[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
>
--
You received this message because you are subscribed to the Google Groups "cp2k" group.
To unsubscribe from this group and stop receiving emails from it, send an email to cp2k+unsubscribe at googlegroups.com.
To view this discussion on the web visit https://groups.google.com/d/msgid/cp2k/1b37e17f-23cb-4024-838e-07b6cd6c04a9n%40googlegroups.com.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20231003/9f554e6f/attachment-0001.htm>
More information about the CP2K-user
mailing list