954E-02 -0.10032E-02 2048 0.149E-01 0.477E-01
DAV: 23 -0.444269477207E+03 -0.45379E-02 -0.12873E-02 2160 0.202E-01 0.153E-01
DAV: 24 -0.444272080898E+03 -0.26037E-02 -0.27789E-03 1760 0.115E-01 0.269E-01
DAV: 25 -0.444272543584E+03 -0.46269E-03 -0.20142E-04 1928 0.296E-02 0.302E-01
DAV: 26 -0.444273175698E+03 -0.63211E-03 -0.89641E-04 2128 0.798E-02 0.130E-01
DAV: 27 -0.444273782941E+03 -0.60724E-03 -0.46427E-04 1896 0.448E-02 0.108E-01
DAV: 28 -0.444273987018E+03 -0.20408E-03 -0.68240E-05 1520 0.187E-02 0.669E-02
DAV: 29 -0.444274340220E+03 -0.35320E-03 -0.12232E-04 1808 0.267E-02 0.651E-02
DAV: 30 -0.444274542019E+03 -0.20180E-03 -0.23211E-05 1360 0.115E-02 0.808E-02
DAV: 31 -0.444274627112E+03 -0.85093E-04 -0.64795E-05 1376 0.112E-02 0.260E-02
DAV: 32 -0.444274680801E+03 -0.53689E-04 -0.17506E-05 1128 0.108E-02 0.156E-02
DAV: 33 -0.444274711278E+03 -0.30478E-04 -0.62566E-06 992 0.619E-03 0.152E-02
DAV: 34 -0.444274729770E+03 -0.18492E-04 -0.24787E-06 976 0.371E-03 0.943E-03
DAV: 35 -0.444274737719E+03 -0.79487E-05 -0.42900E-06 928 0.357E-03
1 F= -.44427474E+03 E0= -.44425733E+03 d E =-.522143E-01