[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
Marcella
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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