[Pw_forum] UPF version 1 pseudopotentials

[Paolo Giannozzi]

Yes, you have to specify an option. Which one, it is 
written in the documentation

P.

On Tue, 2014-05-13 at 14:03 +0000, Vaida Arcisauskaite wrote:
> Dear Paolo
> 
> Some time ago you advised me to use ld1.x code from QE 5.0.0 to generate UPF v.1 PPs.
> 
> We installed QE 5.0.0, downloaded pslibrary.1.0.0 from 
> 
> http://www.qe-forge.org/gf/project/pslibrary/frs/?action=FrsReleaseBrowse&frs_package_id=41
> 
> and then tried to generate UPF PPs.
> 
> However, the program generated <UPF version="2.0.1"> and not UPF v.1
> 
> Could you please let us know if we have to specify somewhere manually that we want to generate UPF v.1 or we need to use another (older) pslibrary from
> 
> http://www.qe-forge.org/gf/project/pslibrary/frs/?action=FrsReleaseBrowse&frs_package_id=41
> 
> Many thanks
> 
> 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