[Pw_forum] Problem with the Band Structure Calculation

Lex Kemper lex at phys.ufl.edu
Fri Mar 6 07:38:07 CET 2009

If you plot your structure with XCrySDeN or something else, does it look

Lex Kemper
University of Florida

?? wrote:
>> Please try to point out clearly where your problem really is, otherwise noone will be able
> A mor specific problem is that did I put it correctly for I4/mmm space
> group in the strucure of "ibrav=6" and 2a 4d 4e coordinates in
> ATOM_POSITION with crystal option.Are "ibrav=6" and crystal correct?I
> though I shuold make sure this problem before checking the k_points.
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