Naol Regassa wrote: > Hello everyone > > We were drawing band structure for the hexagonal crystal structure > along the path ?-M-K-?-A. when I want to make the spacing between M-K > narrower and ?-M wider, I increase the number of k-points along ?-M > and decrease the k-points from M-K but it didn't work. No matter what > density of k-points I made the spacing between the high symmetry > points does not vary the way that I want? Is this related with the > application that I am using i.e 'Image Magic' What do you advice me > then? On the way let me add one question. How can remove the dots on > the band structure so that it will be smooth? > NB: I am facing the same problem on the phonon dispersion. >
dear naol.. the distance between two special points is fixed by the geometry of the first brillouin zone and for the hexagonal 1BZ the length of \Gamma-M=1/(sqrt(3) a) and the length of M-K=1/(3 a) where a is the basal lattice constant. you can extract energy values and plot them wrt to k-point number (instead of k-length) to have wider or narrower looking segments, but that would not be meaningful. resul > Naol > Addis Ababa University, Materials science programe > East Africa (Ethiopia) > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum >
