Arsenic Basis set and psuedopotentials data GTH + PADE

Vikas Sharma vshar... at doonuniversity.ac.in
Tue Apr 17 17:56:21 UTC 2018


thanks for helping out.
it meant a lot to me.
thanks again.

vikas

On Tuesday, April 17, 2018 at 11:18:15 PM UTC+5:30, Matt W wrote:
>
> You can find MOLOPT type basis sets in BASIS_MOLOPT and BASIS_MOLOPT_UCL 
> and pseudopotentials in GTH_POTENTIALS. Both are in the data directory of 
> the standard distribution. 
>
> On Tuesday, April 17, 2018 at 6:40:08 PM UTC+1, Vikas Sharma wrote:
>>
>> Looking for the basis set and pp data (GTH + PADE) for simulations in 
>> cp2k.
>> kindly help with where/how to find them.
>>
>> thanks in advance.
>> Dr, Vikas Sharma, Dehradun, India.
>>
>
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