iterations/neb0_image01_iter10_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 0.208724925474E+04 0.20872E+04 -0.11605E+05 1704 0.105E+03
DAV: 2 -0.140822447321E+03 -0.22281E+04 -0.21407E+04 2136 0.261E+02
DAV: 3 -0.461767122058E+03 -0.32094E+03 -0.31719E+03 1904 0.107E+02
DAV: 4 -0.475423106558E+03 -0.13656E+02 -0.13435E+02 1960 0.227E+01
DAV: 5 -0.475923943189E+03 -0.50084E+00 -0.50052E+00 2104 0.384E+00 0.433E+01
DAV: 6 -0.457723297649E+03 0.18201E+02 -0.20412E+02 2048 0.318E+01 0.411E+01
DAV: 7 -0.450242294132E+03 0.74810E+01 -0.42440E+01 1784 0.140E+01 0.199E+01
DAV: 8 -0.445719543965E+03 0.45228E+01 -0.81373E+00 1784 0.720E+00 0.115E+01
DAV: 9 -0.446368000386E+03 -0.64846E+00 -0.22126E+01 2036 0.822E+00 0.991E+00
DAV: 10 -0.445859897376E+03 0.50810E+00 -0.15776E+00 1816 0.226E+00 0.859E+00
DAV: 11 -0.445085263353E+03 0.77463E+00 -0.58433E-01 2000 0.177E+00 0.637E+00
DAV: 12 -0.445098376983E+03 -0.13114E-01 -0.47748E+00 2040 0.308E+00 0.144E+01
DAV: 13 -0.444365694528E+03 0.73268E+00 -0.55656E+00 1960 0.238E+00 0.350E+00
DAV: 14 -0.444447163307E+03 -0.81469E-01 -0.15817E-01 1912 0.888E-01 0.297E+00
DAV: 15 -0.444378212210E+03 0.68951E-01 -0.19315E-02 2008 0.416E-01 0.186E+00
DAV: 16 -0.444363199062E+03 0.15013E-01 -0.70609E-03 2016 0.279E-01 0.749E-01
DAV: 17 -0.444376272511E+03 -0.13073E-01 -0.78355E-03 1936 0.296E-01 0.114E+00
DAV: 18 -0.444370410430E+03 0.58621E-02 -0.16250E-01 1888 0.343E-01 0.482E-01
DAV: 19 -0.444378134468E+03 -0.77240E-02 -0.33457E-03 1856 0.131E-01 0.334E-01
DAV: 20 -0.444377471122E+03 0.66335E-03 -0.75034E-04 1888 0.661E-02 0.188E-01
DAV: 21 -0.444378754585E+03 -0.12835E-02 -0.51676E-04 2280 0.798E-02 0.509E-02
DAV: 22 -0.444379953605E+03 -0.11990E-02 -0.35930E-04 1784 0.433E-02 0.919E-02
DAV: 23 -0.444380368732E+03 -0.41513E-03 -0.94959E-05 2008 0.272E-02 0.910E-02
DAV: 24 -0.444380658479E+03 -0.28975E-03 -0.18989E-04 1880 0.372E-02 0.393E-02
DAV: 25 -0.444380994092E+03 -0.33561E-03 -0.40019E-05 1672 0.193E-02 0.222E-02
DAV: 26 -0.444381292412E+03 -0.29832E-03 -0.61888E-05 1792 0.180E-02 0.179E-02
DAV: 27 -0.444381498764E+03 -0.20635E-03 -0.24601E-05 1368 0.105E-02 0.107E-02
DAV: 28 -0.444381542649E+03 -0.43885E-04 -0.77372E-06 1216 0.619E-03 0.798E-03
DAV: 29 -0.444381558574E+03 -0.15926E-04 -0.13519E-06 936 0.291E-03 0.561E-03
DAV: 30 -0.444381581982E+03 -0.23408E-04 -0.40310E-06 1064 0.583E-03 0.378E-03
DAV: 31 -0.444381585849E+03 -0.38664E-05 -0.13166E-06 936 0.273E-03
1 F= -.44438159E+03 E0= -.44437490E+03 d E =-.200539E-01