[Pw_forum] pseudopotentials GTH (abinit-cp2k format) for quantum espresso (and yambo)
Paolo Giannozzi
paolo.giannozzi at uniud.it
Tue Feb 24 22:53:05 CET 2015
On Tue, 2015-02-24 at 18:23 +0100, Manuel Pérez Jigato wrote:
>
> What is the best/simplest way to convert my abnit/cp2k formatted
> pseudopotentials (GTH) as provided by Mathias Krack
> into the UPF format required by quantum espresso?
you find them on pseudopotentials.quantum-espresso.org, selecting
as "PP Library", "Hartwigsen-Goedecker-Hutter PP". Converted from
cpmd format using upftools/cpmd2upf.f90. No warranty.
Paolo
--
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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