On page 111 in section 7.1.3 of the WIEN2k 16.1 usersguide [ http://susi.theochem.tuwien.ac.at/reg_user/textbooks/usersguide.pdf ], there is:

XC_PBE : GGA PBE [Perdew et al., 1996]

That is the article:

J. Perdew, K. Burke, M. Ernzerhof, Generalized Gradient Approximation Made Simple, Phys. Rev. Lett. 77, 3865 (1996) [ https://doi.org/10.1103/PhysRevLett.77.3865 ]

It looks like equation 3 and equation 10 in the article is Ec and Ex for PBE, respectively.

On 1/14/2017 5:17 AM, Pascal Boulet wrote:
Hello,

just google « pbe density functional » and you will get the reference to the relevant paper.

Best regards,
Pascal

Le 13 janv. 2017 à 19:46, Abderrahmane Reggad <jazai...@gmail.com <mailto:jazai...@gmail.com>> a écrit :

Dear wien developpers

I need the formulas of the correlation and exchange potentials and energies (Pc, Px, Ec and Ex) for the functional PBE implemented in the wien2k code .

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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