How do you choose the BASIS_SET?
MR.Chem
chemc... at gmail.com
Fri Sep 7 14:36:37 UTC 2012
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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