[QE-users] FoX: xml_AddCharacters Error

Mr. Sheharyar Pervez RA FES sheharyar at giki.edu.pk
Mon Feb 6 12:46:33 CET 2023


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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