[molpro-user] Error in the CI Calculation
Samir Tohme
samstohme at gmail.com
Fri Jul 18 12:58:59 BST 2014
Dear Molpro Developers and users,
I am running a CI program for a diatomic molecule, and when I am increasing
the nstati in the CI to more than 20 (i.e. nstati=21), I am always facing
the same error which is the following:
? Error
? mr.lt.ncol
? The problem occurs in mxma
Kindly, May anyone please assist me how can I overcome this error?
Thank you very much in advance...
Sincerely,
Samir
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://www.molpro.net/pipermail/molpro-user/attachments/20140718/95ee1af8/attachment.html>
More information about the Molpro-user
mailing list