[QE-users] XML Parser Error CPMD

[bikash sankar kanungo]

Thank you so much Paolo! That fixed my problem.

On Sun, Apr 12, 2020, 3:25 AM Paolo Giannozzi <p.giannozzi at gmail.com> wrote:

> 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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