[Wien] Energy-resolved atomic density from LSTART

Thomas Claesson tcl at kth.se
Mon Feb 11 13:53:09 CET 2008


Dear Wien users and developers!

I would like to know if there is some way to extract the atomic density 
from LSTART in an energy-resolved way? As far as I can see from the 
documentation, LSTART only offers the possibility to select one (or 
several) orbital state(s), like 3d or 4s, independent of the energy. 
Instead, I would like to extract the atomic density from LSTART for a 
certain energy range, say 0.2 … 0.3 Ry, independent of the orbital 
character. Is that possible to do? If so, how?

Thanks for your replies in advance!

Best regards, Thomas Claesson


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