# Load Device LoadDevice tdrFile=structure_msh.tdr Physics xDirection=[list 1.0000 0.0000 0.0000] yDirection=[list 0.0000 1.0000 0.0000] # Reset doping Physics material=Silicon DopingConcentration=ConstantModel value=0.0 # Set simple models for bulk density Physics material=Silicon eBulkDensity=eFermiDensity Nc=2.1e19 # Set Delta band parameters using ConstantEllipsoid valley Physics material=Silicon ValleyModel=ConstantEllipsoid name=Delta1 degeneracy=2 Eshift=0.0 \ kl=[list 1 0 0] kt1=[list 0 1 0] kt2=[list 0 0 1] \ ml=0.8973840980945265 mt1=0.2101080901793241 mt2=0.24327596787316122 alpha=0.011140067768611856 Physics material=Silicon ValleyModel=ConstantEllipsoid name=Delta2 degeneracy=2 Eshift=0.0 \ kt1=[list 1 0 0] kl=[list 0 1 0] kt2=[list 0 0 1] \ mt1=0.19000002535393137 ml=0.9000000079536347 mt2=0.19000003513792474 alpha=0.010000936348313156 Physics material=Silicon ValleyModel=ConstantEllipsoid name=Delta3 degeneracy=2 Eshift=0.0 \ kt1=[list 1 0 0] kt2=[list 0 1 0] kl=[list 0 0 1] \ mt1=0.23776097308034674 mt2=0.23402141256701722 ml=0.9229005284777142 alpha=0.14944673266446368 # Create nonlocal for SE Math nonlocal name=NL1 regions=[list channel] set valleys [list Delta1 Delta2 Delta3] # Create parabolic SE with non-parabolic correction=3 Physics nonlocal=NL1 eSchrodinger=Parabolic valleys=$valleys \ Nk=151 Kmax=0.25 Nsubbands=16 a0=5.4306e-08 correction=3 set Es 1.0e-6 # Do non-self-consistent solve Solve Esurface=$Es # Save k-space TDR SaveK tdrFile=subbands_K.tdr Kmax=0.25 Nk=151 \ models=[list Delta1_0_Dispersion Delta2_0_Dispersion Delta3_0_Dispersion \ Delta1_1_Dispersion Delta2_1_Dispersion Delta3_1_Dispersion ]