[molpro-user] Basis set problem

[Aris Mitropoulos]

Dear all,

   

I need to do some calculations involving Ca.  However, there are no correlation consistent
bases for Ca in my version of MOLPRO (2006.1), only the ones in the attached
file.  From them HUZINAGA and AHLRICHS-VDZ
work but others give the following error:

   

 Library entry CA     S AHLRICHS-TZV         selected for orbital group  1 

 LIBRARY EXHAUSTED 

  Searching for Ca I AHLRICHS-TZV         

  Library contains the following bases: 

 ? Error 

 ? Basis library exhausted 

 ? The problem occurs in Binput 

   

 GA ERROR fehler on processor   0                                          

   

Is there some way to add a cc basis set for Ca?  Is there any way to correct the
aforementioned error? 

   

Many thanks,

A. Mitropoulos
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