[molpro-user] Origin
lilianna bryjko
lbryjko at yahoo.com
Thu Nov 3 16:32:20 GMT 2011
Hi,
I would like to ask about origin of dm and qm in Molpro. My output shows:
OPERATOR DM FOR CENTER 0 COORDINATES: 0.000000 0.000000 0.000000
OPERATOR SM FOR CENTER 0 COORDINATES: 0.000000 0.000000 0.000000
OPERATOR QM FOR CENTER 0 COORDINATES: 0.000000 0.000000 0.000000
My Z-matrix there are cartesian coordinates. Is
this point 0 0 0 on the axis or origin of mass or charge?
Best wishes,
Lilianna
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