[QE-users] Calculating phonon dispersions with the tetrahedron method

[Tenney, Craig Michael]

Dear Users,


When using the new tetrahedron method for electron-phonon calculations, you get the message:


"Because shifted q grid is used, q2r will not work !"


To calculate phonon dispersions, one usually uses the .fc and .freq files produced by  q2r.x and matdyn.x.


Is there any other options to get dispersions using the tetrahedron method?


Other then the two options of rerunning the electron-phonon calculations with out the tetrahedron method, or attempting ones own dispersion.


Thank you,


----

Craig Tenney

Graduate Student

Washington State University

craig.tenney at wsu.edu
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