[Pw_forum] Ge.pz-hgh.UPF

Gabriel Greene gabriel.greene87 at gmail.com
Fri Oct 21 16:00:50 CEST 2016


Dear QE community,

I am wondering if it is possible to retrieve the pseudopotential generation
information of the Ge pseudopotential Ge.pz-hgh.UPF which can be downloaded
on the QE pseudopotential page?

In the PP_INFO section, it states

    Generation configuration: not available.
    Converted from CPMD format using cpmd2upf v.5.0.1 - PG 10Jul201


Which prompted me to check the CPMD website page

http://cpmd.org/downloadable-files/no-authentication/pseudo-potentials/germanium

but there I do not see a Ge Goedecker-Teter-Hutter PP generated with
the PZ-LDA functional (the closest I can see is a GTH PP generated
with the BLYP functional).


Thanks very much,


Gabriel Greene-Diniz

Research Associate,

Atomistic Simulation Centre,

School of Mathematics and Physics,

Queen's University Belfast
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20161021/0cb728a0/attachment.html>


More information about the users mailing list