[CP2K-user] [CP2K:19295] Re: Basis functions in quickstep and atomic codes

Matt Watkins mattwatkinsuk at gmail.com
Wed Oct 4 06:15:22 UTC 2023


Sorry, not sure what you mean? Do you mean whether the exponents of the 
functions follow a geometric pattern or somthing like that?

On Thursday, 21 September 2023 at 10:26:02 UTC+1 chaizi... at gmail.com wrote:

> Dear CP2K developers,
>
> I would like to ask you how to compute the ratio of space integrals of a 
> given basis function used in quickstep and atomic codes.
>
> Many thanks in advance. 
>
> Kind regards,
> Ziwei
>

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