[Wien] Large klist file errors

Gavin Abo gsabo at crimson.ua.edu
Sat Aug 25 02:50:49 CEST 2018


I believe 100,000 k-points was the set limit:

https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg15219.html

On 8/24/2018 8:31 AM, Lukasz Plucinski wrote:
> 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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