[CP2K-user] [CP2K:13291] How to cite CP2K in a paper

Leopold Talirz leopol... at gmail.com
Wed May 20 10:10:41 UTC 2020

Thanks Thomas!

I've created a first draft of the page here: 
https://www.cp2k.org/citing_cp2k Feel free to edit & improve.

I think all that is needed is to move it under the "faq" section in the 
sitemap in order to show up in the list of FAQs. I don't think I have the 
rights to do that (?) so I would ask some one else to please take care of 


On Wednesday, 20 May 2020 11:35:31 UTC+2, tkuehne wrote:
> Dear Leopold, 
> the new CP2K/Quickstep paper has been just published yesterday 
> within JCP's „Electronic Structure Software“ Special Topic as: 
> J. Chem. Phys. 152, 194103 (2020) 
> https://doi.org/10.1063/5.0007045
> Best, 
> Thomas
> Am 13.05.2020 um 15:42 schrieb Leopold Talirz <leo... at gmail.com 
> <javascript:>>:
> Coming back to this question: There are actually at least two scenarios, 
> in which people might want to cite cp2k:
>  * When using CP2K to perform a set of calculations. I understand that in 
> this case you would like users to cite all papers shown in the "REFERENCES" 
> section of the output. This is fine, but given that the list can easily 
> grow to 10 references or more, I think it is good to remind people that you 
> indeed would like all of these papers to be cited.
>  * When mentioning CP2K as part of a list of codes (e.g. codes supported 
> by plugins through AiiDA, open-source QM chemistry codes, ...) where more 
> than one citation per code is not reasonable. 
>    What is the suggested way to cite cp2k in this context?
> If you let me know your preferences and give me the edit rights, I'll even 
> add it to the FAQ myself... it's such an easy thing to do!
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> ==============================
> Thomas D. Kühne
> Dynamics of Condensed Matter
> Chair of Theoretical Chemistry
> University of Paderborn
> Warburger Str. 100
> D-33098 Paderborn
> Germany
> td... at mail.upb.de <javascript:>
> +49/(0)5251/60-5726
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