[Pw_forum] UPF version 1 pseudopotentials

Vaida Arcisauskaite vaida.arcisauskaite at chem.ox.ac.uk
Wed Apr 30 12:23:50 CEST 2014

Dear Paolo

Many thanks for your reply.

By the way, is there any other way how to obtain UPF v.1 PPs than generating them using ld1.x code?

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

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

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

More information about the users mailing list