[CP2K:4022] How do you choose the BASIS_SET?

[Nathaniel Swenson]

You should literally have a file named BASIS_SET located in the same 
directory as your input file.  The BASIS_SET file contains a bunch of 
basis set parameters that CP2K needs to run.  There is an online 
repository of basis set data located here: 
http://cvs.berlios.de/cgi-bin/viewcvs.cgi/cp2k/basis_sets/

Regards,
Nathaniel

On 9/7/2012 9:36 AM, MR.Chem wrote:
> HEY, I'M A FRESH STUDENT TO LEARN CP2K, WHEN I TRIED TO RUN SOME 
> EXAMPLES, LIKE H2O, THE OUT PUT FILE SHOWED ERROR LIKE THIS:CP2K: The 
> specified file BASIS_SET can not be opened, it does not exist. AND THE 
> BASIS_SET IS :      BASIS_SET DZVP-GTH-PADE  POTENTIAL GTH-PADE-q1.
>
> EVERYONE HAS ANY IDEA??? THANK YOU FOR HELP!!!!!!!!!
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