[CP2K-user] [CP2K:15380] BASIS SETS

[sumit agrawal]

Thanks for the reply!!!

Yes we can use it. But how to insert two basis set files in the input file?
Here I am attaching my input file. In this file I am using the BASIS_MOLOPT
basis set for carbon and oxygen. Now I also incorporate GTH_BASIS_SETS for
argon atoms. Can we insert both the basis set files?  If yes, can you
please tell me how?



Thanks,
sumit

On Sun, May 16, 2021 at 1:18 PM Tahere Kheshti <tahere... at gmail.com>
wrote:

> Dear Sumit
> We can use different basis sets for all atoms.
>
> regards
>
> Tahere
>
> On Sun, May 16, 2021 at 11:12 AM sumit agrawal <sumitag... at gmail.com>
> wrote:
>
>> Hii,
>>
>> Can we use two BASIS SETS files (BASIS_MOLOPT and GTH_BASIS_SETS) and one
>> POTENTIAL (GTH_POTENTIAL) file for my system?
>>
>> Since my system contains Ar, C, O atoms. In BASIS_MOLOPT I am
>> getting TZV2P-MOLOPT-GTH basis sets for C and O. But for Ar i want to use
>> the TZVP-GTH basis set, which is available in GTH_BASIS_SETS.
>>
>> Please help!!
>>
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