[QE-developers] Pseudopotential utilities

Paolo Giannozzi p.giannozzi at gmail.com
Mon Apr 20 08:51:28 CEST 2020


Hi all

I am moving the utilities for pseudopotential processing and conversion
from "upftools/" into the library of pseudopotential code, currently under
development.
Has anybody any information about the status and usefulness of the
following codes?
- interpolate.x
- the UPF <=> CASINO converters
- the HGH2QE converter
Note that I am planning to remove support for old PP formats in QE and to
leave only converters.

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/developers/attachments/20200420/aa5972b8/attachment.html>


More information about the developers mailing list