[QE-users] XML Parser Error CPMD

[Paolo Giannozzi]

On Sun, Apr 12, 2020 at 8:40 AM Pietro Delugas <pdelugas at sissa.it> wrote:

the problem is with the pseudo files not with the xml file produced by
> cp.x.
>

actually it is in both: inside the xml file, there is a line
      <functional>SLA  PW   NOGX NOGC</functional>
where the forbidden invisible characters are visible. In order to use the
produced data, one should remove those characters everywhere: from the
pseudopotential files, from the copy of the pseudopotential files in the
.save/ directory, and from the xml file.

Happy confined Easter!

Paolo

> There is probably some hidden forbidden character in the string functional
>
> functional="SLA PW NOGX  NOGC"
>
> if you retype the string  with an editor in all your upf  files everything
> should work fine.
>
> It would look like an issue of program that generates the pseudos, only
> with the functional string, but I have been using   ONCVPSP pseudos quite
> often and never met such  issue before.
>
> kind regards
>
> Pietro
>
>
> On 11/04/20 16:13, bikash sankar kanungo wrote:
>
> While restarting a CPMD run (using cp.x), I get the following error
> message,
>
> PARSE_ERR
> 81 runParser
> abort:
>
> I believe this to be an XML parsing error, but I'm unable to find the
> source of it. More importantly, I don't get this error while restarting for
> a smaller system. I tried to perform a sanity check with xmllint, but
> didn't find anything spurious. Can you please help me identify the source
> of the error?
>
> You can access the input and restart files in this Google Drive Folder:
> https://drive.google.com/drive/folders/15VMIFGs7Vs6Ultw8uZq9893PmgoA9YTx?usp=sharing
>
> Thanks,
> Bikash
>
>
>
> --
> Bikash Kanungo
> Postdoctoral Research Fellow,
> Computational Materials Physics,
> Mechanical Engineering,
> University of Michigan
> (+1)734-741-3244
>
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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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