Fermi Energy and Density of States

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phoudha · #1 Post by **phoudha** » Thu Sep 13, 2007 6:57 pm

Hello,

I have small question relative to Fermi energy and DoS.
What is the difference between the value of Fermi Energy in the OUTCAR file and the one in DOS_OUTCAR file it seems to not be the same. Secondly if I want to plot DoS, Should I use value in DOSCAR file or DensityOfStates.data file to plot the density of states on Excel for example ?
Thank you.

Phoudha.

#2 Post by **admin** » Fri Sep 14, 2007 11:40 am

for the same run, the Fermi level should be the same in OUTCAR and DOSCAR.
To align the plotted DOS, please use the energy at which the integrated DOS reaches the number of valence electrons

phoudha · #3 Post by **phoudha** » Fri Sep 14, 2007 2:01 pm

Thank you.