Dear Afsal ad Mohammad,
Thank you so much for your help!!
Regards,
Ritwik Vatsyayan
On Thu, Jun 29, 2017 at 1:44 PM, KAREEKUNNAN Afsal <af...@jaist.ac.jp>
wrote:
> Dear Ritwik,
>
> Ans-1 : The above high symmetry points are given in terms of reciprocal
> lattice vectors. So you need to use "BandLinesScale
> ReciprocalLatticeVectors". Also, please not that the coefficients of the
> point K given above should be K: (1/3,1/3,0).
>
> Ans-2 : There is no need to make a cyclic path while drawing the band
> structure. You can choose Γ->M->K as well.
>
> Thanks & Regards
> Afsal
> PhD Student
> JAIST Japan
>
> ------------------------------
> *From: *"Ritwik Vatsyayan" <ritwikvatsya...@gmail.com>
> *To: *siesta-l@uam.es
> *Sent: *Thursday, June 29, 2017 1:46:01 AM
> *Subject: *[SIESTA-L] Plotting Bandstructure in Siesta
>
> Dear Siesta Users,
> I am working on a system with a
> hexagonal lattice, and I want to plot the bandstructure for the same.
> I read online at: https://lampx.tugraz.at/~hadley/ss1/bzones/hexagonal.php
> that the high symmetry points of the first Brillouin zone of a simple
> hexagonal lattice are:
> Γ: (0,0,0)
> M: (1/2,0,0)
> K: (2/3,1/3,0)
> H: (2/3,1/3,1/2)
> A: (0,0,1/2)
> L: (1/2,0,1/2)
> These points are in the fractional format. I want to plot the
> bandstructure using these points.
> In the fdf file, we must declare the BandLinesScale. For these
> co-ordinates, would the format be : ReciprocalLatticeVectors or pi/a ?
>
> Also, for plotting the bandstructure, do we need to make a cyclic path,
> for example, Γ->M->K->Γ ? Or can we stop at Γ->M->K as well?
>
> I would be grateful if anyone can help me out in this. Thank you for your
> time.
> Regards,
> Ritwik Vatsyayan
> Pre-Final Year Undergraduate
> Electronics and Communication Engineering
> Indian Institute of Technology, Guwahati
>
>
