[Pw_forum] UPF version 1 pseudopotentials

[Paolo Giannozzi]

On Wed, 2014-04-30 at 10:23 +0000, Vaida Arcisauskaite wrote:

> Maybe already generated UPF v1 PPs can be found somewhere on the net?

there are several links on the web site:
   www.quantum-espresso.org/pseudopotentials/about/
There are also converters to the UPF format. Older QE
versions convert to UPF v.1 format.

Paolo

> Best regards, Vaida
> 
> 
> ________________________________________
> From: pw_forum-bounces at pwscf.org [pw_forum-bounces at pwscf.org] on behalf of Paolo Giannozzi [paolo.giannozzi at uniud.it]
> Sent: Tuesday, April 29, 2014 2:46 PM
> To: PWSCF Forum
> Subject: Re: [Pw_forum] UPF version 1 pseudopotentials
> 
> On Tue, 2014-04-29 at 12:27 +0000, Vaida Arcisauskaite wrote:
> 
> > I would like to generate UPF version 1 pseudopotentials (...)
> > Could you please let me know which version of Quantum Espresso
> > ld1.x code should I use then?
> 
> There is a file Doc/release-notes, containing among many others
> this remark:
> 
> Incompatible changes in 5.0.1 version:
>    * ld1.x no longer generates pseudopotentials into UPF v.1
> 
> So you should use v.5.0 and earlier
> P.
> 
> --
> 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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-- 
 Paolo Giannozzi, Dept. Chemistry&Physics&Environment, 
 Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
 Phone +39-0432-558216, fax +39-0432-558222