[CP2K-user] [CP2K:18299] basis set exchange
Rajendra Maharjan
ryandramaharjan at gmail.com
Mon Jan 9 18:46:26 UTC 2023
Hi Dr. Nikhil,
I am looking for oxygen and hydrogen atoms as a simple test.
Thank You for your 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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