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<div>Hello,</div>
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<div>Thank you for your response! I apologize for not providing enough details earlier. I’m attaching the full input file (`test_minimal.in`) that is causing the error. The latest error message I’m receiving is:</div>
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<div>%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</div>
<div> Error in routine card_atomic_species (2):</div>
<div> two occurrences</div>
<div>%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</div>
<div><br>
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<div>stopping ...</div>
<div>STOP 1</div>
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<div>I’ve checked, and there seems to be only one ATOMIC_SPECIES section in my file, but the error persists. Below is the complete content of my input file:</div>
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<p dir="auto" style="white-space-collapse: preserve;">&control calculation = 'scf' /</p>
<p dir="auto" style="white-space-collapse: preserve;">&system ibrav = 1 celldm(1) = 1.0 nat = 1 ntyp = 1 ecutwfc = 20.0 /</p>
<p dir="auto" style="white-space-collapse: preserve;">&electrons /</p>
<p dir="auto" style="white-space-collapse: preserve;">ATOMIC_SPECIES H 1.00 H.pbe-rrkjus_psl.1.0.0.UPF /</p>
<p dir="auto" style="white-space-collapse: preserve;">ATOMIC_POSITIONS crystal H 0.0 0.0 0.0 /</p>
<p dir="auto" style="white-space-collapse: preserve;">K_POINTS automatic 1 1 1 0 0 0 /</p>
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<div>I’m using Quantum ESPRESSO version 7.4.1, and the pseudopotential file (`H.pbe-rrkjus_psl.1.0.0.UPF`) is located in the same directory. I’ve been manually editing the file and haven’t used copy-paste, but the error keeps occurring. Could you please help
me identify what might be causing this "two occurrences" issue? Any guidance would be greatly appreciated!</div>
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<div>Thank you,</div>
<div>Maliheh Nazari</div>
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<div id="divRplyFwdMsg" dir="ltr"><font face="Calibri, sans-serif" style="font-size:11pt" color="#000000"><b>From:</b> users <users-bounces@lists.quantum-espresso.org> on behalf of Lorenzo Paulatto <lorenzo.paulatto@cnrs.fr><br>
<b>Sent:</b> Wednesday, August 27, 2025 9:00:57 AM<br>
<b>To:</b> users@lists.quantum-espresso.org<br>
<b>Subject:</b> Re: [QE-users] Help with Error in Quantum ESPRESSO 7.4.1</font>
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<p>Please provide the exact input that is causing the error if we want us to fix, the snippets you are pasting do not provide enough information.</p>
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<p>kind regards<br>
</p>
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<div class="moz-cite-prefix">On 26/08/2025 16:24, Maliheh Nazari wrote:<br>
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Yes it is. I checked many times. </div>
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<div id="x_divRplyFwdMsg" dir="ltr"><font face="Calibri, sans-serif" color="#000000" style="font-size:11pt"><b>From:</b> Paolo Giannozzi
<a class="moz-txt-link-rfc2396E" href="mailto:paolo.giannozzi@uniud.it"><paolo.giannozzi@uniud.it></a><br>
<b>Sent:</b> Tuesday, August 26, 2025 3:23:15 PM<br>
<b>To:</b> Maliheh Nazari; Quantum ESPRESSO users Forum<br>
<b>Subject:</b> Re: [QE-users] Help with Error in Quantum ESPRESSO 7.4.1</font>
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<div class="PlainText">A backslash (/) must be ONLY at the end of a namelist.<br>
<br>
On 8/26/25 16:20, Maliheh Nazari wrote:<br>
> Hello,<br>
> <br>
> Thanks for the help with &electrons. I fixed it, but now I get <br>
> "card_atomic_species (2): two occurrences" even though my file has only <br>
> one ATOMIC_SPECIES. I’m checking for hidden issues. Any suggestions?<br>
> <br>
> Best regards,<br>
> Maliheh Nazari<br>
> <br>
> ------------------------------------------------------------------------<br>
> *From:* Paolo Giannozzi <a class="moz-txt-link-rfc2396E" href="mailto:paolo.giannozzi@uniud.it">
<paolo.giannozzi@uniud.it></a><br>
> *Sent:* Tuesday, August 26, 2025 1:41:09 PM<br>
> *To:* Quantum ESPRESSO users Forum; Maliheh Nazari<br>
> *Subject:* Re: [QE-users] Help with Error in Quantum ESPRESSO 7.4.1<br>
> On 8/26/25 14:16, Maliheh Nazari wrote:<br>
>> <br>
>> I am encountering the error "Error in routine read_namelists (1): bad <br>
>> line in namelist &electrons: /" while using a simple input file in <br>
>> Quantum ESPRESSO 7.4.1.<br>
> <br>
> there is no &electrons namelist in your input. You need one, even if empty<br>
> <br>
> -- <br>
> Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,<br>
> Univ. Udine, via delle Scienze 208, 33100 Udine Italy, +39-0432-558216<br>
> <br>
<br>
-- <br>
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,<br>
Univ. Udine, via delle Scienze 208, 33100 Udine Italy, +39-0432-558216<br>
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<div class="moz-signature">-- <br>
<small>Dr. Lorenzo Paulatto<br>
IR IMPMC - CNRS UMR 7590 / Sorbonne Université / MNHN <br>
phone: +33 (0)1 442 79822 / telegram: lpaulatto<br>
<a href="http://www.impmc.upmc.fr/~paulatto/" class="moz-txt-link-freetext">http://www.impmc.upmc.fr/~paulatto/</a> -
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