(actually, if you have the entire pdf, I am interested for a personal copy...)
Thank you very much Regards Jean-Yves Raty -------------------------------------------------------------------------= --- ----------------------- FNRS-Universite de Liege Tel : + 32-4-3663747 Institut de Physique B5 Fax : + 32-4-3662990 B4000 Sart-Tilman Email : jyraty at ulg.ac.be Belgique =20 -----Original Message----- From: pw_forum-admin at pwscf.org [mailto:pw_forum-ad...@pwscf.org] On = Behalf Of Paolo Giannozzi Sent: Wednesday, May 10, 2006 3:11 PM To: pw_forum at pwscf.org Subject: Re: [Pw_forum] Using another basis set On Wednesday 10 May 2006 10:01, Diep Quang Vinh wrote: > In the code pw, I know that we use plane wave as the basis set, > is it possible for us to import different set and run the code?=20 "to import results obtained from different basis sets" is in principle possible, even if not trivial. To use a different basis set, you may = want to use a different code. > do you have an idea on how one calculates the KB projector within the=20 > code? see attached, eq. 41 . Integrals are performed numerically=20 on a radial grid. P. --=20 Paolo Giannozzi e-mail: giannozz at nest.sns.it Scuola Normale Superiore Phone: +39/050-509876, Fax:-563513=20 Piazza dei Cavalieri 7 I-56126 Pisa, Italy
