Program POST-PROC v.4.1CVS starts ... Today is 26Feb2009 at 17: 8:27 ===== INPUT FILE containing the left lead ===== GEOMETRY: lattice parameter (a_0) = 12.0000 a.u. the volume = 648.0000 (a.u.)^3 the cross section = 144.0000 (a.u.)^2 l of the unit cell = 0.3750 (a_0) number of atoms/cell = 1 number of atomic types = 1 crystal axes: (cart. coord. in units of a_0) a(1) = ( 1.0000 0.0000 0.0000 ) a(2) = ( 0.0000 1.0000 0.0000 ) a(3) = ( 0.0000 0.0000 0.3750 ) Cartesian axes site n. atom positions (a_0 units) 1 Al tau( 1)=( 0.0000 0.0000 0.3750 ) nr1s = 40 nr2s = 40 nr3s = 15 nrx1s = 40 nrx2s = 40 nrx3s = 15 nr1 = 48 nr2 = 48 nr3 = 18 nrx1 = 48 nrx2 = 48 nrx3 = 18 _______________________________ Radii of nonlocal spheres: type ibeta ang. mom. radius (a_0 units) Al 1 0 0.2260 Al 2 1 0.2561 ===== INPUT FILE containing the scat. region ===== GEOMETRY: lattice parameter (a_0) = 12.0000 a.u. the volume = 648.0000 (a.u.)^3 the cross section = 144.0000 (a.u.)^2 l of the unit cell = 0.3750 (a_0) number of atoms/cell = 1 number of atomic types = 1 crystal axes: (cart. coord. in units of a_0) a(1) = ( 1.0000 0.0000 0.0000 ) a(2) = ( 0.0000 1.0000 0.0000 ) a(3) = ( 0.0000 0.0000 0.3750 ) Cartesian axes site n. atom positions (a_0 units) 1 Al tau( 1)=( 0.0000 0.0000 0.3750 ) nr1s = 40 nr2s = 40 nr3s = 15 nrx1s = 40 nrx2s = 40 nrx3s = 15 nr1 = 48 nr2 = 48 nr3 = 18 nrx1 = 48 nrx2 = 48 nrx3 = 18 _______________________________ Radii of nonlocal spheres: type ibeta ang. mom. radius (a_0 units) Al 1 0 0.2260 Al 2 1 0.2561 ----- General information ----- --- T calc. with identical leads (ikind=1) --- nrx = 40 nry = 40 nz1 = 1 energy0 = 3.0E+00 denergy = -1.0E-01 nenergy = 100 ecut2d = 2.5E+01 ewind = 1.0E+00 epsproj = 1.0E-03 number of k_|| points= 1 cart. coord. in units 2pi/a_0 k( 1) = ( 0.0000000 0.0000000), wk = 1.0000000 ----- Information about left/right lead ----- nocros = 4 noins = 0 norb = 8 norbf = 8 nrz = 15 iorb type ibeta ang. mom. m position (a_0) 1 1 1 0 1 taunew( 1)=( 0.0000 0.0000 0.0000) 2 1 2 1 1 taunew( 2)=( 0.0000 0.0000 0.0000) 3 1 2 1 2 taunew( 3)=( 0.0000 0.0000 0.0000) 4 1 2 1 3 taunew( 4)=( 0.0000 0.0000 0.0000) 5 1 1 0 1 taunew( 5)=( 0.0000 0.0000 0.3750) 6 1 2 1 1 taunew( 6)=( 0.0000 0.0000 0.3750) 7 1 2 1 2 taunew( 7)=( 0.0000 0.0000 0.3750) 8 1 2 1 3 taunew( 8)=( 0.0000 0.0000 0.3750) k slab z(k) z(k+1) crossing(iorb=1,norb) 1 0.0000 0.0250 0.0250 11110000 2 0.0250 0.0500 0.0250 11110000 3 0.0500 0.0750 0.0250 11110000 4 0.0750 0.1000 0.0250 11110000 5 0.1000 0.1250 0.0250 11110111 6 0.1250 0.1500 0.0250 11111111 7 0.1500 0.1750 0.0250 11111111 8 0.1750 0.2000 0.0250 11111111 9 0.2000 0.2250 0.0250 11111111 10 0.2250 0.2500 0.0250 11111111 11 0.2500 0.2750 0.0250 01111111 12 0.2750 0.3000 0.0250 00001111 13 0.3000 0.3250 0.0250 00001111 14 0.3250 0.3500 0.0250 00001111 15 0.3500 0.3750 0.0250 00001111 ----- Information about scattering region ----- noins = 0 norb = 8 norbf = 8 nrz = 15 iorb type ibeta ang. mom. m position (a_0) 1 1 1 0 1 taunew( 1)=( 0.0000 0.0000 0.0000) 2 1 2 1 1 taunew( 2)=( 0.0000 0.0000 0.0000) 3 1 2 1 2 taunew( 3)=( 0.0000 0.0000 0.0000) 4 1 2 1 3 taunew( 4)=( 0.0000 0.0000 0.0000) 5 1 1 0 1 taunew( 5)=( 0.0000 0.0000 0.3750) 6 1 2 1 1 taunew( 6)=( 0.0000 0.0000 0.3750) 7 1 2 1 2 taunew( 7)=( 0.0000 0.0000 0.3750) 8 1 2 1 3 taunew( 8)=( 0.0000 