[Pw_forum] the best choice for k-point

[Hanyu]

I think (1 1 8) converged very well.

On Sat, Aug 14, 2010 at 10:41 PM, Farzad Molani <farzad_c81 at yahoo.com>wrote:

>   hello QE users,
> I'm going to achieve the best kpoint and cut-off for my system. I got
> results but I do'nt know, What is the best choice for K-point?
> please help me,
> thanks in advance.?
>  energy(Ry)            k-point
> -270.57530321       1 1 3
> -270.58540932       1 1 4
> -270.58749209       1 1 5
> -270.58517276       1 1 6
> -270.58547581       1 1 7
> -270.58556388       1 1 8
> -270.58553867       1 1 9
> -270.58554333       1 1 10
>
> Farzad Molani,
> Ph.D Student,
> Department of Theoretical Physical Chemistry,
> K. N. Toosi University of Technology,
> Tehran, Iran.
> Tel.:  009891 4442 3308
> Tel.:  009821 2306 4280
> Fax: 009821 2285 3650
> Web: http://www.chem.kntu.ac.ir/~sjalili:/<http://www.chem.kntu.ac.ir/%7Esjalili:/>
>
>
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>
>


-- 
-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=**=-=**=-=**=-=*=-=*=-=*=-=*=-=*=-
 Hanyu Liu(刘寒雨),
 State key  Laboratory of Superhard Materials, Jilin University, China
 Email: liuhanyu08 at mails.jlu.edu.cn or ouuing at gmail.com
 skype: ouuing
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