[Wien] 3p partial dos for Si

John Appleton banger_deep at yahoo.com
Wed Apr 26 23:13:45 CEST 2006


Dear WIEN users,
   
  I have a system with 10 inequivalent Si atoms. I have computed the 3p partial density of states for each atom (case.int) using tetra. The output was written to case.dos1ev. How do I compute the density of states of all 3p electrons using the density of 3p states of the individual atoms? Do I just sum the 3p DOS over all atoms for a given energy? Suggestions would be much appreciated.
   
  Thanks
   
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