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Can you please tell me which version of QE did you test them on?<br>
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<div id="divRplyFwdMsg" dir="ltr"><font face="Calibri, sans-serif" style="font-size:11pt" color="#000000"><b>From:</b> Paolo Giannozzi <paolo.giannozzi@uniud.it><br>
<b>Sent:</b> Monday, February 6, 2023 5:52 PM<br>
<b>To:</b> Quantum ESPRESSO users Forum <users@lists.quantum-espresso.org><br>
<b>Cc:</b> Mr. Sheharyar Pervez RA FES <sheharyar@giki.edu.pk><br>
<b>Subject:</b> Re: [QE-users] FoX: xml_AddCharacters Error</font>
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<div class="PlainText">Both files work for me<br>
<br>
Paolo<br>
<br>
On 2/6/23 12:46, Mr. Sheharyar Pervez RA FES wrote:<br>
> I am not sure if that's the case. Of the two attached files doing an scf <br>
> calculation on si.in does return an xml file but the other one returns <br>
> the error mentioned above.<br>
> <br>
> <br>
> ------------------------------------------------------------------------<br>
> *From:* users <users-bounces@lists.quantum-espresso.org> on behalf of <br>
> Pietro Davide Delugas <pdelugas@sissa.it><br>
> *Sent:* Monday, February 6, 2023 1:24 PM<br>
> *To:* Quantum ESPRESSO users Forum <users@lists.quantum-espresso.org><br>
> *Subject:* Re: [QE-users] FoX: xml_AddCharacters Error<br>
> Hello<br>
> It's most likely a bug, hopefully one of those that were fixed in the <br>
> newer versions.<br>
> Regards - Pietro<br>
> <br>
> Il 6 feb 2023 9:20 AM, "Mr. Sheharyar Pervez RA FES" <br>
> <sheharyar@giki.edu.pk> ha scritto:<br>
> When running an scf calculation on QE 6.4.1, I get the following from FoX:<br>
> <br>
> ERROR(FoX)<br>
> xml_AddCharacters: Invalid character in chars<br>
> <br>
> <br>
> The calculation runs fine but no xml file is generated. the following <br>
> files are created:<br>
> <br>
> .<br>
> kgec.in<br>
> qmof-f2ae0a5.save<br>
> charge-density.dat<br>
> data-file-schema.xml<br>
> paw.txt<br>
> qmof-f2ae0a5_scf.in<br>
> qmof-f2ae0a5_scf.out<br>
> qmof-f2ae0a5.wfc1<br>
> <br>
> <br>
> I'm not sure where this invalid character comes from because the entire <br>
> input file is in standard ascii format. How to go about solving this?<br>
> <br>
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<br>
-- <br>
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,<br>
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy<br>
Phone +39-0432-558216, fax +39-0432-558222<br>
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