phonon_angular

[bcai0411]

Hi. I am trying to extract phonon angular. I plotted phonon dispersion first. The maximum value of phonon frequency is ~700 cm^-1. Then, I adopted DyagDinQ to calculate frequencies and eigenvectors. The maximum frequency become <1 THz and the magnitude order of phonon angular is >10^8. I think there is something wrong with unit conversion.

Also, I would like to calculate all phonon angular along the q-point path. How can I write the script to extract other phonon angular along the q-points. My dyn files are all at high symmetric q points.
02_plot_phonon_dispersion_and_phonon_angular.txt

[mesonepigreco]

Hi, not sure if it is the problem, but note that DyagDinQ returns frequencies in Ry, so you should convert them in the appropriate units

[bcai0411]

Thanks. Would sscha be possible to export the dyn files of special q points those I want, such as (0 0 0.1), (0 0 0.2), (0 0 0.3), etc?

[lishouhang123456]

It can be realized by matdyn.x in QE.