[Pw_forum] Band Structure using Hybrid Functionals

Giuseppe Mattioli giuseppe.mattioli at ism.cnr.it
Wed Feb 11 12:16:24 CET 2015


Dear Maou Tsun
It isn't, AFAIK
You can draw a DOS by post-processing an scf calculations using a k-points mesh, but you cannot perform nscf or bands calculations with EXX yet.
HTH
Giuseppe 

On Wednesday, February 11, 2015 11:28:11 AM Maou Tsun wrote:
> Dear Pwscf users
> 
> I didn't receive any  response to my question. can anyone help me!
> 
> Bests.
> 
> On Sat, Feb 7, 2015 at 6:38 PM, Lorenzo Donà <lorechimica91 at hotmail.it>
> 
> wrote:
> > Excuse me I made a mistake on the email address
> > Il giorno 07/feb/2015, alle ore 17:45, Maou Tsun <maou.tsun at gmail.com> ha
> > scritto:
> > 
> > Dear Lorenzo
> > 
> > I didn't understand what you meant with "
> > and for example when the machine was built…and so one…
> > how many years can I use it again."
> > 
> > any help would be greatly appreciated!
> > Bests.
> > 
> > Maou Tsun
> > 
> > 
> > 
> > On Sat, Feb 7, 2015 at 12:39 PM, Lorenzo Donà <lorechimica91 at hotmail.it>
> > 
> > wrote:
> >> and for example when the machine was built…and so one…
> >> how many years can I use it again.
> >> Il giorno 07/feb/2015, alle ore 12:06, Maou Tsun <maou.tsun at gmail.com>
> >> 
> >> ha scritto:
> >> > Dear QE users
> >> > 
> >> > Is there any method to get the band structure when using Hybrid
> >> 
> >> functionals in the last version of QE-5.1.
> >> 
> >> > If not, is it possible to interpolate it within wannier functions in
> >> 
> >> wannier90 code.
> >> 
> >> > Thanks in avance.
> >> > 
> >> > Maou Tsun.
> >> > 
> >> > _______________________________________________
> >> > Pw_forum mailing list
> >> > Pw_forum at pwscf.org
> >> > http://pwscf.org/mailman/listinfo/pw_forum
> >> 
> >> _______________________________________________
> >> Pw_forum mailing list
> >> Pw_forum at pwscf.org
> >> http://pwscf.org/mailman/listinfo/pw_forum
> > 
> > _______________________________________________
> > Pw_forum mailing list
> > Pw_forum at pwscf.org
> > http://pwscf.org/mailman/listinfo/pw_forum
> > 
> > 
> > 
> > _______________________________________________
> > Pw_forum mailing list
> > Pw_forum at pwscf.org
> > http://pwscf.org/mailman/listinfo/pw_forum

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   Giuseppe Mattioli                            
   CNR - ISTITUTO DI STRUTTURA DELLA MATERIA   
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