[Wien] Calculate energy densities
Georg Eickerling
georg.eickerling at physik.uni-augsburg.de
Thu May 11 17:19:47 CEST 2006
Dear WIEN users,
I have a question concerning energy densities:
When I run the AIM-package, I can locate the bond critical points, I can
follow the bondpathes and bader charges.
What I would be interested in is the kinetic and potential energy density for
instance at the BCPs. Is there any way to calculate the values for G(r)
and/or V(r) using WIEN2K ?
Thanks in advance for any answer
Georg
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