Subject: spin-orbit coupling problem whith gaussian

From: Peter Huesser <[email-masked]>
Date: Mon, 26 Apr 1999 11:25:45 +0200 (CEST)

Dear all,

I have a problem with g94/98. I want to calculate the spin-orbit
coupling for a cluster consisting of one Cu and 6 O atoms. The
calculation stops after a few seconds with the error message:

(Enter /app/physik/cap/cqcp/gaussian94/g94/l319.exe)
No effective charge available for atomic number  29.
Error termination via Lnk1e in /app/physik/cap/cqcp/gaussian94/g94/l319.exe.

Is there a workaround to this problem ?

Thank's in advance for any help.

	Peter Huesser

Email: [email-masked]