[molpro-user] MRCI scaling

M Addicoat madd.cluster at gmail.com
Wed Dec 7 07:02:51 GMT 2005


Forgive me for being ignorant, but I've just started to undertake
CASSCF and MRCI calculations.

The CAS we can definitely do but how do I estimate the expense of an
MRCI calculation and what scaling should I expect running mrci in
parallel (SGI Altix system).

M Addicoat

More information about the Molpro-user mailing list