[Pw_forum] Spin orbit coupling with hybrid functional

Lorenzo Paulatto lorenzo.paulatto at impmc.upmc.fr
Fri Dec 4 20:38:04 CET 2015


On Friday, December 04, 2015 05:44:59 PM Prasenjit Ghosh wrote:
> Dear all,
> 
> Is it possible to do spin-orbit calculations with hybrid functionals in QE?
> 
> With regards,
> 
> Prasenjit

Yes, but only norm-conserving pseudpotentials

-- 
Dr. Lorenzo Paulatto
IdR @ IMPMC -- CNRS & Université Paris 6
+33 (0)1 44 275 084 / skype: paulatz
http://www.impmc.upmc.fr/~paulatto/
23-24/4é16 Boîte courrier 115
4 place Jussieu 75252 Paris Cédex 05





More information about the users mailing list