[CP2K-user] is GPW used when some author gave no special info?

Marcella Iannuzzi marci... at gmail.com
Fri Oct 23 12:37:09 UTC 2020

Dear JT Yang,

GPW is the default DFT method. 
When people use PP, GPW is the method of choice in most of the cases.
If not specified I would assume GPW, though GAPW with PP should give the 
same results.
Kind regards

On Friday, October 23, 2020 at 2:32:49 PM UTC+2 jt... at gmail.com wrote:

> Hi,
> Is GPW used when some author gave no special info?
> I've seen many papers published with computation details *'valence 
> electrons represent with xx Gaussian basis and core electrons with xx GTH 
> PP''  *and no one word about GPW or GAPW , may this question is too 
> simple but i'm just wonder...
> Is that a convention when someone didn't mention it means "GPW used"?
> Many thanks,
> JT Yang
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