<div dir="ltr"><div>Thanks for your reply. </div><div>Here is the rest of the input file: </div>CELL_PARAMETERS angstrom<br>   8.209492021   0.000000000   0.000000000<br>   0.000000000   8.209492021   0.000000000<br>   0.000000000   0.000000000   8.209492223<br>ATOMIC_POSITIONS crystal<br>Zn            0.2515010580        0.2515010580        0.2484989211<br>Zn            0.2515010580        0.2515010580        0.7515010789<br>Zn            0.2515010580        0.7484989420        0.2484989211<br>Zn            0.2515010580        0.7484989420        0.7515010789<br>Zn            0.7484989420        0.2515010580        0.2484989211<br>Zn            0.7484989420        0.2515010580        0.7515010789<br>Zn            0.7484989420        0.7484989420        0.2484989211<br>Zn            0.7484989420        0.7484989420        0.7515010789<br>Ag            0.0000000000        0.0000000000        0.0000000000<br>Ag            0.0000000000        0.0000000000        0.5000000000<br>Ag            0.0000000000        0.5000000000        0.0000000000<br>Ag            0.0000000000        0.5000000000        0.5000000000<br>Ag            0.5000000000        0.0000000000        0.0000000000<br>Ag            0.5000000000        0.0000000000        0.5000000000<br>Ag            0.5000000000        0.5000000000        0.5000000000<br>F             0.0000000000        0.2481105614        0.2518894325<br>F             0.0000000000        0.2481105614        0.7481105675<br>F             0.0000000000        0.7518894386        0.2518894325<br>F            -0.0000000000        0.7518894386        0.7481105675<br>F             0.5000000000        0.2392764574        0.2607235444<br>F             0.5000000000        0.2392764574        0.7392764556<br>F             0.5000000000        0.7607235426        0.2607235444<br>F             0.5000000000        0.7607235426        0.7392764556<br>F             0.2481105614        0.0000000000        0.2518894325<br>F             0.2481105614        0.0000000000        0.7481105675<br>F             0.2392764574        0.5000000000        0.2607235444<br>F             0.2392764574        0.5000000000        0.7392764556<br>F             0.7518894386        0.0000000000        0.2518894325<br>F             0.7518894386        0.0000000000        0.7481105675<br>F             0.7607235426        0.5000000000        0.2607235444<br>F             0.7607235426        0.5000000000        0.7392764556<br>F             0.2392764575        0.2392764575        0.0000000000<br>F             0.2481105620        0.2481105620        0.5000000000<br>F             0.2392764575        0.7607235425        0.0000000000<br>F             0.2481105620        0.7518894380        0.5000000000<br>F             0.7607235425        0.2392764575        0.0000000000<br>F             0.7518894380        0.2481105620        0.5000000000<br>F             0.7607235425        0.7607235425        0.0000000000<br>F             0.7518894380        0.7518894380        0.5000000000<br>K_POINTS {automatic}<br>10 10 10   0 0 0<br><div><br></div><div>----</div><div><p>~Alex C, Ph.D.</p><p>California State University</p></div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Tue, Sep 24, 2024 at 2:42 AM Paolo Giannozzi <<a href="mailto:paolo.giannozzi@uniud.it">paolo.giannozzi@uniud.it</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex">Hard to say without access to complete data (atomic positions notably). <br>
In my experience almost all symmetry-related problems arise from the <br>
usage of lattice vectors and atomic positions that are close to being <br>
symmetric but aren't exactly so<br>
<br>
Paolo<br>
<br>
On 9/23/24 17:40, Midnight_Echoes wrote:<br>
<br>
> <br>
> Dear QE Developers,<br>
> <br>
> I hope this message finds you well. I am currently using the |projwfc.x| <br>
> tool in Quantum ESPRESSO version 7.3.1 and encountered the following error:<br>
> <br>
> Error in routine d_matrix_so(1):<br>
> |D_S (j=1/2) for this symmetry operation is not unitary |<br>
> <br>
> I would like to know if this issue is a known bug or if it may be <br>
> related to my input parameters. I attached the inputs I'm using<br>
> <br>
> I would greatly appreciate any guidance you can provide regarding this <br>
> issue. Thank you for your assistance!<br>
> <br>
> <br>
> ~Alex C, Ph.D.<br>
> <br>
> California State University<br>
> <br>
> <br>
> ________________________________________________<br>
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>   and expresses its concerns about the devastating effects that<br>
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> amongst peoples.<br>
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<br>
-- <br>
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,<br>
Univ. Udine, via delle Scienze 206, 33100 Udine Italy, +39-0432-558216<br>
X SCUOLA ESTIVA DI ENERGIE RINNOVABILI <a href="https://scuola-rinnovabili.uniud.it/" rel="noreferrer" target="_blank">https://scuola-rinnovabili.uniud.it/</a><br>
</blockquote></div>