[CP2K-user] BASIS_SET DZVP-GTH for arsenic (As)

[Nicholas Winner]

They are in BASIS_MOLOPT and BASIS_MOLOPT_UCL.
On Tuesday, March 9, 2021 at 3:09:23 AM UTC-8 art... at gmail.com wrote:

> Dear CP2K developers and users,
> I am a newbie. I would like to use CP2K to conduct MD calculations for 
> systems with As atoms but I cannot find As (DZVP-GTH-PBE ) in 
> the BASIS_SET. Could someone send me the file with BASIS_SET with DZVP-GTH 
> or TZVP-GTH-PBE for As?
> Thank you in advance.
>
> Best Regards,
> Artur
>  
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20210316/2a99fd56/attachment.htm>