[QE-developers] Pseudopotentials on QE website

ulrich.aschauer at dcb.unibe.ch ulrich.aschauer at dcb.unibe.ch
Fri Apr 6 15:51:55 CEST 2018


Dear All,

It seems that there was recently a change to the pseudopotential part of the QE website. Now all (at least those we tried) pseudos from the original QE PP library contain some extra CDATA tags in the PP_INFO section that don’t seem to play nice with actually reading the pseudos in a pw.x calculation. For the PS library potentials the CDATA tags seems to be elsewhere but they also fail.

Is this some unwanted side effect or would these be readable only with a more recent version of QE than we tried (in that case backwards compatibility would be an issue)?

Best regards,
-uli
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SNF Prof. Dr. Ulrich Aschauer
Universität Bern
Departement für Chemie und Biochemie
Freiestrasse 3
CH-3012 Bern
Tel. +41 (0)31 631 5629
ulrich.aschauer at dcb.unibe.ch<mailto:ulrich.aschauer at dcb.unibe.ch>
www.dcb.unibe.ch
Büro: N215
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