Spin–orbit effects in GIPAW?

dceresoli / qe-gipaw

QE-GIPAW for Quantum-Espresso (official repository)

GNU General Public License v2.0

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Spin–orbit effects in GIPAW? #7

Closed chrinide closed 3 years ago

chrinide commented 3 years ago

Dear GIPAW developers,

It is possible to include Spin–orbit effects in GIPAW? How could I do a Spin–orbit included GIPAW caculation? Or will be Spin–orbit effects available in GIPAW ?

dceresoli commented 3 years ago

We have plans to account for spin orbit using the ZORA formalism (JCP 118, 5748) Best, D.