"maxrec not big enough"

Nick Wilson N.Wilson at bham.ac.uk
Thu Jan 15 21:33:00 GMT 2004

This should explain how to fix the problem:

Hope it works,
Nick Wilson

Charles Arrington wrote:
> I am a novice MOLPRO user.  I used the aug-cc-pwCVNZ basis sets in a
> calculation on a diatomic molecule.  Everything worked fine for DZ, TZ, 
> and QZ;
> but with 5Z in setting up the basis set the .out file gave the following 
> error
> message: "maxrec not big enough in getdefbas."  That led to ERROR EXIT.
>     How can this problem be corrected?
> Thanks,
> Tony Arrington

More information about the Molpro-user mailing list