[Pw_forum] Order of the q in the star for each dyn files

Lorenzo Paulatto lorenzo.paulatto at impmc.upmc.fr
Fri Jun 5 22:57:21 CEST 2015

On 05/06/15 22:26, Samuel Poncé wrote:
> Dear all,
> I'm a bit confused by the ordering of the q points that belong to the 
> star of a q-point.

Dear Samuel,
the order is not important, if for some reason you need a specific order 
your code is going to break sooner or later.

Anyway, q2qstar uses the same subroutines as phonon, so in principle it 
should give the same order. If you have a valid reason for requiring the 
same order and if you provide enough input and example files to 
reproduce your case, I may have a look.

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

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