[Pw_forum] Can the pwscf works with PAW pseudopotentials in JTH xml format?

Paolo Giannozzi paolo.giannozzi at uniud.it
Fri Feb 7 17:34:03 CET 2014


On Fri, 2014-02-07 at 23:30 +0800, jijun gong wrote:

> I want to know whether pwscf can be used directly with paw
> pseudopotentials in xml format, provided by the JTH table 
> in abinit.org web, if not, does there has a useful tool to
> convert it to UPF format, or how to convert it to UPF style?
> thank you for your attention! I had send this email two days 
> ago, but it seems failed

it didn't: you can find it in the archive.

Short answer: no, QE cannot currently read xml formats other 
than its own, and no: a conversion tool has to be written.

P.

> , so I send it again.
> Really appreciate for any reply!
> 
> 
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum

-- 
 Paolo Giannozzi, Dept. Chemistry&Physics&Environment, 
 Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
 Phone +39-0432-558216, fax +39-0432-558222 




More information about the users mailing list