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

[jt...@gmail.com]

Hi Marcella Iannuzzi,

Thanks for the clarify!

Best regards,
JT Yang

On Friday, October 23, 2020 at 8:37:09 PM UTC+8 Marcella Iannuzzi wrote:

> 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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