[CP2K-user] XC_GRID questions

[Marcella Iannuzzi]

Hello Joe,

you can find some explanation, for instance, in this paper
VandeVondele, J. *et al.* Quickstep: Fast and accurate density functional 
calculations using a mixed Gaussian and plane waves approach. *Comput Phys 
Commun* *167*, 103–128 (2005).

regards
Marcella


On Thursday, February 11, 2021 at 1:41:41 PM UTC+1 mdsi... at gmail.com 
wrote:

> Hello,
>
> Can someone give me some information on the XC_GRID section?
>
> What are the XC_DERIV and XC_SMOOTH_RHO used for?
>
> Is there any information on these settings?
>
> Thanks,
> Joe
>
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