On Fri, 2013-04-26 at 15:47 +0200, Thomas Gruber wrote: > [I] want to know if I can combine Projector Augmented Wave > (Kresse-Joubert paper) (Mg.*_bpaw_*.UPF) with Projector Augmented > Wave (original Bloechl recipe)(Si.*_kjpaw_*.UPF) pseudopotentials
I think so. The simplest way to be sure is to try. > Or does as (Mg.*_kjpaw_*.UPF) exist? hard to say if it exists or not, but it isn't available from the PP page of the QE web site, so it is likely nonexistent > Tanks in advance. You are welcome :-) P. -- Paolo Giannozzi, Dept. Chemistry&Physics&Environment, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222 -------------- next part -------------- A non-text attachment was scrubbed... Name: tanks.jpg Type: image/jpeg Size: 15557 bytes Desc: not available Url : http://pwscf.org/pipermail/pw_forum/attachments/20130427/8ae97383/attachment.jpg
