[QE-developers] Pseudopotentials on QE website

[ulrich.aschauer at dcb.unibe.ch]

Dear Pietro,

Thanks a lot. We had already started deleting the tags but this will help avoid confusion.

Best regards,
-uli
--------------------------------------------------------------
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<http://www.dcb.unibe.ch>
Büro: N215
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On 6 Apr 2018, at 22:32, Pietro Delugas <pdelugas at sissa.it<mailto:pdelugas at sissa.it>> wrote:


I replaced the pseudo files, now they are readable by previous pw versions

On 06/04/2018 16:45, Pietro Delugas wrote:

Sorry Uli and thanks for reporting the issue.

my fault. I made tests with recent versions and I overlooked previous ones. The previous xml reader is not reading correctly the CDATA sections.

The best thing to do is to drop using the CDATA for a long while and write backward compatible pseudos again.

I will fix the pseudos as soon as possible. In the meantime just wipe away the whole pp_info section before using the pseudo an they  will work  again.

Sorry for the incovenience.

   Pietro

On 06/04/2018 15:51, ulrich.aschauer at dcb.unibe.ch<mailto:ulrich.aschauer at dcb.unibe.ch> wrote:
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
--------------------------------------------------------------
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<http://www.dcb.unibe.ch/>
Büro: N215
--------------------------------------------------------------





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