[Pw_forum] Generating k points for the full first brillouin zone

[Gabriele Sclauzero]

Paolo Giannozzi wrote:
> On Jul 14, 2009, at 23:21 , jtmullen at ncsu.edu wrote:
> 
>> I have a need to generate k points which cover the complete first  
>> BZ, not
>> just the irreducible BZ. I notice a subroutine in PW/ 
>> kpoint_grid.f90 which
>> returns k points in the IBZ given grid dimensions (nk1, nk2, nk3)
> 
> and in the complete BZ if you answer "t" to the question "write all k"

I think this applies for the kpoints.x program in pwtools/, not to the kpoint_grid 
subroutine. Anyway I agree that kpoints.x can be used exactly for this purpose (answering 
't', of course).

GS


> 
> P.
> ---
> Paolo Giannozzi, Dept of Physics, University of Udine
> via delle Scienze 208, 33100 Udine, Italy
> Phone +39-0432-558216, fax +39-0432-558222
> 
> 
> 
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