[Wien] irrep

nilton at ufba.br nilton at ufba.br
Wed Nov 30 19:25:46 CET 2005


Dear wien's user

I am trying to use irrep program to determine the irreducible representation in
pbte crystal with s.o. coupling and nonmagnetic calculation. I have some
doubts:
1) In the wien user's guide there a information that the flag ipr=1 in
pbte.inso. In file case.inso this flag already have value 1, so I don't need
change it. I performed two calculation: one just s.o. coupling and another with
irrep and both band-struct figure don't change. Can anybody help me?

Nilton

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