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