iterations/neb0_image03_iter40_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 0.209873017901E+04 0.20987E+04 -0.11600E+05 1696 0.105E+03
DAV: 2 -0.138986452593E+03 -0.22377E+04 -0.21479E+04 2160 0.262E+02
DAV: 3 -0.463870925379E+03 -0.32488E+03 -0.31930E+03 1904 0.107E+02
DAV: 4 -0.476996489733E+03 -0.13126E+02 -0.13077E+02 1960 0.228E+01
DAV: 5 -0.477463009312E+03 -0.46652E+00 -0.46630E+00 2136 0.381E+00 0.432E+01
DAV: 6 -0.452845783133E+03 0.24617E+02 -0.14735E+02 2040 0.319E+01 0.421E+01
DAV: 7 -0.453898845588E+03 -0.10531E+01 -0.83128E+01 1784 0.145E+01 0.219E+01
DAV: 8 -0.447453886026E+03 0.64450E+01 -0.99420E+00 1840 0.851E+00 0.137E+01
DAV: 9 -0.446892517031E+03 0.56137E+00 -0.15217E+01 2048 0.110E+01 0.120E+01
DAV: 10 -0.446051955631E+03 0.84056E+00 -0.37850E+00 1832 0.348E+00 0.107E+01
DAV: 11 -0.445539449049E+03 0.51251E+00 -0.35595E-01 1968 0.188E+00 0.952E+00
DAV: 12 -0.444161294233E+03 0.13782E+01 -0.19297E+00 1976 0.386E+00 0.488E+00
DAV: 13 -0.444188936327E+03 -0.27642E-01 -0.14200E+00 2024 0.242E+00 0.369E+00
DAV: 14 -0.444117881246E+03 0.71055E-01 -0.81255E-01 1824 0.867E-01 0.195E+00
DAV: 15 -0.444152843281E+03 -0.34962E-01 -0.63569E-02 2248 0.726E-01 0.186E+00
DAV: 16 -0.444187267312E+03 -0.34424E-01 -0.40385E-01 1896 0.613E-01 0.462E+00
DAV: 17 -0.444113112248E+03 0.74155E-01 -0.45888E-01 1936 0.610E-01 0.119E+00
DAV: 18 -0.444146074729E+03 -0.32962E-01 -0.12633E-02 1800 0.262E-01 0.990E-01
DAV: 19 -0.444141293295E+03 0.47814E-02 -0.39948E-03 1920 0.152E-01 0.792E-01
DAV: 20 -0.444142284267E+03 -0.99097E-03 -0.14889E-03 1856 0.113E-01 0.574E-01
DAV: 21 -0.444144784570E+03 -0.25003E-02 -0.17976E-03 1976 0.116E-01 0.284E-01
DAV: 22 -0.444148430502E+03 -0.36459E-02 -0.88608E-04 1864 0.742E-02 0.285E-01
DAV: 23 -0.444148936172E+03 -0.50567E-03 -0.29632E-04 1920 0.413E-02 0.299E-01
DAV: 24 -0.444149075729E+03 -0.13956E-03 -0.10561E-04 1936 0.268E-02 0.244E-01
DAV: 25 -0.444149412523E+03 -0.33679E-03 -0.64332E-05 1728 0.208E-02 0.137E-01
DAV: 26 -0.444150007115E+03 -0.59459E-03 -0.51631E-05 1568 0.181E-02 0.702E-02
DAV: 27 -0.444150399139E+03 -0.39202E-03 -0.30059E-05 1496 0.165E-02 0.305E-02
DAV: 28 -0.444150530530E+03 -0.13139E-03 -0.13622E-05 1280 0.954E-03 0.197E-02
DAV: 29 -0.444150554232E+03 -0.23703E-04 -0.28168E-06 920 0.452E-03 0.225E-02
DAV: 30 -0.444150587459E+03 -0.33226E-04 -0.90444E-06 1160 0.934E-03 0.910E-03
DAV: 31 -0.444150603269E+03 -0.15810E-04 -0.23772E-06 936 0.397E-03 0.164E-02
DAV: 32 -0.444150610240E+03 -0.69710E-05 -0.98006E-07 952 0.322E-03
1 F= -.44415061E+03 E0= -.44413848E+03 d E =-.364013E-01