def test_create_bandstrutcture_gan_3d(file_path): """ Tests create method for GaN 3d """ software_module = Vasp() band_structure = BandStructure.create(software_module, file_path("/gan-3d/")) assert isinstance(band_structure, BandStructure) assert band_structure.is_metal() is False
def test_create_bandstrutcture_bn_2d(file_path): """ Tests create method for BN 2d """ softare_module = Vasp() kpoint_vbm = 24 band_vbm = 4 band_structure = BandStructure.create(softare_module, file_path("/bn-2d/")) vbm_index = band_structure.vbm_index() assert isinstance(band_structure, BandStructure) assert vbm_index[0] == kpoint_vbm assert vbm_index[1] == band_vbm