[molpro-user] linearly dependent basis sets

[Kirk Peterson]

Dear Ersin,

what is your orbital basis set?

-Kirk

On Oct 22, 2008, at 5:18 AM, ERSIN YURTSEVER wrote:

> I am using DF-MP2 for dimer of triphenylene with df_basis=vtz for HF  
> and df_basis=avdz for MP2.
>
> Error:basis is linearly dependent or wrong S.
>
> I have tried lowering the threshold for the smallest eigenvalue even  
> though it is not recommended, then it could not reorthonormalize in  
> MP2 step.
>
> I also tried to use vdz basis for HF step, but again I ended up with  
> linear dependency.
>
> Is there some toher basis sets I could use for the density fitting?
>
> thanks
>
> _______________________________________________
> Molpro-user mailing list
> Molpro-user at molpro.net
> http://www.molpro.net/mailman/listinfo/molpro-user