TURBOMOLE Users Forum

TURBOMOLE Modules => Ricc2 => Topic started by: sampsa on May 22, 2012, 03:49:30 PM

Title: mixing basis set X with auxiliary basis set Y ..
Post by: sampsa on May 22, 2012, 03:49:30 PM

= 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