Basis set
simin pahlavi
simin.... at gmail.com
Sun Jun 10 15:53:02 UTC 2018
Dear CP2k USERS
I have a question about basis sets.
What is the main difference between DZVP-MOLOPT-SR-GTH and DZVP-GTH-PBE
when we use PBE or B3LYP functionals.
Which one is more relevant for hydrocarbon systems.
Best regards
Simin
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