You must also specify the option upf_v1_format in the inputp namelist bests
On 05/13/2014 04:03 PM, 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 > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum > > -- > Dr. Lorenzo Paulatto > IdR @ IMPMC -- CNRS & Universit? Paris 6 > +33 (0)1 44 275 084 / skype: paulatz > http://www-int.impmc.upmc.fr/~paulatto/ > 23-24/4?16 Bo?te courrier 115, 4 place Jussieu 75252 Paris C?dex 05
