[Pw_forum] Unit of displacements

Stefano de Gironcoli degironc at sissa.it
Fri Dec 9 09:29:58 CET 2005


Dynamical matrices are written in atomic units : Ryd/bohr^2
stefano

On Wed, 7 Dec 2005, Yansun Yao wrote:

> Dear Pwscf users,
>   Could you please tell me the unit using for the displacements in dynamical
> matrix files, generated by ph.x?  Is it in Bohradius , alat or crystal
> coordinates?
>   Thank you in advance!
>                         Yansun Yao
>                             University of Saskatchewan
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