[QE-users] FoX: xml_AddCharacters Error

[Mr. Sheharyar Pervez RA FES]

Can you please tell me which version of QE did you test them on?
________________________________
From: Paolo Giannozzi <paolo.giannozzi at uniud.it>
Sent: Monday, February 6, 2023 5:52 PM
To: Quantum ESPRESSO users Forum <users at lists.quantum-espresso.org>
Cc: Mr. Sheharyar Pervez RA FES <sheharyar at giki.edu.pk>
Subject: Re: [QE-users] FoX: xml_AddCharacters Error

Both files work for me

Paolo

On 2/6/23 12:46, Mr. Sheharyar Pervez RA FES wrote:
> I am not sure if that's the case. Of the two attached files doing an scf
> calculation on si.in does return an xml file but the other one returns
> the error mentioned above.
>
>
> ------------------------------------------------------------------------
> *From:* users <users-bounces at lists.quantum-espresso.org> on behalf of
> Pietro Davide Delugas <pdelugas at sissa.it>
> *Sent:* Monday, February 6, 2023 1:24 PM
> *To:* Quantum ESPRESSO users Forum <users at lists.quantum-espresso.org>
> *Subject:* Re: [QE-users] FoX: xml_AddCharacters Error
> Hello
> It's most likely a bug, hopefully one of those that were fixed in the
> newer versions.
> Regards - Pietro
>
> Il 6 feb 2023 9:20 AM, "Mr. Sheharyar Pervez RA FES"
> <sheharyar at giki.edu.pk> ha scritto:
> When running an scf calculation on QE 6.4.1, I get the following from FoX:
>
>     ERROR(FoX)
>     xml_AddCharacters: Invalid character in chars
>
>
> The calculation runs fine but no xml file is generated.  the following
> files are created:
>
>     .
>     ├── kgec.in
>     ├── qmof-f2ae0a5.save
>     │   ├── charge-density.dat
>     │   ├── data-file-schema.xml
>     │   └── paw.txt
>     ├── qmof-f2ae0a5_scf.in
>     ├── qmof-f2ae0a5_scf.out
>     └── qmof-f2ae0a5.wfc1
>
>
> I'm not sure where this invalid character comes from because the entire
> input file is in standard ascii format. How to go about solving this?
>
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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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