[QE-users] Pseudopotentials - Is this RRKJUS or TM?

Dan Gil dan.gil9973 at gmail.com
Mon Dec 3 02:12:35 CET 2018


Dear QE Users,

I am using Si.pbe-n-rrkjus_psl.1.0.0.UPF pseudopotential available on the
QE website. The filename suggests that it used RRKJUS to generate the
pseudopotential, but the contents of the file (it says "Pseudization used:
troullier-martins") suggests that it used TM instead.

Sorry if I am missing something very basic and obvious, but from reading
some guides I was under the impression that RRKJUS and TM were mutually
exclusive. Where does this pseudopotential belong?

Best Regards,

Dan Gil
PhD Candidate
Department of Chemical and Biomolecular Engineering
Case Western Reserve University
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