| 1:56:08 PM PST - Thu, Jan 31st 2013 |
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Can you please clarify the relationship between the "spin_orbit .true." term, the Spin_Orbit U pseudopotential, and the ZORA relativistic option, as these apply to plane-wave calculations?
Specifically, I note that when I use the default pseudopotential for U in an unrestricted BAND calculation with spin-orbit coupling, turning ZORA on/off doesn't seem to affect my results. (I have not successfully gotten the Spin_Orbit pseudopotential to run, as the memory requirements have proved too stringent for the machines I have access to.)
Thanks a lot.
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