[QE-users] The phonon mode eigenvector produced by matdyn.x

[Elio Physics]

Dear all,

I have a naive question (only to make sure) regarding the format of the phonon eigenvector at a certain point q, produced in the .eig or (matdyn.modes) file(s).

Let us take a phonon wave vector:

q = (    0.000000041  -0.288465197   0.000000000 )

 **************************************************************************
     freq (    1) =       2.149626 [THz] =      71.703791 [cm-1]
 ( -0.000000  0.000000 -0.000000  0.000000 -0.010327  0.000000 )
 ( -0.000000  0.000000  0.000000  0.000000 -0.554305  0.000000 )
 ( -0.000000  0.000000 -0.257860  0.000000  0.210723  0.000000 )
 ( -0.000000  0.000000 -0.213878  0.000000 -0.435522  0.000000 )
 (  0.000000  0.000000  0.257860  0.000000  0.210723  0.000000 )
 (  0.000000  0.000000  0.213878  0.000000 -0.435522  0.000000 )

Does the 1st column represent the real part of the displacement vector along the x direction, the 4th column is its imaginary part, the 2nd column is the real part of the y component, and the 5th column is its imaginary part, and so on?

Thanks

Dr. Elie Moujaes
Fedearl University of Rondonia
Brazil

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