[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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