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 _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
