CCL:G: PBC NMR calculation G03
- From: "Andreea B" <abalaceanu###yahoo.com>
- Subject: CCL:G: PBC NMR calculation G03
- Date: Tue, 7 Apr 2009 04:53:54 -0400
Sent to CCL by: "Andreea B" [abalaceanu*|*yahoo.com]
Dear CCL members,
After a succesful optimization of a PBC molecule with Gaussian03, Im trying to
do an NMR calculation on the same molecule. The calculation does not finish, and
I get this error message:
PBC SCF information not saved. Error termination via Lnk1e...
I checked my .chk file, and it was saved, so I dont understand where this error
comes from.
Thank you very much in advance for your help.
Andreea.
abalaceanu{=}yahoo.com