[molpro-user] FCIDUMP
Martin Spenke
martinspenke at yahoo.de
Wed Aug 12 01:56:00 BST 2015
Hello,
is there any way to restrict the number of virtual orbitals to a specific number in order to be able to generate a fcidump file for a specific active space ?
I know that one can freeze core orbitals, what about virtual orbitals ??? Is there any similar keyword for virtual orbitals, too ?
Best wishesSpenke
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://www.molpro.net/pipermail/molpro-user/attachments/20150812/76d10e8e/attachment.html>
More information about the Molpro-user
mailing list