donaldducksdaughter donaldduc... at
Mon Feb 6 17:27:17 UTC 2017

Dear all, 

I'm interested in obtaining a MOLOPT basis set for use with GTH pseudo 
potentials (which cannot be found in the cp2k/data or on the github 
website). I'm specifically interested in a TZV2P MOLOPT basis set for 
Aluminium (Al). The highest order MOLOPT Al basis set for use with the GTH 
pseudo potential, which I could find, is the DZVP-MOLOPT-SR-GTH. For 
consistency with respect to the other atoms in my system, I would like to 
use this for Aluminium unusual basis set. How would I be able to generate 
this or has this basis set already been generated? However, for a 
non-MOLOPT basis set the Al TZV2P-GTH Al basis set is available. Hence, would 
you recommend moving all my atoms to non-molopt basis sets instead?

Thanks for taking the time to read this request.

Many thanks in advance.

Best wishes,

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