Sorry, I messed up!
How can I know if hybrid functionals are allowed with noncollinear magnetism?
Besides, one thing I noticed in the output file is the following:
BEWARE: nonlinear core correction is not consistent with hybrid XC
However, I think nlcc shall be used with Pb.
Thank you,
Carlo
________________________________________
Da: [email protected] [[email protected]] per conto di Paolo
Giannozzi [[email protected]]
Inviato: martedì 4 novembre 2014 14.47
A: PWSCF Forum
Oggetto: Re: [Pw_forum] R: Re: Error in routine calbec
On Tue, 2014-11-04 at 12:18 +0000, Carlo Motta wrote:
> However, it seems that if I want to do calculations with Pb,
> I am forced to set
> lspinorb = .true.,
> noncolin = .true.,
> otherwise I get errors.
?
--
Paolo Giannozzi, Dept. Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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