[Wien] Incorporation of van der Walls forces in WIEN2k calculation using NOLOCO code
alpa dashora
dashoralpa at gmail.com
Mon Jun 10 10:58:20 CEST 2013
Dear Wien2k users,
I wish to incorporate vdW forces in WIEN2k calculation. I have read the
following paper "Computer Physics
Communications<http://www.sciencedirect.com/science/journal/00104655>
, Volume 182, Issue
8<http://www.sciencedirect.com/science/journal/00104655/182/8>,
August 2011, Pages 1657–1662".
In this paper authors have mentioned that this code can be used with the
WIEN2k code. I have downloaded the noloco code. I didn't found any detail
regarding the use of this code with WIEN2k. Can any body please suggest me
how to use this code with Wien2k?
and at which state of WIEN2k calculation vdW faces will be incorporated.
Thanks in advance.
With regards,
--
Alpa Dashora
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