[Pw_forum] problems with band structure calculations for SiC between ibrav 2 and ibrav 0

Paolo Giannozzi giannozz at democritos.it
Tue Mar 27 11:04:39 CEST 2012


On Fri, 2012-03-23 at 17:20 -0600, Tram Bui wrote:

> However, I did the same calculation process using ibrav=0 to
> confirm my band structure, now I used k-point path of simple 
> cubic BZ including : X,M,R, and gamma points. But my band 
> structure do not seem to be correct. 

why?

P.
-- 
Paolo Giannozzi, IOM-Democritos and University of Udine, Italy





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