[CP2K-user] [CP2K:18299] basis set exchange

Rajendra Maharjan ryandramaharjan at gmail.com
Mon Jan 9 18:13:41 UTC 2023


Hi Nikhil,
I am looking for oxygen and hydrogen atoms.
Thank You for you response.

Regards,
Rajendra Maharjan

On Sunday, January 8, 2023 at 9:10:47 AM UTC-6 scin... at gmail.com wrote:

> For which atom you are looking for basis set?
>
> On Sat, Jan 7, 2023 at 11:05 PM Rajendra Maharjan <ryandra... at gmail.com> 
> wrote:
>
>> Greetings,
>> I do not know if is it correct to ask, is there any basis set that is 
>> equivalent to CP2K TZV2P-GTH to Gaussian program?
>> Even I looked in 'Basis Set Exchange' website, it does not enlist 
>> TZV2P-GTH basis set.
>>
>> Thank You
>>
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>>
>
>
> -- 
> *Regards,*
> *Dr.  Nikhil Maroli, PhD*
> *IoE-Post Doctoral Fellow                                *
> *Center for Condensed Matter Theory,*
> *Department of Physics, Indian Institute of Science,*
> *Bangalore 560012, Karnataka, INDIA.*
>

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