[molpro-user] AVQZ basis for Na?

[Grant Hill]

 From a quick test the output:

----

SETTING BASIS          =    AVQZ


Recomputing integrals since basis changed


Using spherical harmonics

Library entry NA     S cc-pVQZ              selected for orbital  
group  1
Library entry NA     P cc-pVQZ              selected for orbital  
group  1
Library entry NA     D cc-pVQZ              selected for orbital  
group  1
Library entry NA     F cc-pVQZ              selected for orbital  
group  1
Library entry NA     G cc-pVQZ              selected for orbital  
group  1

----

suggests that VQZ is actually used. A gprint,basis directive should  
confirm this.

HTH,

Grant


On 7 Nov 2008, at 09:28, Cristopher Camacho wrote:

> Dear All,
>
> Is it possible to know which is the exact basis set used by Molpro  
> when I ask for
>
> basis=AVQZ
>
> for a sodium atom?
>
> Thanks a lot.
>
> Cheers,
>
> ccamacho
>
> =
>
>
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