[CP2K-user] [CP2K:11413] Basis Sets of Strontium

[Ahad Ali Khan]

Thanks for reply. Can you also tell me the method which is use to generate
the Basis Sets?

On Wed, 13 Mar 2019, 4:13 p.m. Rizwan Nabi, <rizwan... at gmail.com> wrote:

> Dear Ahad Ali Khan
>
> You can find the Basis set for Sr in the BASIS_MOLOPT file.
> like      ../../cp2k-6.1.0/tests/QS/BASIS_MOLOPT
>
>
>
> Regards
> Rizwan Nabi
> Senior Research Scholar,
> c/o Prof. Gopalan Rajaraman
> Department of Chemistry,
> IIT-Bombay, Powai,
> Mumbai 400076
>
>
> On Wed, Mar 13, 2019 at 3:29 PM <ahadal... at gmail.com> wrote:
>
>> Dear cp2k users,
>>
>> I am working on Strontium ferrite for various measurements. Initial
>> problem right now i am facing is the BASIS_SET (DZV-GTH-PADE) of Strontium,
>> there are no Basis Sets of Strontium. Can anyone tell me how to generate
>> Basis Sets of Strontium?
>>
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