abinit / abipy

Open-source library for analyzing the results produced by ABINIT
http://abinit.github.io/abipy
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Wrong pseudopotential format for Ge, Sb, Te on pseudodojo #169

Closed exenGT closed 3 years ago

exenGT commented 6 years ago

Dear Abinit developers,

I have posted this issue on the pseudo_dojo branch as well as on abinit forum 9 days ago, but so far this has not been resolved yet. Can someone here help? Thanks!

Issue: For elements Ge, Sb, Te, the PBEsol version of fully-relativistic, UPF pseudopotentials on pseudo dojo are of the wrong format (the file extension is ".upf", but the content is of the psp8 format). This is the case for both standard and stringent pseudos.

Best regards, Jingyang