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<DIV><FONT face=Arial size=2>Dear all ,</FONT></DIV>
<DIV><FONT face=Arial size=2>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:"<FONT
face=URWPalladioL-Roma size=2>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?</FONT></FONT></DIV>
<DIV><FONT face=Arial size=2>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.</FONT></DIV>
<DIV><FONT face=Arial size=2>Regards,</FONT></DIV>
<DIV><FONT face=Arial size=2>Igor</FONT></DIV></FONT></DIV></BODY></HTML>