Arsenic Basis set and psuedopotentials data GTH + PADE
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.
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the CP2K-user