iterations/neb0_image08_iter37_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 0.210390779375E+04 0.21039E+04 -0.11605E+05 1696 0.105E+03
DAV: 2 -0.141401644275E+03 -0.22453E+04 -0.21554E+04 2168 0.262E+02
DAV: 3 -0.466628076939E+03 -0.32523E+03 -0.32201E+03 1848 0.108E+02
DAV: 4 -0.478911797661E+03 -0.12284E+02 -0.12234E+02 1960 0.224E+01
DAV: 5 -0.479372421999E+03 -0.46062E+00 -0.46041E+00 2136 0.381E+00 0.428E+01
DAV: 6 -0.447667026197E+03 0.31705E+02 -0.14437E+02 1984 0.311E+01 0.271E+01
DAV: 7 -0.448020591651E+03 -0.35357E+00 -0.43487E+01 1848 0.112E+01 0.135E+01
DAV: 8 -0.447069202413E+03 0.95139E+00 -0.78475E+00 2432 0.800E+00 0.992E+00
DAV: 9 -0.446134699193E+03 0.93450E+00 -0.98739E+00 2024 0.455E+00 0.561E+00
DAV: 10 -0.446291149244E+03 -0.15645E+00 -0.90966E-01 2192 0.442E+00 0.643E+00
DAV: 11 -0.445672399445E+03 0.61875E+00 -0.17283E+00 1984 0.216E+00 0.134E+00
DAV: 12 -0.445695939625E+03 -0.23540E-01 -0.19180E-01 1920 0.110E+00 0.903E-01
DAV: 13 -0.445701671883E+03 -0.57323E-02 -0.44857E-02 1816 0.476E-01 0.662E-01
DAV: 14 -0.445707179675E+03 -0.55078E-02 -0.21369E-02 1920 0.341E-01 0.714E-01
DAV: 15 -0.445711136358E+03 -0.39567E-02 -0.51993E-02 2168 0.308E-01 0.932E-01
DAV: 16 -0.445708473960E+03 0.26624E-02 -0.37234E-02 2152 0.196E-01 0.479E-01
DAV: 17 -0.445709372783E+03 -0.89882E-03 -0.23685E-03 1872 0.118E-01 0.119E-01
DAV: 18 -0.445712266562E+03 -0.28938E-02 -0.11842E-03 1856 0.713E-02 0.568E-02
DAV: 19 -0.445713821072E+03 -0.15545E-02 -0.45011E-04 2024 0.592E-02 0.153E-01
DAV: 20 -0.445715312291E+03 -0.14912E-02 -0.66709E-04 2072 0.760E-02 0.492E-02
DAV: 21 -0.445716213313E+03 -0.90102E-03 -0.37212E-04 1872 0.428E-02 0.108E-01
DAV: 22 -0.445716705548E+03 -0.49224E-03 -0.28186E-04 2072 0.422E-02 0.264E-02
DAV: 23 -0.445717276441E+03 -0.57089E-03 -0.12171E-04 1760 0.254E-02 0.180E-02
DAV: 24 -0.445717433007E+03 -0.15657E-03 -0.62023E-05 1792 0.171E-02 0.599E-02
DAV: 25 -0.445717497764E+03 -0.64757E-04 -0.44581E-05 1256 0.136E-02 0.200E-02
DAV: 26 -0.445717559785E+03 -0.62022E-04 -0.12339E-05 1080 0.785E-03 0.569E-03
DAV: 27 -0.445717602605E+03 -0.42819E-04 -0.36006E-06 1032 0.360E-03 0.162E-02
DAV: 28 -0.445717626313E+03 -0.23708E-04 -0.18179E-06 1000 0.280E-03 0.723E-03
DAV: 29 -0.445717640176E+03 -0.13863E-04 -0.29676E-06 968 0.403E-03 0.643E-03
DAV: 30 -0.445717643883E+03 -0.37065E-05 -0.59081E-07 936 0.184E-03
1 F= -.44571764E+03 E0= -.44569277E+03 d E =-.746204E-01