Arsenic Basis set and psuedopotentials data GTH + PADE

Matt W mattwa... at gmail.com
Tue Apr 17 19:48:15 CEST 2018


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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