[Pw_forum] Wrong degeneracy

[Stefano de Gironcoli]

in pwscf the q-point to be used for a phonon calculation i s specified
in cartesian coordinates in units of 2pi/celldm(1).
Look in any book about solid state theory displaying the BZ of a BCC
Bravais lattice in order to figure out why N point coordinates are
(0.5,0.5,0.0).

best regards,

stefano

Shihn Lun wrote:

>Hi Gironcoli,
>
>Thanks for your reply, I am a newbie.
>And I dont understand why the N point is (0.5 0.5 0.0)
>in pwscf? Could you give me some hint?
>
>Thanks in advance,
>
>
>Shihn Lun
>
>  
>