[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 |
| c/o: SISSA & CNR-INFM Democritos, |
| via Beirut 2-4, 34014 Trieste (Italy) |
| email: sclauzer at sissa.it |
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