[Wien] Large klist file errors

tran at theochem.tuwien.ac.at tran at theochem.tuwien.ac.at
Fri Aug 24 16:37:48 CEST 2018


Hi,

is there an error message?

FT

On Friday 2018-08-24 16:31, Lukasz Plucinski wrote:

>Date: Fri, 24 Aug 2018 16:31:49
>From: Lukasz Plucinski <pluto at physics.ucdavis.edu>
>Reply-To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at>
>To: wien at zeus.theochem.tuwien.ac.at
>Subject: [Wien] Large klist file errors
>
> Dear All,
>
> I tried 160000 k-points (400x400) klist_band file, but I am getting errors, 
> and together with these errors hundreds little output files are produced. 
> 300x300 klist file seems to work, perhaps 100000 k-points is a limit for a 
> klist_band?
>
> Is there a way to fix this other than preparing klists manually?
>
> Best,
> Lukasz
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