RI-MP2 calculations

[Nick Wilson]

Dear Hans-Christian,

You need to do a HF-SCF calculation before your mp2 calculation in order 
to generate a reference wavefunction or use the "runmp2" command which 
does this automatically.

Best wishes,
Nick Wilson


hcmch at cup.uni-muenchen.de wrote:
> Dear Molpro users,
> 
> I would like to do RI-MP2 calculations with Molpro (2002.3 and 2002.6) but I 
> get the following error message:
> 
> 1PROGRAM * MP2 (Closed-shell)     Authors: C. Hampel, H.-J. Werner, 1991, M. 
> Deegan, P.J. Knowles, 1992,  U. Schumann, 2001
> 
>  INPUT ERROR ON PAIRS CARD
> 
>  ERROR EXIT
> 
> 
> Can anyone tell me, what this error means? Can someone send me an example 
> input for RI-MP2 calculations, please?
> 
> Thanks a lot,
> 
> 	Hans-Christian Mueller