Dear Stepan, Thank you very much for your email and information. 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.
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? Thanks again. Sincerely, Shubham On Wed, Jun 18, 2025 at 11:00 AM <[email protected]> wrote: > Send Wannier mailing list submissions to > [email protected] > > To subscribe or unsubscribe via the World Wide Web, visit > https://lists.quantum-espresso.org/mailman/listinfo/wannier > or, via email, send a message with subject or body 'help' to > [email protected] > > You can reach the person managing the list at > [email protected] > > When replying, please edit your Subject line so it is more specific > than "Re: Contents of Wannier digest..." > > > Today's Topics: > > 1. Re: Wannier functions storage (Stepan Tsirkin) > > > ---------------------------------------------------------------------- > > Message: 1 > Date: Tue, 17 Jun 2025 15:49:54 +0200 > From: Stepan Tsirkin <[email protected]> > To: [email protected] > Subject: Re: [Wannier] Wannier functions storage > Message-ID: <[email protected]> > Content-Type: text/plain; charset=UTF-8; format=flowed > > Dear Shubham, > > in general Wannier90 stores in the chk file the "U matrices" for each > DFT code those determine the WFs. > > If you are asking about real-space representation of WFs, those are > stored in the UNK files, if plot_WF=True. > > Regards, > > Stepan Tsirkin, > > EPFL, Switzerland, > > On 6/15/25 11:28, SHUBHAM PATEL wrote: > > Dear community, > > > > I would like to know in which file of the Wannier90 calculations the > > Wannier functions are stored? > > > > > > Thank you in advance. > > > > Sincerely, > > Shubham Patel, > > Senior Research Fellow, > > Department of Physics, > > IIT Kharagpur, > > India > > > > _______________________________________________ > > Wannier mailing list > > [email protected] > > https://lists.quantum-espresso.org/mailman/listinfo/wannier > > > ------------------------------ > > Subject: Digest Footer > > _______________________________________________ > Wannier mailing list > [email protected] > https://lists.quantum-espresso.org/mailman/listinfo/wannier > > > ------------------------------ > > End of Wannier Digest, Vol 202, Issue 5 > *************************************** >
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