spin-orbit coupling

David Hirst D.M.Hirst at warwick.ac.uk
Wed Jan 29 12:38:44 GMT 2003

I have run the appended job and am worried by the lines in the output from the spin-orbit coupling module regarding

error in 1-elec all internal so

What does this mean?  Are the values for the matrix elements givwen at the end of the output spurious?

David Hirst

Dr David M.Hirst
Department of Chemistry
University of Warwick
Coventry CV4 7AL

Email: D.M.Hirst at warwick.ac.uk
Phone: ++44-24-7652-3257
Fax:      ++44-24-7652-4112

WWW: www.warwick.ac.uk/fac/sci/Chemistry/astaff/hirst/index.htm

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