sumit agrawal sumitag... at gmail.com
Sun May 16 06:42:09 UTC 2021


Can we use two BASIS SETS files (BASIS_MOLOPT and GTH_BASIS_SETS) and one
POTENTIAL (GTH_POTENTIAL) file for my system?

Since my system contains Ar, C, O atoms. In BASIS_MOLOPT I am
getting TZV2P-MOLOPT-GTH basis sets for C and O. But for Ar i want to use
the TZVP-GTH basis set, which is available in GTH_BASIS_SETS.

Please help!!
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