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# creates: dos.png
import matplotlib.pyplot as plt
import numpy as np
from ase.dft import DOS
class MyCalc:
def get_eigenvalues(self, kpt=0, spin=0):
return np.random.uniform(-5.0, 2.0, 90)
def get_k_point_weights(self):
return [1.0]
def get_number_of_spins(self):
return 1
def get_fermi_level(self):
return 0.0
calc = MyCalc()
dos = DOS(calc, width=0.2)
d = dos.get_dos()
e = dos.get_energies()
plt.figure(figsize=(5, 4))
plt.plot(e, d)
plt.xlabel('energy [eV]')
plt.ylabel('DOS')
plt.tight_layout()
plt.savefig('dos.png')
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