[Pw_forum] phonon DOS error

Paolo Giannozzi giannozz at nest.sns.it
Tue Jul 1 17:27:53 CEST 2003


On Monday 30 June 2003 16:29, Elwira Wachowicz wrote:

> I try to calculate phonon DOS using tetrahedra method for fcc-lattice
> with 2 atoms in the unit cell. I calculated phonons in 4x4x4 grid. Now,
> I'd like to see DOS for, say, 24x24x24 mesh but I cannot do it and the
> error message is:
>      from tetrahedra : error #        15
>      cannot locate  k point

nice error: never seen before. Could you please post a sample job that
demonstrates this problem ?

Paolo

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Paolo Giannozzi             e-mail:  giannozz at nest.sns.it
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