[Pw_forum] unit of mode vectors in matdyn.modes

[Paolo Giannozzi]

On Thu, 2012-12-13 at 11:25 +0100, Steve Schmerler wrote:

> I looked through the documentation and the relevant source 
> files but couldn't figure out the unit / normalization of 
> 
> * the eigenvectors in matdyn.modes

from the header of matdyn.f90:

  !     flvec     output file for normalized phonon displacements
  !               (default: 'matdyn.modes'). The normalized phonon
displacements
  !               are the eigenvectors divided by the mass and then
normalized.
  !               As such they are not orthogonal.

> * the q-points (I guess fractional w.r.t. reciprocal unit cell)

http://www.quantum-espresso.org/wp-content/uploads/Doc/INPUT_PH.html#id3400243

P.
-- 
Paolo Giannozzi, IOM-Democritos and University of Udine, Italy