<div dir="ltr"><div>Dear Stepan,</div><div>Thank you very much for your email and information.</div><div>I want to access the WFs in a data form so that I can use that for my investigation. The UNK files are binary files - do you know how I can access the data stored in the UNK files? Indeed I can plot the WFs.</div><div><br></div><div>I have another query. Suppose I can't access the WFs data. In that case can I diagonalize the Wannier Hamiltonian matrices and calculate the eigenvectors. Are these eigenvectors similar to the Wannier functions I am looking for?</div><div><br></div><div>Thanks again.</div><div><br></div><div>Sincerely,</div><div>Shubham </div></div><br><div class="gmail_quote gmail_quote_container"><div dir="ltr" class="gmail_attr">On Wed, Jun 18, 2025 at 11:00 AM <<a href="mailto:wannier-request@lists.quantum-espresso.org">wannier-request@lists.quantum-espresso.org</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">Send Wannier mailing list submissions to<br>
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1. Re: Wannier functions storage (Stepan Tsirkin)<br>
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Message: 1<br>
Date: Tue, 17 Jun 2025 15:49:54 +0200<br>
From: Stepan Tsirkin <stepan.tsirkin@ehu.eus><br>
To: <a href="mailto:wannier@lists.quantum-espresso.org" target="_blank">wannier@lists.quantum-espresso.org</a><br>
Subject: Re: [Wannier] Wannier functions storage<br>
Message-ID: <dbf9ad19-a507-48b1-b046-59679b035c56@ehu.eus><br>
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<br>
Dear Shubham,<br>
<br>
in general Wannier90 stores in the chk file the "U matrices" for each <br>
DFT code those determine the WFs.<br>
<br>
If you are asking about real-space representation of WFs, those are <br>
stored in the UNK files, if plot_WF=True.<br>
<br>
Regards,<br>
<br>
Stepan Tsirkin,<br>
<br>
EPFL, Switzerland,<br>
<br>
On 6/15/25 11:28, SHUBHAM PATEL wrote:<br>
> Dear community,<br>
><br>
> I would like to know in which file of the Wannier90 calculations the <br>
> Wannier functions are stored?<br>
><br>
><br>
> Thank you in advance.<br>
><br>
> Sincerely,<br>
> Shubham Patel,<br>
> Senior Research Fellow,<br>
> Department of Physics,<br>
> IIT Kharagpur,<br>
> India<br>
><br>
> _______________________________________________<br>
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