[Pw_forum] Wrong degeneracy

Stefano de Gironcoli degironc at sissa.it
Thu Mar 3 14:25:43 CET 2005

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

best regards,


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

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