TURBOMOLE Users Forum
TURBOMOLE Modules => Define => Topic started by: evgeniy on August 20, 2018, 02:03:21 PM
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Hello,
I have a non-standard main basis and a related to it auxilary basis (cbas), which hopefuly should give a sufficient/appropriate accuracy.
Now I want to aurgument the main basis by 3 diffuse functions in each shell, i.e. I want to add 3s-, 3p-, 3d-, and 3f- diffuse functions to the main basis,
with the exponent obtained in even-tempered way. The question is how to augment the auxilary basis to be consistent with the augmented main basis?
Would it be OK/appropriate for that to add to the auxilary basis the same number of diffuse functions as added to the main basis, with exponents also obtained
in even-tempered way? Thanks in advance!
Best regards,
Evgeniy