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?
Dr David M.Hirst
Department of Chemistry
University of Warwick
Coventry CV4 7AL
Email: D.M.Hirst at warwick.ac.uk
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