[CP2K-user] Where to get Quickstep format for 6-31+G** basis set?

Vladimir Rybkin rybk... at gmail.com
Fri Jan 18 10:47:59 UTC 2019

Dear Thalia,

have a look in data/EMSL_BASIS_SETS 



пятница, 18 января 2019 г., 11:22:09 UTC+1 пользователь Thalia Carstens 
> Hi there
> I'm new to CP2K, and I am struggling with the formatting of my basis set 
> file. I want to use the 6-31+G** basis set on my system, and I have visited 
> the Basis Set Exchange to get the parameters for my atoms but the site 
> cannot provide me with the correct formatting and as such my calculations 
> are failing.
> I have read online that it is "easy" to convert the files to Quickstep 
> format once they are in Gaussian format but I don't know where/how. Is 
> there maybe a site where I can find the parameters for H/C/N for this basis 
> set in the correct format?
> Advice would be helpful :) 
> Thanks!!
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