[Pw_forum] Is it possible to calculate projected density of states for only one H in a chain of different atoms
sh.shapt at gmail.com
Wed Nov 4 12:59:03 CET 2009
I would like to know, is it possible to calculate the projected density of
states for only one atom like Hydrogen or Nitrogen in a chain of of
different atoms, as I have tired using the coordinate of a single hydrogen I
mean I gave as
0.00 0.00 0.00
coordinates of Hydrogen,
in this case the calculation does not run .
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