[molpro-user] Molpro-user Digest, Vol 27, Issue 2

lydia theochemly at gmail.com
Mon Oct 4 23:46:52 BST 2010

Hi all,
I have a question about using MOLDEN to visualize the geomtry and orbitals.
As we know, {put,molden,h2o.molden} was used to save the molden file.
However, when my basis set includes the h function, like ANO-RCC,  it
shows that "You have requested Molden output, but the basis set
contains h or higher basis functions. Neither this interface, nor
Molden itself, supports such a basis set". I searched the newest
version of MOLDEN, and it seems cannot support the h function.
So I want to know how do you usually visualize the orbitals for a
molpro output if the basis set includes h function? which program do
you use?
Thank you in advance.


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