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 scalar relativistic calculations

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widom
Mon Jul 18 2005, 06:03PM Quote
Registered Member #226
Joined Tue Jun 14 2005, 09:10PM
posts 6
 		Is there any way to perform scalar relativistic calculations with VASP? As far as I can see, the only relativisitc effect that can be included is spin-orbit coupling. I would like to include relativistic mass and Darwin terms for studies of heavy elements. Thanks in advance for any info or advice.
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doris
Thu Aug 11 2005, 01:11PM Quote
Registered Member #5
Joined: Tue Aug 31 2004, 07:30AM
posts 5
 		in the latest releases of vasp.4.6, the relativistic mass as well as the
Darwin term are included.
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