CCL:G: Inaccurate quadrature in CalDSu

[Ralf Tonner <ralf.tonner+/-googlemail.com>]

 Sent to CCL by: Ralf Tonner [ralf.tonner^googlemail.com]
 Hi Teobald,
it sounds like your integration grid for the DFT calculation
 is not fine-grained enough.
 If you receive this error message in the first few SCF steps
 you can use
 > scf(NoVarAcc)
This prevents G03 from using looser integral-accuracy for
 the first SCF steps.
 If the integrals are still not accurate enough you could try
 > integral(ultrafine)
For consistency reasons you should apply the same integral
 accuracy to all calculations of a batch.
 Hope this helps
 Ralf.
 --
 Dr. Ralf Tonner               <R.E.Tonner- -massey.ac.nz>
 Centre of Theoretical Chemistry and Physics
 New Zealand Institute for Advanced Study
 Massey University Auckland                  NEW ZEALAND
 Phone (64) 09 414 0800 extn 9894   Fax (64) 09 443 9779
                                                    ----
 Teobald Kupka teobaldk^yahoo.com schrieb:
>  Sent to CCL by: "Teobald  Kupka" [teobaldk]=[yahoo.com]
>  Hi,
>  I am trying to calculate indirect spin-spin coupling constants in G03 using DFT
>  and unc-ccJ-pVXZ basis sets. Job fails with a message:
>   Inaccurate quadrature in CalDSu
> The job is OK for RHF calculations with the same basis set or with
>  DFT/ccJ-pVXZ . I have tried suggested on this list guess=INDO without luck.
>  
>  I would appreciate any suggestions.
>  
>  Teobald Kupka
>  Unioversity of Opole,
>  Opole
> teobaldk-$-yahoo.com>
>