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 [[email protected]] 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
