[Wien] irreducible representation

[Igor Djerdj]

Dear all ,
I want to calculate bandstructure of the compound in s.g. I4/m (symmorphic s.g.) and I executed the lapw-1-band and then irrep and finally spaghetti. During this calculation, no error is reported. However, when I want to plot my final bandstructure, I only get it in direction gamm-X-M. For other directions like M-N-P-gamma there is nothing. The possible explanation would be the following what is written in the manual:"It will not work in cases of non-symmorphic spacegroups AND k-points at the surface of the BZ." So, for k-points at the surface of BZ it will not work, and therefore I can not obtain such irreducible representation of BS for mentioned directions. Is it correct?
My second enquiry is concerned primitive Brillouin zone of primitive body centered tetragonal cell. In my case for the same s. g. lattice parameters are c= 3.0 A, a =10.4 A, and if one use the programme Xcrysden to draw Brillouin zone, for conventional tetragonal I-centered lattice it looks OK (C*>a,b*), but in a case of primitive Brillouin zone one obtains c*<a*,b*. However, according to my calculation it should be also opposite like in conventinal Brillouin zone case. I attach the primitive BZ obtained by crysden.
Regards,
Igor
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