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

[dingfu.shao]

Dear Paolo and Rui,

         Thanks a lot for your help! I will change the parameter and  recompile pw.

Yours  DF Shao





dingfu.shao

Institute of solid state physics, CAS
Hefei, China

From: Paolo Giannozzi
Date: 2014-10-09 20:33
To: PWSCF Forum
Subject: Re: [Pw_forum]Can the Max number of k-points be more than 40,000？
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
>  
>  
>  
>  
> 
> ______________________________________________________________________
> dingfu.shao
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum

-- 
Paolo Giannozzi, Dept. Chemistry&Physics&Environment, 
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222 

From: Pang Rui
Date: 2014-10-09 22:40
To: PWSCF Forum
Subject: Re: [Pw_forum]Can the Max number of k-points be more than 40,000？
You can modify the parameter.f90 in Modules and recompile then try again. 
On Thu, 9 Oct 2014 17:59:43 +0800, "dingfu.shao" <dingfu.shao at gmail.com>
wrote:
> Dear QE developer,
> 
>         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?
> 
> Yours 
> DF Shao
> 
> Institute of solid state physics, CAS
> Hefei, China
> 
> 
> 
> 
> 
> 
> 
> dingfu.shao

-- 
PostDoc
Department of Physics, South University of Science and Technology of China
Shenzhen, Guangdong, PRC, 518500
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