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- From: "Patrick B. Hillyard" <phillyar@stanford.edu>
- To: <forum@abinit.org>
- Subject: Band selective electron density map
- Date: Tue, 18 Mar 2008 10:48:32 -0700
Dear ABINITers,
I am performing calculations using semicore pseudopotentials and am
interested in making electron density plots. I am outputting the density,
using cut3d to format the file, and using an external utility to plot.
However, I am only interested in viewing the valence electron density. Is
there a way to exclude the semicore bands that are included since I am using
a semicore pseudopotential?
Thanks for any help,
Patrick Hillyard
- Band selective electron density map, Patrick B. Hillyard, 03/18/2008
- Re: [abinit-forum] Band selective electron density map, Xavier Gonze, 03/19/2008
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