[Pw_forum] k points in epsilon.x

Gabriele Sclauzero sclauzer at sissa.it
Mon Oct 12 09:10:27 CEST 2009


dev sharma wrote:
> hi 2 all,
> 
>  I have one question. In epsilon.x, the k points is not automatic 
> option. Sir, means how to give the K points option i.e. we have to give 
> only irreducible k points or like for the calculation ='bands' , we have 
> give the path (like G{0,0,0}-->X(0.5,0,0)). If we have to give the  
> irreducible points , how to calculate those points ???? can i do this , 
> that run the pw.x with a mesh like 4*4*4 grid  and the number of k 
> points in the scf output are the required k points

Never used this utility, so maybe my advice is useless: are you sure that epsilon.x does 
need a k-point grid on input? For what purpose are you using the program? Do you know what 
it computes? If not, please look at the documentation in Doc/eps_max.tex.


GS


PS: Please always sign your mails with your name and affiliation. Thanks



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| Gabriele Sclauzero, PhD Student                  |
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