indxc=5 corresponds to LSDA with Dirac for exchange and PW92 [J. P. Perdew and Y. Wang, Phys. Rev. B 45, 13244 (1992)] for correlation.
On Sat, 2 Nov 2013, [email protected] wrote:
Respected Sir I am using the latest version of WIEN2k_13.1 code. There are different option for exchange correlation functional. I want to know the reference for the LSDA functional implemented in this code. Thanks and regards. Dr. Sonu Sharma IIT Mandi (H.P.) India _______________________________________________ Wien mailing list [email protected] http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/[email protected]/index.html
_______________________________________________ Wien mailing list [email protected] http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/[email protected]/index.html
