Interpreting inv_taucb.fmt file for scattering rate calculations
Posted: Sat Nov 18, 2023 6:16 pm
Hello,
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).
Thank you very much and please let me know if anything is unclear,
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
srp_001