def test_eV_to_k(self):
self.assertAlmostEqual(eV_to_k(1.), 0.9681404248678961)
def test_eV_to_k(self):
self.assertAlmostEqual(eV_to_k(1.), 0.9681404248678961)
def e_iso(encut):
gcut = eV_to_k(encut) # gcut is in units of 1/A
return scipy.integrate.quad(
lambda g: self.q_model.rho_rec(g * g)**2, step,
gcut)[0] * (q**2) / np.pi
def e_iso(encut):
gcut = eV_to_k(encut) # gcut is in units of 1/A
return scipy.integrate.quad(lambda g: self.q_model.rho_rec(g * g)**2, step, gcut)[0] * (q**2) / np.pi
