If you have a working PBE pseudo, you can change the "pb" to "rp".
little key: ------------- pb - PBE rp - RPBE rv - revPBE Be sure to test the pseudo afterwards. Daniel J. Backlund Texas Tech University - Physics [email protected] ________________________________________ From: Pralok Kumar Samanta [[email protected]] Sent: Thursday, July 15, 2010 9:44 AM To: [email protected] Subject: Re: [SIESTA-L] How Can I obatain pseudopotentials to RPBE? Hi...Gregorio, You can generate pseudo-potentials for any atoms by using ATOM programs. You will get this programs in Pseudo directory of SIESTA. For more details, go to Pseudo>atom>Docs. In this Docs directory you may find a file atom.tex. Then convert the .tex file to .pdf. Everything is written there how to generate pseudo potential. Best wishes, Pralok 2010/7/15 Gregorio García Moreno <[email protected]<mailto:[email protected]>> Hi all I need pseudopotentials (S, C, H, O and F) for RPBE funtional? How Can I obatain these pseudopotentials? Thanks in advance Gregorio -- Pralok Kumar Samanta Theoretical Sciences Unit Jawaharlal Nehru Centre for Advanced Scientific Research Jakkur P.O, Bangalore-560064 Mobile: (+91)9535106196
