[Pw_forum] Trying to Generate a Pseudo-Hydrogen Pseudopotential

[Vic Bermudez]

Hello Giuseppe,

    Thank you for your reply. I was already aware of the pseudo-H PPs that
are available on the QE website. These were all generated with pure a
pure-LDA (Perdew-Zunger) functional, but you mention having used the PBE
versions of these PPs. Did you construct these yourself, or are they
available somewhere ? Or are you saying that it doesn't matter at all which
functional is used for the pseudo-H PPs ?

Thank you,
Vic Bermudez

Victor M. Bermudez
Code 6876
U.S. Naval Research Laboratory
4555 Overlook Ave., S.W.
Washington, DC 20375-5347

Phone: 202-767-6728
FAX: 202-767-1165
E-mail: victor.bermudez at nrl.navy.mil
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