CCL: Technical question about an error message
- From: Orlin Blajiev <blajiev+*+vub.ac.be>
- Subject: CCL: Technical question about an error message
- Date: Fri, 25 May 2007 17:33:15 +0200 (CEST)
Sent to CCL by: Orlin Blajiev [blajiev*vub.ac.be]
Hi all,
I try to use natural orbital analysis with CEP-121 and LANLDZ2 ECP and I got the
following error (it was posted before but rarely):
Storage needed: 950490 in NPA ( 104841045 available)
Subroutine NAOANL could not find a S-type core orbital on atom Ag 1.
ICORE : 4 3 1 0 M : 1 LA : 1
Error
I will appreciate any insight about what is wrong.
Orlin
Orlin Blajiev
Department of Metallurgy, Electrochemistry
and Materials Science
Faculty of Applied Science
Vrije Universiteit Brussel
Pleinlaan 2, B-1050 Brussels
Belgium
http://www.vub.ac.be/META/
tel.: 32-(0)2-6293538
fax : 32-(0)2-6293200