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