Dear Paul, For 3d, I guess you can use the Fe psp input in the paw_library. Try commenting the? PAW tags if you want to have an input sample for ultrasoft to work on.. But, you may as well start using PAW instead. Emine Kucukbenli, PhD student, SISSA, Italy
--- On Thu, 3/12/09, Paul M. Grant <w2agz at pacbell.net> wrote: From: Paul M. Grant <[email protected]> Subject: Re: [Pw_forum] ld1.x & US requires... To: "'PWSCF Forum'" <pw_forum at pwscf.org> Date: Thursday, March 12, 2009, 5:10 PM Thanks, Paolo. Actually, I was aware of that library of ld1.x input examples, but what I was actually asking about were there any similar examples for the 3d TMs around somewhere. I should have been more specific. Paul M. Grant, PhD Principal, W2AGZ Technologies Visiting Scholar, Applied Physics, Stanford (2005-2008) EPRI Science Fellow (Retired) IBM Research Staff Member Emeritus w2agz at pacbell.net http://www.w2agz.com ? ? -----Original Message----- From: pw_forum-bounces at pwscf.org [mailto:[email protected]] On Behalf Of Paolo Giannozzi Sent: Thursday, March 12, 2009 12:21 AM To: PWSCF Forum Subject: Re: [Pw_forum] ld1.x & US requires... On Mar 12, 2009, at 5:29 , Paul M. Grant wrote: > as far as I could find, none provided a large number of input examples > one could play around with see atomic_doc/pseudo_library --- Paolo Giannozzi, Democritos and University of Udine, Italy _______________________________________________ Pw_forum mailing list Pw_forum at pwscf.org http://www.democritos.it/mailman/listinfo/pw_forum _______________________________________________ Pw_forum mailing list Pw_forum at pwscf.org http://www.democritos.it/mailman/listinfo/pw_forum -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20090313/06408946/attachment.htm
