[Pw_forum] What is the displacement unit in dynamical matrix file?

[Lorenzo Paulatto]

On Thursday, December 17, 2015 11:04:47 AM yin li wrote:
> Dear QE community,
> 
> I wonder what is the unit of the displacement vector in dynamical matrix
> file? alat or angstrom or bohr?

Neither: the displacements are normalized.

How much the atoms move depends on their mass (i.e. there could be isotopes) 
and, of course, on the temperature.

kinds regards




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Dr. Lorenzo Paulatto
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