[Wien] The correlation and exchange formulas of potential and energy for PBE functional

[Gavin Abo]

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 <jazairdz at gmail.com 
> <mailto:jazairdz at 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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