[QE-users] Reg : pw.x is unable to read current Pseudopotential files

Pietro Delugas pdelugas at sissa.it
Sun Oct 28 10:04:21 CET 2018


Dear Arkadeep

when you download the file you shouldn't  do   the copy and paste, the 
text in xml files is rendered in the browser and is usually different 
from the actual source.

You should instead download them with

  * right click  --> save_link_as
  * copy the link and use:
      o   wget <link>
      o curl -O <link>
  * click on the link, visualize the page source, do copy & paste


by the way, I will remove the xml header from the files, if the browser 
is not too smart they shoul be treated as text files and printed in the 
browser without any rendering.


On 28/10/18 09:23, Paolo Giannozzi wrote:
> Where have you found your PP? the proper place where to download PP's 
> is the table at pseudopotentials.quantum-espresso.org 
> <http://pseudopotentials.quantum-espresso.org>. Those PP's have a 
> proper XML format that all versions of QE can read. Some previous PP 
> files contained comments that were not compatible with XML syntax, so 
> they cannot be read by recent QE versions.
>
> Paolo
>
>
> On Sat, Oct 27, 2018 at 3:09 AM Arkadeep Marik 
> <arkadeep2physics at gmail.com <mailto:arkadeep2physics at gmail.com>> wrote:
>
>     I am currently using QE 6.3Max. Whenever I'm running pw.x code
>     output shows it is unable to read pp files. I'm downloading the
>     pps from current PSIlibrary. Can you please help me in this regard?
>
>     -- 
>     Arkadeep Marik
>     _______________________________________________
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>
>
>
> -- 
> Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
> Phone +39-0432-558216, fax +39-0432-558222
>
>
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