[molpro-user] Spherical MO coefficients in Molden output
alandc at umich.edu
Wed Sep 3 17:55:50 BST 2014
I'm trying to print out MO coefficients in Molpro, and use "orbprint, 20"
as well as the "put,molden..." statement.
However, looking at the molden file, I see more coefficients than there are
I've determined the cause to be the fact that Molpro works with spherical
orbitals, but then outputs coefficients of cartesian orbitals in the molden
Is there an option to get Molpro to output coefficients for spherical
orbitals in molden?
Thanks for any insight,
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