Page 1 of 1

scalar relativistic calculations

Posted: Mon Jul 18, 2005 6:03 pm
by widom
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.

scalar relativistic calculations

Posted: Thu Aug 11, 2005 1:11 pm
by doris
in the latest releases of vasp.4.6, the relativistic mass as well as the
Darwin term are included.