[QE-users] Question regarding mixing of PBE and PBESOL PP

[Paolo Giannozzi]

On Sat, May 4, 2019 at 6:27 AM Yeon, Jejoon <jyeon at udel.edu> wrote:

For Ca, PBE is only available option from QE PP webpage, there is no PBESOL
> for Ca yet.
>

it can be easily generated from the PSLibrary. I have one on my computer
that you can find here:

http://www.fisica.uniud.it/~giannozz/Public/Ca.pbesol-spn-kjpaw_psl.1.0.0.UPF.xz
(uncompress with "xz -d")

Paolo
-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20190504/2f671f46/attachment.html>