Hi Leon, Thank your for the kind suggestion. But can you show me how to get download of your attached jupyter notebook. Thanks again !
Regards, Kuangyia On Wed, Oct 24, 2018 at 10:38 PM <kwant-discuss-requ...@kwant-project.org> wrote: > Send Kwant-discuss mailing list submissions to > kwant-discuss@kwant-project.org > > To subscribe or unsubscribe via the World Wide Web, visit > https://mailman-mail5.webfaction.com/listinfo/kwant-discuss > or, via email, send a message with subject or body 'help' to > kwant-discuss-requ...@kwant-project.org > > You can reach the person managing the list at > kwant-discuss-ow...@kwant-project.org > > When replying, please edit your Subject line so it is more specific > than "Re: Contents of Kwant-discuss digest..." > > > Today's Topics: > > 1. plotting band structure of bulk 2D material along high > symmetry lines in the Brillouin zone (kuangyia lee) > 2. Re: plotting band structure of bulk 2D material along high > symmetry lines in the Brillouin zone (Maurer, Leon) > > > ---------------------------------------------------------------------- > > Message: 1 > Date: Wed, 24 Oct 2018 18:52:49 +0200 > From: kuangyia lee <kuangyia....@gmail.com> > To: kwant-discuss@kwant-project.org > Subject: [Kwant] plotting band structure of bulk 2D material along > high symmetry lines in the Brillouin zone > Message-ID: > <CAPVHYSmaFEHTHmKdh63u0RfWp+rJ15DP84bY== > gg-v+93w8...@mail.gmail.com> > Content-Type: text/plain; charset="utf-8" > > Dear kwant developers and users, > > I want to calculate and plot the band structure of bulk 2D material along > some high-symmetry lines in the Brillouin zone (e.g. Gamma-->K-->M--Gamma), > i.e. the 1D band structure. > > I found that someone already posted a relevant issue and some useful > solutions were also given. For example, see > > https://kwant-discuss.kwant-project.narkive.com/2fT27IJh/kwant-for-bulk-system > . > > > However, these solutions are only for calculating and plotting the full 2D > band structure in the Brillouin zone. > > Can anyone give some useful solutions to my concern? Your help is much > appreciated. > > Thank you and best regards, > Kuangyia Lee > -------------- next part -------------- > An HTML attachment was scrubbed... > URL: < > http://mailman-mail5.webfaction.com/pipermail/kwant-discuss/attachments/20181024/b7473c42/attachment-0001.html > > > > ------------------------------ > > Message: 2 > Date: Wed, 24 Oct 2018 17:27:59 +0000 > From: "Maurer, Leon" <lmau...@sandia.gov> > To: "kwant-discuss@kwant-project.org" > <kwant-discuss@kwant-project.org> > Subject: Re: [Kwant] plotting band structure of bulk 2D material along > high symmetry lines in the Brillouin zone > Message-ID: <1e98eb0e-6061-4a7f-9eb8-e4c347a1e...@sandia.gov> > Content-Type: text/plain; charset="utf-8" > > Hi Kuangyia, > > If I understand your question correctly, I have done this by extracting a > Hamiltonian from the wrapped system using hamiltonian_submatrix (with > whatever wavevector you want as an argument) and finding the eigenvalues of > that matrix. I?ve attached a jupyter notebook that uses kwant to calculate > Si?s band structure along high-symmetry directions. In the notebook, cell 6 > is the relevant one. That said, others may know a cleaner way to do this. > > That said, what is your ultimate goal? If it?s simply to compute band > structures of a bulk material, then you can just write down the matrix > without kwant and find its eigenvalues. (I?ve attached a second notebook > that does that.) I don?t think that kwant simplifies the process. If you > want to later want to do some transport simulation, then starting with > kwant could prove useful. > -Leon > > From: Kwant-discuss <kwant-discuss-boun...@kwant-project.org> on behalf > of kuangyia lee <kuangyia....@gmail.com> > Date: Wednesday, October 24, 2018 at 10:53 AM > To: "kwant-discuss@kwant-project.org" <kwant-discuss@kwant-project.org> > Subject: [EXTERNAL] [Kwant] plotting band structure of bulk 2D material > along high symmetry lines in the Brillouin zone > > Dear kwant developers and users, > I want to calculate and plot the band structure of bulk 2D material along > some high-symmetry lines in the Brillouin zone (e.g. Gamma-->K-->M--Gamma), > i.e. the 1D band structure. > > I found that someone already posted a relevant issue and some useful > solutions were also given. For example, see > https://kwant-discuss.kwant-project.narkive.com/2fT27IJh/kwant-for-bulk-system > . > > However, these solutions are only for calculating and plotting the full 2D > band structure in the Brillouin zone. > Can anyone give some useful solutions to my concern? Your help is much > appreciated. > Thank you and best regards, > Kuangyia Lee > > -------------- next part -------------- > An HTML attachment was scrubbed... > URL: < > http://mailman-mail5.webfaction.com/pipermail/kwant-discuss/attachments/20181024/e613f3bb/attachment.html > > > -------------- next part -------------- > A non-text attachment was scrubbed... > Name: Si TB sp3s kwant wraparound.ipynb > Type: application/octet-stream > Size: 52692 bytes > Desc: Si TB sp3s kwant wraparound.ipynb > URL: < > http://mailman-mail5.webfaction.com/pipermail/kwant-discuss/attachments/20181024/e613f3bb/attachment.obj > > > -------------- next part -------------- > A non-text attachment was scrubbed... > Name: Si TB sp3s.ipynb > Type: application/octet-stream > Size: 50629 bytes > Desc: Si TB sp3s.ipynb > URL: < > http://mailman-mail5.webfaction.com/pipermail/kwant-discuss/attachments/20181024/e613f3bb/attachment-0001.obj > > > > ------------------------------ > > Subject: Digest Footer > > _______________________________________________ > Kwant-discuss mailing list > Kwant-discuss@kwant-project.org > https://mailman-mail5.webfaction.com/listinfo/kwant-discuss > > > ------------------------------ > > End of Kwant-discuss Digest, Vol 62, Issue 13 > ********************************************* >
