[Wien] Klist for tetragonal structure

[Peter Blaha]

> I'm a novice wien user. I have to draw the band structure for some materials
> with diffrent crystall structure. It was succesful for the cubic and
> hexagonal ones and comparable to those I done with LMTO method. However, for
> tetragonal structure, I didn't found a klist file that contain the high
> symetry points, I tries to prepare one manualy, but the result was very
> diffrent from my previous work. I expect that the error come from a bad
> klist file...
> if any one has already succefully obtain band structure for tetragonal
> structure, please can you share your klist file to help me saving time and
> energy!

Get yourself a version of XCRYSDEN (see UG). With this program you can
create a nice klist for bandstructure plotting.

                                      P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
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