[Pw_forum] units of q-vectors when performing the ph.x command
Stefano de Gironcoli
degironc at sissa.it
Fri Aug 26 21:55:10 CEST 2011
cartesians in units of 2pi/a
stefano
On 08/26/2011 07:31 PM, Elie Moujaes wrote:
> dear all,
>
> a simple question: what are the units of the q vectors we assign in the ph.in file? is it cartesian or in terms of 2 pi/a?
>
> N.B: In my bands file, the points are define in terms of the reciprocal lattice vectors b.
>
> Thanks
>
> Elie Moujaes
> University of Nottingham
> NG7 2RD
> UK
>
>
>
>
>
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://www.democritos.it/mailman/listinfo/pw_forum
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20110826/a931de78/attachment.html>
More information about the users
mailing list