[CP2K-user] [CP2K:11414] Basis Sets of Strontium

[Rizwan Nabi]

Dear Ahad Ali Khan,
Sorry to say that I do not know how to generate Basis sets. You may follow
the procedure from regtests.

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 5:11 PM Ahad Ali Khan <ahadal... at gmail.com>
wrote:

> 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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