Dear Artee. First, please provide always your affiliation. If you need some USPP, try to generate and test it! It is not so difficult and you can learn so much about your working tools. I'm keen (!) on Vanderbilt USPP generation code... You can find it at http://www.physics.rutgers.edu/~dhv/uspp/ Of course, you can also try the analogous QE tool (look at your QE/atomic_doc/ directory). You can use the headers of some available PBE or PW91 pseudo to generate your own LDA one.
Yours Giuseppe On Tuesday 17 March 2009 07:30:34 artee sharma wrote: > Dear all, > Is anybody using pseudopotential files of LDA (USSP) for Mn and Cr?? If > possible kindly share. > > thanks > artee -- ******************************************************** - Article premier - Les hommes naissent et demeurent libres et ?gaux en droits. Les distinctions sociales ne peuvent ?tre fond?es que sur l'utilit? commune - Article 2 - Le but de toute association politique est la conservation des droits naturels et imprescriptibles de l'homme. Ces droits sont la libert?, la propri?t?, la s?ret? et la r?sistance ? l'oppression. ******************************************************** Giuseppe Mattioli CNR - ISTITUTO DI STRUTTURA DELLA MATERIA v. Salaria Km 29,300 - C.P. 10 I 00016 - Monterotondo Stazione (RM) Tel + 39 06 90672836 - Fax +39 06 90672316 E-mail: <giuseppe.mattioli at ism.cnr.it> -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20090317/72386960/attachment.htm
