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][x][y],rates[Spin.up][0][0][0][x][y],rates[Spin.up][1][0][0][x][y],overall_rates[0][0][x][y],vel[Spin.up][x][y][0],vel[Spin.up][x][y][1],vel[Spin.up][x][y][2])
I get the same scattering rate for each band and k-point. Am I doing something wrong?