I have extracted the scattering rates from an h5 file. If I keep temperature and carrier concentration constant, scattering rates are all the same for the whole range of bands and k-points.

I am not sure if there is something wrong.

I have extracted the scattering rates from an h5 file. If I keep temperature and carrier concentration constant, scattering rates are all the same for the whole range of bands and k-points.

I am not sure if there is something wrong.

Dear Eric,

I have used the Si example in the Github repository. Then, I have used an script following you advice in this forum:

This is the script I prepared:

from amset.io import load_mesh

data = load_mesh(“mesh_105x105x105.h5”)

print("Data keys: ",data.keys())

#from pymatgen import Spin

from pymatgen.electronic_structure.core import Spin

import numpy as np

#Rates

rates = data[“scattering_rates”]

print("Sacttering rates keys: ",rates.keys())

print("Sacttering rates shpae: ",rates[Spin.up].shape)

#Setting shapes

shapes = rates[Spin.up].shape

#Saving bands and kps size

bands=shapes[3]

kps=shapes[4]

#Sum over all scattering rates

overall_rates = np.sum(rates[Spin.up], axis=0)

#Energies

energies = data[“energies”]

print("Energy keys: ",energies.keys())

print("Energy shape: ",energies[Spin.up].shape)

#Velocities

vel = data[“velocities”]

print("Group Velocities keys: ",vel.keys())

print("Group Velocities shape: ",vel[Spin.up].shape)

print(“Energy, Scat_1, Scat_2, Scat_total, v(x), v(y), v(z)”)

for x in range(bands):

for y in range(kps):

print(energies[Spin.up][y],rates[Spin.up][0][0][0][y],rates[Spin.up][1][0][0][y],overall_rates[0][0][y],vel[Spin.up][y][0],vel[Spin.up][y][1],vel[Spin.up][y][2])

I get the same scattering rate for each band and k-point. Am I doing something wrong?