Can spin-orbit use both all-E and ECP basis sets simultaneously?

Meirong Lin linzh at
Mon Jan 19 04:17:15 GMT 2004

Dear molpro users,

Can molpro porform spin-orbit coupling calculations using both all-electronic and
ECP basis sets simultaneously?

For example, to compute HBr mulecule by MRCI+SO, it seems that only all-electronic
basis sets can be selected for Br atom, because H atom has no ECP basis sets and
the commands
cannot be used.

Is it right?

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