[molpro-user] Basis set specification

Kirk Peterson kipeters at wsu.edu
Thu Dec 6 16:39:41 GMT 2007


Yes, this seems to be true unless you go with the very explicit input  
style:

basis
spdf,O,avtz;c
sp,H,vdz;c
end

-Kirk

On Dec 6, 2007, at 6:06 AM, Lorenzo Lodi wrote:

> Kirk Peterson wrote:
>> Dear Lorenzo,
>> try the following:
>> basis
>> default,vtz,o=avtz,h=vdz
>> end
>
> Thank you, it works. So apparently now one has always to specify the  
> "default" keyword when one uses a form of the kind H=cc-pVTZ, O=cc- 
> pVTZ ?
>
> Lorenzo




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