[molpro-user] CBS extrapolation for scs-mp2

Fri Apr 1 10:40:47 BST 2011


I am trying to do CBS extrapolation for SCS-MP2 including BSSE correction starting with vdz basis and using vdz and vtz(as a test case). My understanding is that the extrapolation is carried out for MP2. (I have tried MP2 with scsfacs, scsfact. Still extrapolates MP2).  So I need to extract extrapolated SCS-MP2 energies for fragments as well. Form the output file, I get all energies with vdz basis. Form log files I should get the rest. For the supermolecule energies for vtz and vqz are printed; however, for fragments I can only find vtz for the first fragment and vqz for the second.

How can I get all SCS-MP2 energies printed?



PS.Attached is the input file.
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