[Pw_forum] Does SOC conflict with HSE06?

[Paolo Giannozzi]

On Aug 24, 2011, at 2:30 , lilonghua wrote:

> Does SOC (spin-orbit coupling) conflict with HSE06 in pwscf?

with all hybrid functionals, I guess: I do not think spin-orbit
calculations are implemented in this case, unfortunately

P.
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Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222