[CP2K-user] LRIGPW basis set

Phillip Seeber phillip... at googlemail.com
Thu Feb 21 15:34:17 UTC 2019

Dear all,
i would like to use the LRIGPW scheme for optimisation of a cell with a non 
orthorhombic crystal. It is a cobalt complex. From the data directory, i 
can only find LRIGPW basis sets for very few elements and a quick search of 
literature also did not provide anything else. Now 
https://www.cp2k.org/howto:lrigpw states that "Auxiliary basis sets are 
available for the MOLOPT basis sets. All auxiliary basis sets have been 
generated by simple geometric progression without any need for further 
optimization." Is there a reasonably easy way to construct the LRIGPW basis 
sets by myself from the Molopt basis sets? I cannot find anything in the 

Best wishes
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