TURBOMOLE Users Forum
TURBOMOLE Modules => Ricc2 => Topic started by: sampsa on May 22, 2012, 03:49:30 PM
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= crap or not?
In ricc2 calculations, I have been using frequently the following:
basis=def2-TZVPD
auxbasis=def2-TZVPD (or aug-cc-pVTZ)
jkauxbasis=aug-cc-pVTZ
Now I was wondering, what sort of basis set "mixture" I could use for
basis=def2-SZVPD
Am I doing everything legal here? What would be a suitable auxiliary basis for def2-SZVPD ?
Regards,
Sampsa