iterations/neb0_image03_iter11_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 0.209504697294E+04 0.20950E+04 -0.11598E+05 1696 0.105E+03
DAV: 2 -0.137211836453E+03 -0.22323E+04 -0.21430E+04 2144 0.261E+02
DAV: 3 -0.464268842979E+03 -0.32706E+03 -0.32288E+03 1864 0.108E+02
DAV: 4 -0.477247909168E+03 -0.12979E+02 -0.12927E+02 1976 0.228E+01
DAV: 5 -0.477731497824E+03 -0.48359E+00 -0.48336E+00 2144 0.384E+00 0.430E+01
DAV: 6 -0.450095474783E+03 0.27636E+02 -0.14712E+02 2016 0.318E+01 0.407E+01
DAV: 7 -0.454226130460E+03 -0.41307E+01 -0.13483E+02 1816 0.151E+01 0.217E+01
DAV: 8 -0.447679181968E+03 0.65469E+01 -0.94777E+00 1832 0.945E+00 0.135E+01
DAV: 9 -0.445903328149E+03 0.17759E+01 -0.19225E+01 2104 0.124E+01 0.122E+01
DAV: 10 -0.445110167966E+03 0.79316E+00 -0.39583E+00 1880 0.366E+00 0.113E+01
DAV: 11 -0.444514103439E+03 0.59606E+00 -0.66090E-01 2072 0.188E+00 0.101E+01
DAV: 12 -0.444204871065E+03 0.30923E+00 -0.85309E+00 2144 0.345E+00 0.881E+00
DAV: 13 -0.443731124565E+03 0.47375E+00 -0.45081E-01 1896 0.296E+00 0.625E+00
DAV: 14 -0.443658717294E+03 0.72407E-01 -0.36283E+00 1904 0.139E+00 0.709E+00
DAV: 15 -0.443497690885E+03 0.16103E+00 -0.97026E-01 1904 0.774E-01 0.125E+00
DAV: 16 -0.443595951980E+03 -0.98261E-01 -0.26190E-01 1904 0.517E-01 0.407E+00
DAV: 17 -0.443563560333E+03 0.32392E-01 -0.37295E-02 1936 0.311E-01 0.366E+00
DAV: 18 -0.443527563421E+03 0.35997E-01 -0.40985E-01 2304 0.570E-01 0.121E+00
DAV: 19 -0.443573765886E+03 -0.46202E-01 -0.17763E-02 1904 0.300E-01 0.172E+00
DAV: 20 -0.443557449366E+03 0.16317E-01 -0.55312E-03 2152 0.170E-01 0.115E+00
DAV: 21 -0.443557737775E+03 -0.28841E-03 -0.90103E-03 2008 0.217E-01 0.220E-01
DAV: 22 -0.443566649317E+03 -0.89115E-02 -0.22166E-03 1864 0.106E-01 0.274E-01
DAV: 23 -0.443568522590E+03 -0.18733E-02 -0.92053E-04 1912 0.563E-02 0.843E-02
DAV: 24 -0.443570143153E+03 -0.16206E-02 -0.43291E-04 1936 0.391E-02 0.161E-01
DAV: 25 -0.443571290260E+03 -0.11471E-02 -0.18112E-04 1856 0.281E-02 0.131E-01
DAV: 26 -0.443571627094E+03 -0.33683E-03 -0.65876E-05 1464 0.138E-02 0.164E-01
DAV: 27 -0.443571938001E+03 -0.31091E-03 -0.20121E-04 1688 0.241E-02 0.282E-02
DAV: 28 -0.443572325317E+03 -0.38732E-03 -0.33624E-05 1472 0.124E-02 0.253E-02
DAV: 29 -0.443572367500E+03 -0.42184E-04 -0.69044E-06 1008 0.674E-03 0.804E-03
DAV: 30 -0.443572431632E+03 -0.64132E-04 -0.87759E-06 1168 0.683E-03 0.114E-02
DAV: 31 -0.443572448021E+03 -0.16389E-04 -0.29121E-06 960 0.380E-03 0.778E-03
DAV: 32 -0.443572459746E+03 -0.11725E-04 -0.23983E-06 960 0.426E-03 0.610E-03
DAV: 33 -0.443572471391E+03 -0.11646E-04 -0.84731E-07 976 0.224E-03 0.214E-03
DAV: 34 -0.443572476339E+03 -0.49474E-05 -0.47393E-07 936 0.186E-03
1 F= -.44357248E+03 E0= -.44356064E+03 d E =-.355145E-01