tim at loki.otago.ac.nz
Thu Aug 29 04:15:14 BST 2002
Hi molpro users, I have two quick questions.
When molpro prints orbitals, the order within a symmetry isn't always in
increasing energy - what determines the order?
at the start of the orbitals section why are there five 1s ie.
1 1s 1 1s 1 1s 1 1s 1 1s 1 2py ...
The first number (1) relates to the atom number but from then
on I am confused. Sorry if this is has a trivial answer.
Thanks in advance for replies
University of Otago
More information about the Molpro-user