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<div class="moz-cite-prefix">On page 111 in section 7.1.3 of the
WIEN2k 16.1 usersguide [
<a class="moz-txt-link-freetext" href="http://susi.theochem.tuwien.ac.at/reg_user/textbooks/usersguide.pdf">http://susi.theochem.tuwien.ac.at/reg_user/textbooks/usersguide.pdf</a>
], there is:<br>
<br>
XC_PBE : GGA PBE [Perdew et al., 1996]<br>
<br>
That is the article:<br>
<br>
J. Perdew, K. Burke, M. Ernzerhof, Generalized Gradient
Approximation Made Simple, Phys. Rev. Lett. 77, 3865 (1996) [ <span
class="doi-field"><a class="moz-txt-link-freetext" href="https://doi.org/10.1103/PhysRevLett.77.3865">https://doi.org/10.1103/PhysRevLett.77.3865</a></span>
]<br>
<br>
It looks like equation 3 and equation 10 in the article is Ec and
Ex for PBE, respectively.<br>
<br>
On 1/14/2017 5:17 AM, Pascal Boulet wrote:<br>
</div>
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cite="mid:5EC16F1D-AE6C-4F55-AF5D-47B83CE88B83@univ-amu.fr"
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Hello,
<div><br>
</div>
<div>just google « pbe density functional » and you will get the
reference to the relevant paper. </div>
<div><br>
</div>
<div>Best regards,</div>
<div>Pascal</div>
<div><br>
<div>
<div>Le 13 janv. 2017 à 19:46, Abderrahmane Reggad <<a
moz-do-not-send="true" href="mailto:jazairdz@gmail.com">jazairdz@gmail.com</a>>
a écrit :</div>
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<div dir="ltr">Dear wien developpers
<div><br>
</div>
<div>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 .</div>
<div><br>
</div>
<div>Best regards<br clear="all">
<div><br>
</div>
-- <br>
<div class="gmail_signature"
data-smartmail="gmail_signature">
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<div><font size="2"><span
style="color:rgb(0,0,255)">Mr:
A.Reggad</span>
<br>
<span
style="background-color:rgb(238,238,238)"><span
style="color:blue">Laboratoire
de Génie Physique</span></span><br>
</font></div>
<font size="2"><span
style="color:rgb(0,0,255)">Université
Ibn Khaldoun - Tiaret</span><br>
</font></div>
<div style="font-family:monospace"><font
color="#0000ff" size="2">Adresse:
BP 144 AL ATTAF AIN DEFLA <br>
</font></div>
<div style="font-family:monospace"><font
color="#0000ff" size="2">Tel:
+213(0)561861963</font></div>
<div><font size="2"><span
style="font-family:monospace"><span
style="color:rgb(0,0,255)">Algerie</span></span></font><br>
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