[QE-users] Possible error in documentation of matdyn.x (v 7.3.1)
Ghosh, Prasenjit
pghosh at iiserpune.ac.in
Thu Sep 5 15:12:16 CEST 2024
Dear developers,
I think that there is an error in the documentation of matdyn.x.
While in the documentation it is written that the matdyn.eig file contains the phonon eigenvectors and matdyn.modes contains the displacements (eigenvectors divided by the square root of the mass),
however, if one looks at the subroutine "write_eigenvectors", the eigenvectors are divided by the sqrt of mass., while in the "writemodes" subroutine, the normalized eigenvectors of the dynamical matrix are written.
With regards,
Prasenjit
IISER Pune
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