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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>
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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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ibrav=12,<br>
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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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I computed these values using the description in pw.x where for ibrav = 12<br>
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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>
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The values for a, b, and gamma are in the cif file:<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>
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_cell_angle_gamma 90.00012405</div>
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Was there anything else I was supposed to do?</div>
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