Interpreting inv_taucb.fmt file for scattering rate calculations

Post here questions linked with issue while running the EPW code

Moderator: stiwari

Post Reply
Posts: 4
Joined: Tue Nov 07, 2023 5:38 am
Affiliation: Columbia University

Interpreting inv_taucb.fmt file for scattering rate calculations

Post by srp_001 »


I am trying to calculate the energy-averaged electron-phonon scattering rate in 2D graphene for a particular carrier density and am trying to figure out how to read the inv_taucm.fmt file.

The first column makes sense as I only specified 1 temperature to compute scattering at. The second column is also ok as I can look at the output of the epw1 calculation to determine the 3d coordinates for each k point. However, I am unsure about how to interpret the next few columns. In the input EPW file, I specified a carrier density of 1e10 cm^-3 (I have attached the inputs for both EPW files and the output for the second EPW calculation in a tar file).

Code: Select all

# Electron relaxation time [Multiply the relaxation time by 20670.6944033 to get 1/ps]
# itemp    kpt      ibnd    energy [Ry]   relaxation time [Ry]
    1       1     1   -0.396968354052E+00    0.115475199452E-07
    1       1     2    0.624446605482E-01    0.262232849392E-07
    1       1     3    0.111474554249E+00    0.275975434139E-10
    1       1     4    0.120968660882E+00    0.515213386462E-10
    1       1     5    0.195201390769E+00    0.354944544048E-10
    1       2     1   -0.396968354052E+00    0.115475199452E-07
    1       2     2    0.624446605482E-01    0.262232849392E-07
    1       2     3    0.111474554249E+00    0.275975434139E-10
    1       2     4    0.120968660882E+00    0.515213386462E-10
    1       2     5    0.195201390769E+00    0.354944544048E-10
    1       3     1   -0.396968354052E+00    0.115475199452E-07
    1       3     2    0.624446605482E-01    0.262232849392E-07
    1       3     3    0.111474554249E+00    0.275975434139E-10
    1       3     4    0.120968660882E+00    0.515213386462E-10
Thank you very much and please let me know if anything is unclear,
contains,, and epw2.out
(29.79 KiB) Downloaded 1078 times

Post Reply