Dear Pandey, 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 > espresso-5.0.1. > 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 > http://www.democritos.it/mailman/listinfo/pw_forum > > -- Best Regards. Peng -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120923/b9505960/attachment.htm
