iterations/neb0_image07_iter39_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 0.210179094076E+04 0.21018E+04 -0.11603E+05 1696 0.105E+03
DAV: 2 -0.138016703897E+03 -0.22398E+04 -0.21505E+04 2144 0.262E+02
DAV: 3 -0.464388563883E+03 -0.32637E+03 -0.32144E+03 1888 0.108E+02
DAV: 4 -0.477125057873E+03 -0.12736E+02 -0.12689E+02 1928 0.227E+01
DAV: 5 -0.477616216141E+03 -0.49116E+00 -0.49087E+00 2112 0.388E+00 0.429E+01
DAV: 6 -0.448552535492E+03 0.29064E+02 -0.14797E+02 2048 0.319E+01 0.272E+01
DAV: 7 -0.445802486170E+03 0.27500E+01 -0.25641E+01 1856 0.116E+01 0.127E+01
DAV: 8 -0.446267086768E+03 -0.46460E+00 -0.11327E+01 2016 0.662E+00 0.982E+00
DAV: 9 -0.446361736446E+03 -0.94650E-01 -0.60002E+00 2440 0.712E+00 0.650E+00
DAV: 10 -0.446031093082E+03 0.33064E+00 -0.12849E+00 1784 0.226E+00 0.546E+00
DAV: 11 -0.445406110467E+03 0.62498E+00 -0.56276E-01 2248 0.226E+00 0.380E+00
DAV: 12 -0.445269201061E+03 0.13691E+00 -0.18028E+00 2120 0.185E+00 0.199E+00
DAV: 13 -0.445289208540E+03 -0.20007E-01 -0.11506E-01 1896 0.891E-01 0.116E+00
DAV: 14 -0.445277717812E+03 0.11491E-01 -0.15123E-02 1864 0.266E-01 0.775E-01
DAV: 15 -0.445279004431E+03 -0.12866E-02 -0.14176E-02 1904 0.353E-01 0.604E-01
DAV: 16 -0.445279886595E+03 -0.88216E-03 -0.56710E-03 1992 0.212E-01 0.261E-01
DAV: 17 -0.445281976210E+03 -0.20896E-02 -0.28821E-03 1888 0.114E-01 0.407E-01
DAV: 18 -0.445282986519E+03 -0.10103E-02 -0.21154E-03 2480 0.184E-01 0.307E-01
DAV: 19 -0.445284010134E+03 -0.10236E-02 -0.10539E-03 1888 0.695E-02 0.244E-01
DAV: 20 -0.445285048455E+03 -0.10383E-02 -0.43850E-04 2200 0.739E-02 0.161E-01
DAV: 21 -0.445286065101E+03 -0.10166E-02 -0.53813E-04 2280 0.717E-02 0.101E-01
DAV: 22 -0.445286668351E+03 -0.60325E-03 -0.24797E-04 1888 0.543E-02 0.746E-02
DAV: 23 -0.445287528720E+03 -0.86037E-03 -0.37572E-04 1792 0.453E-02 0.315E-02
DAV: 24 -0.445287790086E+03 -0.26137E-03 -0.50596E-05 1736 0.259E-02 0.251E-02
DAV: 25 -0.445287944165E+03 -0.15408E-03 -0.12128E-04 1816 0.293E-02 0.270E-02
DAV: 26 -0.445287969692E+03 -0.25527E-04 -0.93922E-06 992 0.101E-02 0.145E-02
DAV: 27 -0.445288037200E+03 -0.67508E-04 -0.13537E-05 1192 0.832E-03 0.958E-03
DAV: 28 -0.445288050111E+03 -0.12911E-04 -0.29586E-06 952 0.414E-03 0.420E-03
DAV: 29 -0.445288062545E+03 -0.12434E-04 -0.12643E-06 968 0.310E-03 0.187E-03
DAV: 30 -0.445288077144E+03 -0.14599E-04 -0.15305E-06 968 0.339E-03 0.174E-03
DAV: 31 -0.445288081034E+03 -0.38904E-05 -0.39255E-07 936 0.186E-03
1 F= -.44528808E+03 E0= -.44527597E+03 d E =-.363473E-01