What basis set for GAPW calculations?

Dawid das add... at googlemail.com
Sun Jun 10 07:54:58 UTC 2018


Dear Marcella,

Thank you for your answer.

Best wishes,
Dawid Grabarek

W dniu niedziela, 10 czerwca 2018 09:51:08 UTC+2 użytkownik Marcella 
Iannuzzi napisał:
>
> Dear Dawid
>
> with GAPW you can use all electron basis sets together with potential ALL
> Regards
> Marcella
>
>
> On Sunday, June 10, 2018 at 9:15:46 AM UTC+2, Dawid das wrote:
>>
>> Dear CP2K Users,
>>
>> As in the topic my question is what basis sets can I use for BLYP/GAPW 
>> calculations? Since this is augmented
>> GPW approach, can I use only "allelectron"  basis sets that I can find in 
>> *BASIS_SET* files?
>>
>> Best wishes,
>> Dawid Grabarek
>>
>
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