[molpro-user] "2-ext paging plus 3-ext ints not yet working" error message during mp2 calculation

Gerald Knizia knizia at theochem.uni-stuttgart.de
Tue Oct 5 09:21:36 BST 2010

On Tuesday 05 October 2010 06:57, Cong Wang wrote:
>  I tried to do a mp2 calculation for a van der waals complex, such an
> error message appears
> [...]
>  ? Error
>  ? 2-ext paging plus 3-ext ints not yet working (kintc)!
>  ? The problem occurs in cckint

Well, this certainly looks like a bug. Could you provide the full input for 

For a workaround: It can most likely be circumvented by either giving the job 
more memory, or by using df-hf + df-mp2 instead of the canonical MP2. The 
latter variant will most likely also be much faster:


If you have unusual elements in your molecule and get errors about missing 
basis sets, you can also use the asvp/atzvpp/aqzvpp basis set series instead 
(Karsruhe-type basis sets). This should work like written above for all 
elements except Lanthanides.
Gerald Knizia

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