test_amset.py 文件源码

def test_poly_bands(self):
        print('\ntesting test_poly_bands...')
        mass = 0.25
        self.model_params['poly_bands'] = [[[[0.0, 0.0, 0.0], [0.0, mass]]]]
        amset = AMSET(calc_dir=self.GaAs_path,material_params=self.GaAs_params,
                      model_params=self.model_params,
                      performance_params=self.performance_params,
                      dopings=[-2e15], temperatures=[300], k_integration=True,
                      e_integration=True, fermi_type='k',
                      loglevel=logging.ERROR)
        amset.run(self.GaAs_cube, kgrid_tp='coarse', write_outputs=False)
        egrid = amset.egrid
        diff = abs(np.array(amset.mobility['n']['ACD'][-2e15][300]) - \
                   np.array(egrid['n']['mobility']['SPB_ACD'][-2e15][300]))
        avg = (amset.mobility['n']['ACD'][-2e15][300] + \
               egrid['n']['mobility']['SPB_ACD'][-2e15][300]) / 2
        self.assertTrue((diff / avg <= 0.01).all())