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-boun...@lists.quantum-espresso.org> on behalf of
Pietro Davide Delugas <pdelu...@sissa.it>
*Sent:* Monday, February 6, 2023 1:24 PM
*To:* Quantum ESPRESSO users Forum <users@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"
<shehar...@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
_______________________________________________
The Quantum ESPRESSO community stands by the Ukrainian
people and expresses its concerns about the devastating
effects that the Russian military offensive has on their
country and on the free and peaceful scientific, cultural,
and economic cooperation amongst peoples
_______________________________________________
Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
users mailing list users@lists.quantum-espresso.org
https://lists.quantum-espresso.org/mailman/listinfo/users