0.0000 0.3750) k slab z(k) z(k+1) crossing(iorb=1,norb) 1 0.0000 0.0250 0.0250 11110000 2 0.0250 0.0500 0.0250 11110000 3 0.0500 0.0750 0.0250 11110000 4 0.0750 0.1000 0.0250 11110000 5 0.1000 0.1250 0.0250 11110111 6 0.1250 0.1500 0.0250 11111111 7 0.1500 0.1750 0.0250 11111111 8 0.1750 0.2000 0.0250 11111111 9 0.2000 0.2250 0.0250 11111111 10 0.2250 0.2500 0.0250 11111111 11 0.2500 0.2750 0.0250 01111111 12 0.2750 0.3000 0.0250 00001111 13 0.3000 0.3250 0.0250 00001111 14 0.3250 0.3500 0.0250 00001111 15 0.3500 0.3750 0.0250 00001111 k( 1) = ( 0.0000000 0.0000000), wk = 1.0000000 ngper, shell number = 293 41 ngper, n2d = 293 30 Nchannels of the left tip = 4 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.1149118 0.0000000 2.9500000 0.3599487 0.0000000 2.9500000 0.3599487 0.0000000 2.9500000 -0.3828169 0.0000000 2.9500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.1149118 0.0000000 2.9500000 -0.3599487 0.0000000 2.9500000 -0.3599487 0.0000000 2.9500000 0.3828169 0.0000000 2.9500000 to transmit Band j to band i transmissions and reflections: j i |T_ij|^2 |R_ij|^2 1 --> 1 1.00000 0.00000 1 --> 2 0.00000 0.00000 1 --> 3 0.00000 0.00000 1 --> 4 0.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 2 --> 1 0.00000 0.00000 2 --> 2 1.00000 0.00000 2 --> 3 0.00000 0.00000 2 --> 4 0.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 3 --> 1 0.00000 0.00000 3 --> 2 0.00000 0.00000 3 --> 3 1.00000 0.00000 3 --> 4 0.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 4 --> 1 0.00000 0.00000 4 --> 2 0.00000 0.00000 4 --> 3 0.00000 0.00000 4 --> 4 1.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 E-Ef(ev), T(x2 spins) = 2.9500000 8.0000000 Nchannels of the left tip = 4 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.0957998 0.0000000 2.8500000 0.3541541 0.0000000 2.8500000 0.3541541 0.0000000 2.8500000 -0.3871738 0.0000000 2.8500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.0957998 0.0000000 2.8500000 -0.3541541 0.0000000 2.8500000 -0.3541541 0.0000000 2.8500000 0.3871738 0.0000000 2.8500000 to transmit Band j to band i transmissions and reflections: j i |T_ij|^2 |R_ij|^2 1 --> 1 1.00000 0.00000 1 --> 2 0.00000 0.00000 1 --> 3 0.00000 0.00000 1 --> 4 0.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 2 --> 1 0.00000 0.00000 2 --> 2 1.00000 0.00000 2 --> 3 0.00000 0.00000 2 --> 4 0.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 3 --> 1 0.00000 0.00000 3 --> 2 0.00000 0.00000 3 --> 3 1.00000 0.00000 3 --> 4 0.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 4 --> 1 0.00000 0.00000 4 --> 2 0.00000 0.00000 4 --> 3 0.00000 0.00000 4 --> 4 1.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 E-Ef(ev), T(x2 spins) = 2.8500000 8.0000000 Nchannels of the left tip = 4 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.0719345 0.0000000 2.7500000 0.3482645 0.0000000 2.7500000 0.3482645 0.0000000 2.7500000 -0.3915296 0.0000000 2.7500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.0719345 0.0000000 2.7500000 -0.3482645 0.0000000 2.7500000 -0.3482645 0.0000000 2.7500000 0.3915296 0.0000000 2.7500000 to transmit Band j to band i transmissions and reflections: j i |T_ij|^2 |R_ij|^2 1 --> 1 1.00000 0.00000 1 --> 2 0.00000 0.00000 1 --> 3 0.00000 0.00000 1 --> 4 0.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 2 --> 1 0.00000 0.00000 2 --> 2 1.00000 0.00000 2 --> 3 0.00000 0.00000 2 --> 4 0.