[molpro-user] SAPT-DFT calculations of C6 disp coefficients

[jacek klos]

Dear Molpro Users,

I would like to calculate C6 dispersion coefficients in SAPT-DFT as  
implemented
in molpro 2006.2 version. I requested C6 according to the manual in the
this way:
grid;gridthr,1.d-5
sapt,sapt_icpks=0,c6;intermol,ca=$ca,cb=$cb

In the output molpro writes that:
"C6 dispersion coefficients requested"
But that is all, there is no results of C6 printed in the
output.
What keyword do I miss for C6 results to show up?
Thanks
Jacek
__________________________________
Jacek Klos
Department of Chemistry and Biochemistry
University of Maryland
College Park, MD 20742 USA
__________________________________




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