[Pw_forum] info regarding r.x code
pchen at ion.chem.utk.edu
Sun Sep 23 17:08:12 CEST 2012
You can find r.x in the exercises of "Matteo Cococcioni,Examples of
spin-polarized and DFT+U calculations" in the link:
http://media.quantum-espresso.org/santa_barbara_2009_07/index.php. And you
can follow the "instructions of LDA+U" to calculate U.
On Sun, Sep 23, 2012 at 1:13 AM, Bramha Pandey <pandey.bramha at gmail.com>wrote:
> Dear Users and Developers,
> How can i get the r.x code for the calculation of U parameter in quantum
> Any kind of help is heartily appreciable.
> Thanks and Regards
> Bramha Prasad Pandey
> Ph.D Student Indian School of Mines(ISM)
> Dhanbad, INDIA.
> Pw_forum mailing list
> Pw_forum at pwscf.org
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