Questions about result files of RTA mode

[Iridium-191]

Dear Tadano:

While calculating thermo-conductivity using RTA mode of "anphon" module, we get a '.result' file. I wonder what is the unit and physical meanings of coordinates at the section head of "#GAMMA_EACH" section? Is it group velocity?
For example:
#GAMMA_EACH 28 16 12 **0.0100995 974.529 -1574.75 -0.0100995 -974.529 1574.75 -843.971 -487.251 -1574.76 843.971 487.251 1574.76 -0.00907661 -974.531 -1574.75 0.00907662 974.531 1574.75 843.966 487.256 -1574.75 -843.966 -487.256 1574.75 -843.981 487.244 -1574.75 843.981 -487.244 1574.75 843.979 -487.244 -1574.75 -843.979 487.244 1574.75** 0.000173789 0.000177937
Another question is the unit of phonon relaxation time. In the website of alamode, the paragraph describing the '.result' file says that is 'phonon linewidth'. I also noticed that this number increased significantly with increasing temperature, so it maybe in the unit of energy, frequency or wavenumber? I'm very concerned about the units used here.
Looking forward to your answer and best wishes!

Faeser

[ttadano]

Let me explain using the following example:

#GAMMA_EACH
105 10
12
       -197.596       -342.247       -451.174
        197.596        342.247        451.174
        395.192   -8.27506e-05       -451.174
       -395.192    8.27429e-05        451.174
        197.596        342.247       -451.174
       -197.596       -342.247        451.174
       -197.596        342.247       -451.174
        197.596       -342.247        451.174
        197.596       -342.247       -451.174
       -197.596        342.247        451.174
       -395.192     8.2739e-05       -451.174
        395.192   -8.27467e-05        451.174
       0.368313
       0.368314
       0.368343
       0.368471

The numbers 105 10 are the indices for the irreducible q point and the phonon branch, respectively.

The number 12 is the number of q^★ (star of q), which can be generated from q by applying the space group operations.

The following 12x3 data represent the group velocities of these 12 q^★ points in the Cartesian coordinate, (v^x, v^y, v^z). The unit is m/s.

After that, the phonon linewidths (half-width, imaginary part of the self-energy, Γ_q(T)) computed at the given temperature grid are shown. The unit is cm^-1.
The linewidth data (cm^-1) can be converted into the lifetime τ_q (ps) as τ_q = 1/(2Γ_q(T)) * 10¹² / (2π*c*100), where c=299792458 m/s is the speed of light.

Note:
If the phonon mode is degenerate, the Γ_q(T) values need to be averaged over the degenerate branches if TRISYM=1 (default).

[Iridium-191]

Great, I get it！Thank you for your help and patience！