[Pw_forum] Symmetry k-points paths for monoclinic

Isaiah Moses imoses87 at gmail.com
Sat May 27 20:37:00 CEST 2017


Thanks a lot Nicola for the information.
I'm grateful.
Isaiah

On Sat, May 27, 2017 at 3:53 PM, Nicola Marzari <nicola.marzari at epfl.ch>
wrote:

>
>
> Here it is - just use your pwscf input:
>
> http://materialscloud.org/tools/seekpath/input_structure/
>
>                         nicola
>
>
>
> On 27/05/2017 16:46, Isaiah Moses wrote:
> > Dear users,
> > Please I'm new to quantum espresso.
> > I'm trying to get symmetry k-points paths for monoclinic structure for
> > band structure calculation. I've tried to use AFLOW but i can't find my
> > structure in their data base.
> >
> > Any help shall be greatly appreciated.
> >
> >
> > Isaiah Moses
> > Graduate Student
> > University of Ibadan
> > Nigeria
> >
> >
> >
> > _______________________________________________
> > Pw_forum mailing list
> > Pw_forum at pwscf.org
> > http://pwscf.org/mailman/listinfo/pw_forum
> >
>
> --
> ----------------------------------------------------------------------
> Prof Nicola Marzari, Chair of Theory and Simulation of Materials, EPFL
> Director, National Centre for Competence in Research NCCR MARVEL, EPFL
> http://theossrv1.epfl.ch/Main/Contact http://nccr-marvel.ch/en/project
> _______________________________________________
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>
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