mpb space grid sampling and symmetry
Amnon Willinger <[email protected]> Wed, 14 Nov 2012 12:06:36 +0200
| Newsgroups | gmane.comp.science.photonic-bands |
|---|---|
| Message-ID | <[email protected]> |
Hello Steven, all veterans and all proffesional mpb users. I try to implement the brillouin symmetries of differnet crystal types, because I need to sample a volume of k points in the first brillouin zone, so I want to comput only for k points inside the volume of the irreduicble brillouin zone. In order to implement rotation symmetry or mirror symmetry I need to know how the fields and power output h5 files are sampled for 3D space grid. I know that given a resolution of N, and lattice basis R1, R2, R3, mpb samples r=n1*R1+n2*R2+n3*R3, where there are NxNxN samples. I want to know how n1,n2,n3 are chosen, so I can implement roatation and mirror operators on the h5 fields and power distribution files. Is it n1=-N/2:N/2-1 or somethjing like that? I know I can use mpb-data to rearrange the resolution and smapling grids, but it doesn't give any information on how the grid is sampled. thanks in advance Amnon ---------- Walla! Mail - Get your free unlimited mail today _______________________________________________ mpb-discuss mailing list [email protected] http://ab-initio.mit.edu/cgi-bin/mailman/listinfo/mpb-discuss