Rene found a bug in the MO readers -- specifically spherical MOs were being
read improperly, and the QChem reader was broken. I've checked in the fix
for those and am in the process of checking other readers.
Does anyone have some examples of Molden output that includes D and F
orbitals - preferably examples of both spherical and cartesian?
Bob
--
Robert M. Hanson
Professor of Chemistry
St. Olaf College
1520 St. Olaf Ave.
Northfield, MN 55057
http://www.stolaf.edu/people/hansonr
phone: 507-786-3107
If nature does not answer first what we want,
it is better to take what answer we get.
-- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
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