scalar relativistic calculations
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widom
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scalar relativistic calculations
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.
Last edited by widom on Mon Jul 18, 2005 6:03 pm, edited 1 time in total.
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doris
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scalar relativistic calculations
in the latest releases of vasp.4.6, the relativistic mass as well as the
Darwin term are included.
Darwin term are included.
Last edited by doris on Thu Aug 11, 2005 1:11 pm, edited 1 time in total.