[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 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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