[molpro-user] Matrop (orbital question)

Cristopher Camacho ccamacho at linuxmail.org
Mon Nov 30 16:38:17 GMT 2009

Dear All,

When I use matrop to write the orbitals from a calculation to a file with
a command like


does anyone know in which order are those orbitals written to that file,
what is the structure of the file.  I was looking at the file and it
seems like it is not arranged by orbital number, for instan ce the first
set of numbers corresponding to orbital 1 symmetry 1. If anyone can drop
me a line as of how is it done I will really appreciate it.

Best regards,


Be Yourself @ mail.com!
Choose From 200+ Email Addresses
Get a Free Account at www.mail.com!

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://www.molpro.net/pipermail/molpro-user/attachments/20091130/23cb1b24/attachment.html>

More information about the Molpro-user mailing list