[QE-users] matdyn.modes phonon eigenvectors unit

[Wei Zhang]

 Dear all,
I am not sure about the acuurate unit of phonon eigenvectors printed at the matdyn.modes. e.g. ,

In https://www.mail-archive.com/users@lists.quantum-espresso.org/msg04000.html
The authors mentioned : the units  is masses^(-1/2) (masses are in atomic rydberg units, i.e. sqrt(-911.444*amass(1) or (2) ......) ).

In  write_eigenvectors.f90 of QE, it writes 
z_((na-1)*3+ipol,i) = z((na-1)*3+ipol,i) * sqrt(amu_ry*amass(nta))
which has already been multiplied by sqrt(amu_ry*amass(nta)) , i.e., sqrt(-911.444*amass(1) or (2) ......) ?? (As I have not found the value of constant amu_ry used in QE )

The sum of the norm of XYZ of every modes in matdyn.modes equals to 1, which has been normalized, So I want to check that: the real displacement of XYZ should be divided by sqrt(911.444*amass(1) or (2) ......) with Bohr length unit?

Thanks!

2020-01-30
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