[Wien] The correlation and exchange formulas of potential and energy for PBE functional
Abderrahmane Reggad
jazairdz at gmail.com
Tue Jan 17 13:42:57 CET 2017
Thanks again Dr Gavin for the explanation
Since the total potential Vt is calculated by the program lapw0, we can
find in the repertory SRC_lapw0 how the diiferent parts are implemented and
their formulas.
On other side, I think the new library LIBXC contains all the formulas of
the didderent parts for energy and potential.
Best regards
--
Mr: A.Reggad
Laboratoire de Génie Physique
Université Ibn Khaldoun - Tiaret
Adresse: BP 144 AL ATTAF AIN DEFLA
Tel: +213(0)561861963
Algerie
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