cbas at def2-TZVPD

Started by toda, March 02, 2012, 06:21:54 PM

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toda

Hi,

I'm trying to do ricc2 calculations at def2-TZVPD level. But program stopped with the following error message.
                  +------------------------------------------+
                  |     Auxiliary basis set information      |
                  +------------------------------------------+

MISSING BASIS SET SPECIFICATION(S) IN $atoms
BE SURE TO ADD THE REMAINING BASIS SETS !


MISSING BASIS SET SPECIFICATION(S) IN $atoms
BE SURE TO ADD THE REMAINING BASIS SETS !


========================
  internal module stack:
------------------------
    ricc2
========================

error reading cbas auxiliary basis!
ricc2 ended abnormally


I don't know how to get cbas at def2-TZVPD level.  Is these a way to solve this problem?


sampsa

I think that the turbomole team has auxbasis for def2-TZVPD .. at least they provided them for me.
Meanwhile, maybe you can use "aug-cc-TZVPD" as an auxbasis..?