Author Topic: cbas at def2-TZVPD  (Read 5874 times)

toda

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cbas at def2-TZVPD
« on: March 02, 2012, 06:21:54 PM »
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

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Re: cbas at def2-TZVPD
« Reply #1 on: May 22, 2012, 03:45:41 PM »
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..?