Moderators: jbeuken, jzwanzig, gonze
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- Joined: Mon Aug 17, 2009 9:25 am
most probably scalar relativistic as that is the default of the fhi98 generator.
Josef W. Zwanziger
Professor, Department of Chemistry
Canada Research Chair in NMR Studies of Materials
Halifax, NS B3H 4J3 Canadajzwanzig@gmail.com