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 3 --> 1 0.00000 0.00000 3 --> 2 0.00000 0.00000 3 --> 3 1.00000 0.00000 3 --> 4 0.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 4 --> 1 0.00000 0.00000 4 --> 2 0.00000 0.00000 4 --> 3 0.00000 0.00000 4 --> 4 1.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 E-Ef(ev), T(x2 spins) = 2.7500000 8.0000000 Nchannels of the left tip = 4 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.0345353 0.0000000 2.6500000 0.3422751 0.0000000 2.6500000 0.3422751 0.0000000 2.6500000 -0.3958926 0.0000000 2.6500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.0345353 0.0000000 2.6500000 -0.3422751 0.0000000 2.6500000 -0.3422751 0.0000000 2.6500000 0.3958926 0.0000000 2.6500000 to transmit Band j to band i transmissions and reflections: j i |T_ij|^2 |R_ij|^2 1 --> 1 1.00000 0.00000 1 --> 2 0.00000 0.00000 1 --> 3 0.00000 0.00000 1 --> 4 0.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 2 --> 1 0.00000 0.00000 2 --> 2 1.00000 0.00000 2 --> 3 0.00000 0.00000 2 --> 4 0.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 3 --> 1 0.00000 0.00000 3 --> 2 0.00000 0.00000 3 --> 3 1.00000 0.00000 3 --> 4 0.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 4 --> 1 0.00000 0.00000 4 --> 2 0.00000 0.00000 4 --> 3 0.00000 0.00000 4 --> 4 1.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 E-Ef(ev), T(x2 spins) = 2.6500000 8.0000000 Nchannels of the left tip = 3 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.3361801 0.0000000 2.5500000 0.3361801 0.0000000 2.5500000 -0.4002708 0.0000000 2.5500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.3361801 0.0000000 2.5500000 -0.3361801 0.0000000 2.5500000 0.4002708 0.0000000 2.5500000 to transmit Band j to band i transmissions and reflections: j i |T_ij|^2 |R_ij|^2 1 --> 1 1.00000 0.00000 1 --> 2 0.00000 0.00000 1 --> 3 0.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 2 --> 1 0.00000 0.00000 2 --> 2 1.00000 0.00000 2 --> 3 0.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 3 --> 1 0.00000 0.00000 3 --> 2 0.00000 0.00000 3 --> 3 1.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 E-Ef(ev), T(x2 spins) = 2.5500000 6.0000000 Nchannels of the left tip = 3 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.3299737 0.0000000 2.4500000 0.3299737 0.0000000 2.4500000 -0.4046722 0.0000000 2.4500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.3299737 0.0000000 2.4500000 -0.3299737 0.0000000 2.4500000 0.4046722 0.0000000 2.4500000 to transmit Band j to band i transmissions and reflections: j i |T_ij|^2 |R_ij|^2 1 --> 1 1.00000 0.00000 1 --> 2 0.00000 0.00000 1 --> 3 0.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 2 --> 1 0.00000 0.00000 2 --> 2 1.00000 0.00000 2 --> 3 0.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 3 --> 1 0.00000 0.00000 3 --> 2 0.00000 0.00000 3 --> 3 1.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 E-Ef(ev), T(x2 spins) = 2.4500000 6.0000000 Nchannels of the left tip = 3 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.3236491 0.0000000 2.3500000 0.3236491 0.0000000 2.3500000 -0.4091050 0.0000000 2.3500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.3236491 0.0000000 2.3500000 -0.3236491 0.0000000 2.3500000 0.4091050 0.0000000 2.3500000 to transmit Band j to band i transmissions and reflections: j i |T_ij|^2 |R_ij|^2 1 --> 1 1.00000 0.00000 1 --> 2 0.00000 0.00000 1 --> 3 0.