The ABINIT Users Mailing List ( CLOSED )

[Xavier Gonze <xavier.gonze@uclouvain.be>]

Dear Zhifan Chen,

The default value for kptrlen changed between 5.3.5 and 5.8.3 .
That's up to you to check which number of k points gives enough  
convergence.

Xavier

On 18 Nov 2009, at 17:27, Zhifan Chen wrote:

> Hi all:
>    I try to calculate GWA for C60. If I run under the version 5.3.5  
> (paralell)
> it creates 2 k-points (0.0 0.0 0.0, 0.5 0.5 0.5). If I run code  
> under version
> 5.8.3 (sequencial) it create 4 k-points by default. Which is the  
> correct
> k-point?
> I used kptopt=1.
>
> Zhifan Chen
> Clark Atlanta University