[Pw_forum] Can the Max number of k-points be more than 40,000?

Paolo Giannozzi paolo.giannozzi at uniud.it
Thu Oct 9 14:33:02 CEST 2014


On Thu, 2014-10-09 at 17:59 +0800, dingfu.shao wrote:

>         I want to calculate the Fermi surface nesting function, which
> needs a Fermi surface calculation with a very dense grid of kpoints.
> However, the default Max number of k-points  is 40,000. Can I increase
> the value?

from the user guide: 
"There are a few adjustable parameters in Modules/parameters.f90"
http://www.quantum-espresso.org/wp-content/uploads/Doc/user_guide/node12.html

P.
> Yours 
> DF Shao
>  
> Institute of solid state physics, CAS
> Hefei, China
>  
>  
>  
>  
> 
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-- 
 Paolo Giannozzi, Dept. Chemistry&Physics&Environment, 
 Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
 Phone +39-0432-558216, fax +39-0432-558222 




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