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As others tried to point out, the issue is with wrong placement of “/“. Try this:
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<div>&control </div>
<div>calculation = 'scf’ </div>
<div>/</div>
<div>&system </div>
<div>ibrav = 1 </div>
<div>celldm(1) = 1.0 </div>
<div>nat = 1 </div>
<div>ntyp = 1 </div>
<div>ecutwfc = 20.0</div>
<div> /</div>
<div>&electrons </div>
<div>/</div>
<div>ATOMIC_SPECIES </div>
<div>H 1.00 H.pbe-rrkjus_psl.1.0.0.UPF </div>
<div>ATOMIC_POSITIONS crystal </div>
<div>H 0.0 0.0 0.0 </div>
<div>K_POINTS automatic </div>
<div>1 1 1 0 0 0 </div>
<div><br>
</div>
<div>Cheers,</div>
<div>Vahid</div>
<div><br>
<blockquote type="cite">
<div>On Aug 27, 2025, at 7:46 AM, Maliheh Nazari <maliheh.nazari@ua.pt> wrote:</div>
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<span style="font-weight: bold; font-size: 12px;">CAUTION:</span><span class="Apple-converted-space"> </span>The Sender of this email is not from within Dalhousie.</div>
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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>
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</div>
<div>stopping ...</div>
<div>STOP 1</div>
<div><br>
</div>
<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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<div style="margin-top: 0px; margin-bottom: 0px;">&control calculation = 'scf' /</div>
<div style="margin-top: 0px; margin-bottom: 0px;">&system ibrav = 1 celldm(1) = 1.0 nat = 1 ntyp = 1 ecutwfc = 20.0 /</div>
<div style="margin-top: 0px; margin-bottom: 0px;">&electrons /</div>
<div style="margin-top: 0px; margin-bottom: 0px;">ATOMIC_SPECIES H 1.00 H.pbe-rrkjus_psl.1.0.0.UPF /</div>
<div style="margin-top: 0px; margin-bottom: 0px;">ATOMIC_POSITIONS crystal H 0.0 0.0 0.0 /</div>
<div style="margin-top: 0px; margin-bottom: 0px;">K_POINTS automatic 1 1 1 0 0 0 /</div>
<div><br>
</div>
<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;"><b>From:</b><span class="Apple-converted-space"> </span>users <<a href="mailto:users-bounces@lists.quantum-espresso.org">users-bounces@lists.quantum-espresso.org</a>>
on behalf of Lorenzo Paulatto <<a href="mailto:lorenzo.paulatto@cnrs.fr">lorenzo.paulatto@cnrs.fr</a>><br>
<b>Sent:</b><span class="Apple-converted-space"> </span>Wednesday, August 27, 2025 9:00:57 AM<br>
<b>To:</b><span class="Apple-converted-space"> </span><a href="mailto:users@lists.quantum-espresso.org">users@lists.quantum-espresso.org</a><br>
<b>Subject:</b><span class="Apple-converted-space"> </span>Re: [QE-users] Help with Error in Quantum ESPRESSO 7.4.1</font>
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<div>
<div style="margin-top: 0px; margin-bottom: 0px;">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.</div>
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<div style="margin-top: 0px; margin-bottom: 0px;">kind regards<br>
</div>
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</div>
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</div>
<div class="moz-cite-prefix">On 26/08/2025 16:24, Maliheh Nazari wrote:<br>
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<blockquote type="cite" cite="mid:51ab1c3f586c4924b952e105df88e76c@ua.pt">
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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" style="font-size: 11pt;"><b>From:</b><span class="Apple-converted-space"> </span>Paolo Giannozzi<span class="Apple-converted-space"> </span><a class="moz-txt-link-rfc2396E" href="mailto:paolo.giannozzi@uniud.it"><paolo.giannozzi@uniud.it></a><br>
<b>Sent:</b><span class="Apple-converted-space"> </span>Tuesday, August 26, 2025 3:23:15 PM<br>
<b>To:</b><span class="Apple-converted-space"> </span>Maliheh Nazari; Quantum ESPRESSO users Forum<br>
<b>Subject:</b><span class="Apple-converted-space"> </span>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>
><span class="Apple-converted-space"> </span><br>
> Thanks for the help with &electrons. I fixed it, but now I get<span class="Apple-converted-space"> </span><br>
> "card_atomic_species (2): two occurrences" even though my file has only<span class="Apple-converted-space"> </span><br>
> one ATOMIC_SPECIES. I’m checking for hidden issues. Any suggestions?<br>
><span class="Apple-converted-space"> </span><br>
> Best regards,<br>
> Maliheh Nazari<br>
><span class="Apple-converted-space"> </span><br>
> ------------------------------------------------------------------------<br>
> *From:* Paolo Giannozzi<span class="Apple-converted-space"> </span><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>
>><span class="Apple-converted-space"> </span><br>
>> I am encountering the error "Error in routine read_namelists (1): bad<span class="Apple-converted-space"> </span><br>
>> line in namelist &electrons: /" while using a simple input file in<span class="Apple-converted-space"> </span><br>
>> Quantum ESPRESSO 7.4.1.<br>
><span class="Apple-converted-space"> </span><br>
> there is no &electrons namelist in your input. You need one, even if empty<br>
><span class="Apple-converted-space"> </span><br>
> --<span class="Apple-converted-space"> </span><br>
> Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,<br>
> Univ. Udine, via delle Scienze 208, 33100 Udine Italy, +39-0432-558216<br>
><span class="Apple-converted-space"> </span><br>
<br>
--<span class="Apple-converted-space"> </span><br>
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,<br>
Univ. Udine, via delle Scienze 208, 33100 Udine Italy, +39-0432-558216<br>
<br>
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<pre wrap="" class="moz-quote-pre">_______________________________________________________________________________
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</blockquote>
<div class="moz-signature">--<span class="Apple-converted-space"> </span><br>
<small>Dr. Lorenzo Paulatto<br>
IR IMPMC - CNRS UMR 7590 / Sorbonne Université / MNHN<span class="Apple-converted-space"> </span><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><span class="Apple-converted-space"> </span>-<span class="Apple-converted-space"> </span><a href="https://anharmonic.github.io/" class="moz-txt-link-freetext">https://anharmonic.github.io/</a><br>
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Quantum ESPRESSO Foundation stands in solidarity with all civilians worldwide who are victims of terrorism, military aggression, and indiscriminate warfare.</span><br style="caret-color: rgb(0, 0, 0); font-family: Helvetica; font-size: 14px; font-style: normal; font-variant-caps: normal; font-weight: 400; letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; text-decoration: none;">
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