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<p>Dear Roxana,</p>
<p>There is no attachment to your mail - either you forgot to
attach, or the mailing list does not allow attachments. (try to
share via link to file-sharing server). So, it is hard to judge,
but the obvious reason could be that you are using SCDM, but your
nscf calculation does not include Gamma point. The error seems to
be raised by this line of the code : <br>
</p>
<p> IF (.not. found_gamma) call errore('compute_amn','No Gamma
point found.',1)<br>
</p>
<p><a class="moz-txt-link-freetext" href="https://github.com/wannier-developers/wannier90/blob/2b9973c12e85397fa9564370f6cced16f8428834/pwscf/v6.5/pw2wannier90.f90#L3423">https://github.com/wannier-developers/wannier90/blob/2b9973c12e85397fa9564370f6cced16f8428834/pwscf/v6.5/pw2wannier90.f90#L3423</a></p>
<p>which is part of "SUBROUTINE compute_amn_with_scdm"<br>
</p>
<p>The usage of pw2wannier interface is described in part 5.6 of the
user guide :
<a class="moz-txt-link-freetext" href="https://github.com/wannier-developers/wannier90/raw/v3.1.0/doc/compiled_docs/user_guide.pdf">https://github.com/wannier-developers/wannier90/raw/v3.1.0/doc/compiled_docs/user_guide.pdf</a>
<br>
</p>
<p>Also have a look at the tutorials. <br>
</p>
<p>I hope that my answer helps. <br>
</p>
<p>Best,</p>
<p>Stepan Tsirkin,</p>
<p>University of Zurich.</p>
<p><br>
</p>
<p><br>
</p>
<div class="moz-cite-prefix">On 08.06.21 01:42, Roxana Morton wrote:<br>
</div>
<blockquote type="cite"
cite="mid:CA+ncgaV6QtSDwj6PmzBcf0fdsGq8xcaRUqMsNQ6PWSJndiZ0MA@mail.gmail.com">
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<div>Dear QE and Wannier90 users,</div>
<div>I am experiencing an issue when I try to run pw2wannier.x
where I get the following error message. I am using QE 6.5 and
my workflow is attached.</div>
<div><br>
</div>
<div>from compute_amn : error # 1<br>
No Gamma point found.</div>
<div><br>
</div>
<div>Also, is there any documentation on how is the best way to
define pw2wannier.x parameters? I have not been able to find
detailed documentation on how to construct the input file (in
comparison with <a
href="https://www.quantum-espresso.org/Doc/INPUT_PW.html"
moz-do-not-send="true">pw.x documentation</a>).</div>
<div><br>
</div>
<div>Thank you,</div>
<div><br>
</div>
<div>Roxana Morton</div>
<div>PhD Student</div>
<div>University of Nevada, Reno</div>
<div>Reno, NV USA<br>
</div>
</div>
<br>
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