Hi
If you use GGA pseudos, then you will get GGA+U results.
Regards
Ricardo
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Dr. Ricardo Faccio
Prof. Adjunto de F?sica
Mail: Cryssmat-Lab., C?tedra de F?sica, DETEMA
Facultad de Qu?mica, Universidad de la Rep?blica
Av. Gral. Flores 2124, C.C. 1157
C.P. 11800, Montevideo, Uruguay.
E-mail: rfaccio at fq.edu.uy
Phone: 598 2 924 98 59
598 2 929 06 48
Fax: 598 2 9241906
Web: http://cryssmat.fq.edu.uy/ricardo/ricardo.htm
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----- Original Message -----
From: Vi Vo
To: pw_forum at pwscf.org
Sent: Thursday, June 10, 2010 4:47 PM
Subject: [Pw_forum] DFT+U
Dear PWSCF users,
In the PW_INPUT, I see there is an option for using LDA+U. Is it true that
only LDA can be used with QE. How about GGA+U and PBE+U? Are they
implemented?
Thank you very much,
Vi Vo
Chemical Engineering Department
University of Houston
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