Dear ADF community,

from the manual and from the respective publications, I understand that
one should not use the non-relativistic basis sets for ZORA
calculations.
    However, I am less clear about the reverse: Are there any
fundamental or practical arguments against using ZORA basis sets for
non-relativistic calculations? Does it make sense to do so? - I am
asking because I want to calculate the magnitude of the 'relativistic
contributions' to some properties. This would require using the exact
same conditions, including the exact same basis sets, in the
non-relativistic and relativistic cases.

Thank you very much!

Best regards, Georg

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Dr. H. Georg Schreckenbach
Department of Chemistry and Biochemistry, Concordia University
Montreal, Quebec, Canada, H3G 1M8
phone: (+514) 848-3352;  FAX: (+514) 848-2868
schrecke_at_alcor.concordia.ca
http://www.geocities.com/gschreckenbach/
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