[Pw_forum] Getting the points for the bandstructure path

Paolo Giannozzi giannozz at nest.sns.it
Tue May 15 19:11:00 CEST 2007

On May 14, 2007, at 22:24 , Brad Malone wrote:

> Hi, I was wondering if there was any script included in pwSCF which  
> could be used to generated the set of points along the line that  
> one wanted to plot the bandstructure.  In example 5 I see that the  
> points have to be given explicitly in order to calculate the BS,  
> and I just want to know if pwSCF has any tools to calculate those  
> points or whether I should just write the script myself.

I think there is some facility in XCrysDen that allows to produce a list
of k-points along selected high-symmetry lines

Paolo Giannozzi, Democritos and University of Udine, Italy

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