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    <p>Hello,</p>
    <p>you can either use celldm — and in this case, do not forget to
      specify celldm(1) — or you can use <br>
    </p>
    <p>   CELL_PARAMETERS angstrom</p>
    <p>but not both.</p>
    <p><br>
    </p>
    <p>hth<br>
    </p>
    <p><br>
    </p>
    <div class="moz-cite-prefix">On 2/15/23 15:23, Mr. Sheharyar Pervez
      RA FES wrote:<br>
    </div>
    <blockquote type="cite"
cite="mid:AS2PR07MB9100582EF1340138FD93E519F6A39@AS2PR07MB9100.eurprd07.prod.outlook.com">
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        I am trying to do a vc-relax calculation but I keep getting the
        error:</div>
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        <blockquote style="margin-top:0;margin-bottom:0">     Error in
          routine  iosys (1):
          <div class="ContentPasted2">      invalid lattice parameters (
            celldm or a )</div>
        </blockquote>
        <br>
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        serif; font-size: 12pt; color: rgb(0, 0, 0); background-color:
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        The complete input file is attached but the celldm portion of my
        file is as follows:</div>
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        serif; font-size: 12pt; color: rgb(0, 0, 0); background-color:
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        <br>
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        ibrav=12,<br>
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        serif; font-size: 12pt; color: rgb(0, 0, 0); background-color:
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        celldm(2)=1.150954372306601,
        <div class="ContentPasted1">celldm(3)=1.7205901956662084,</div>
        celldm(4)=-2.165080936914835e-06,<br>
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        <br>
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        serif; font-size: 12pt; color: rgb(0, 0, 0); background-color:
        rgb(255, 255, 255);" class="elementToProof">
        I computed these values using the description in pw.x where for
        ibrav = 12<br>
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        serif; font-size: 12pt; color: rgb(0, 0, 0); background-color:
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        <pre style="margin-bottom:-1em" class="ContentPasted4 elementToProof"> 12          Monoclinic P, unique axis c     celldm(2)=b/a
                                             celldm(3)=c/a,
                                             celldm(4)=cos(ab)</pre>
        <br>
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        <br>
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        serif; font-size: 12pt; color: rgb(0, 0, 0); background-color:
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        The values for a, b, and gamma are in the cif file:<br>
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          <br>
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          _cell_length_a   6.62096695
          <div class="ContentPasted0">_cell_length_b   7.62043086</div>
          <div class="ContentPasted0">_cell_length_c   11.39197082</div>
          <div class="ContentPasted0">_cell_angle_alpha   89.99974724</div>
          <div class="ContentPasted0">_cell_angle_beta   97.26688153</div>
        </div>
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          serif; font-size: 12pt; color: rgb(0, 0, 0); background-color:
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          _cell_angle_gamma   90.00012405</div>
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        <br>
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        Was there anything else I was supposed to do?</div>
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        <br>
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      <pre class="moz-quote-pre" wrap="">_______________________________________________
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people and expresses its concerns about the devastating
effects that the Russian military offensive has on their
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and economic cooperation amongst peoples
_______________________________________________
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users mailing list <a class="moz-txt-link-abbreviated" href="mailto:users@lists.quantum-espresso.org">users@lists.quantum-espresso.org</a>
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    </blockquote>
    <div class="moz-signature">-- <br>
      <small>Dr. Lorenzo Paulatto<br>
        IdR @ IMPMC - CNRS UMR 7590 & Sorbonne Université<br>
        phone: +33 (0)1 442 79822 / skype: paulatz<br>
        <a href="http://www.impmc.upmc.fr/~paulatto/"
          class="moz-txt-link-freetext">http://www.impmc.upmc.fr/~paulatto/</a>
        - <a href="https://anharmonic.github.io/"
          class="moz-txt-link-freetext">https://anharmonic.github.io/</a><br>
        23-24/423 B115, 4 place Jussieu 75252 Paris CX 05<small></small></small></div>
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