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 2 --> 1 0.00000 0.00000 2 --> 2 1.00000 0.00000 2 --> 3 0.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 3 --> 1 0.00000 0.00000 3 --> 2 0.00000 0.00000 3 --> 3 1.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 E-Ef(ev), T(x2 spins) = 2.3500000 6.0000000 Nchannels of the left tip = 3 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.3171994 0.0000000 2.2500000 0.3171994 0.0000000 2.2500000 -0.4135783 0.0000000 2.2500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.3171994 0.0000000 2.2500000 -0.3171994 0.0000000 2.2500000 0.4135783 0.0000000 2.2500000 to transmit Band j to band i transmissions and reflections: j i |T_ij|^2 |R_ij|^2 1 --> 1 1.00000 0.00000 1 --> 2 0.00000 0.00000 1 --> 3 0.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 2 --> 1 0.00000 0.00000 2 --> 2 1.00000 0.00000 2 --> 3 0.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 3 --> 1 0.00000 0.00000 3 --> 2 0.00000 0.00000 3 --> 3 1.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 E-Ef(ev), T(x2 spins) = 2.2500000 6.0000000 Nchannels of the left tip = 3 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.3106164 0.0000000 2.1500000 0.3106164 0.0000000 2.1500000 -0.4181021 0.0000000 2.1500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.3106164 0.0000000 2.1500000 -0.3106164 0.0000000 2.1500000 0.4181021 0.0000000 2.1500000 to transmit Band j to band i transmissions and reflections: j i |T_ij|^2 |R_ij|^2 1 --> 1 1.00000 0.00000 1 --> 2 0.00000 0.00000 1 --> 3 0.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 2 --> 1 0.00000 0.00000 2 --> 2 1.00000 0.00000 2 --> 3 0.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 3 --> 1 0.00000 0.00000 3 --> 2 0.00000 0.00000 3 --> 3 1.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 E-Ef(ev), T(x2 spins) = 2.1500000 6.0000000 Nchannels of the left tip = 3 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.3038914 0.0000000 2.0500000 0.3038914 0.0000000 2.0500000 -0.4226881 0.0000000 2.0500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.3038914 0.0000000 2.0500000 -0.3038914 0.0000000 2.0500000 0.4226881 0.0000000 2.0500000 to transmit Band j to band i transmissions and reflections: j i |T_ij|^2 |R_ij|^2 1 --> 1 1.00000 0.00000 1 --> 2 0.00000 0.00000 1 --> 3 0.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 2 --> 1 0.00000 0.00000 2 --> 2 1.00000 0.00000 2 --> 3 0.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 3 --> 1 0.00000 0.00000 3 --> 2 0.00000 0.00000 3 --> 3 1.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 E-Ef(ev), T(x2 spins) = 2.0500000 6.0000000 Nchannels of the left tip = 3 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.2970147 0.0000000 1.9500000 0.2970147 0.0000000 1.9500000 -0.4273503 0.0000000 1.9500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.2970147 0.0000000 1.9500000 -0.2970147 0.0000000 1.9500000 0.4273503 0.0000000 1.9500000 to transmit Band j to band i transmissions and reflections: j i |T_ij|^2 |R_ij|^2 1 --> 1 1.00000 0.00000 1 --> 2 0.00000 0.00000 1 --> 3 0.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 2 --> 1 0.00000 0.00000 2 --> 2 1.00000 0.00000 2 --> 3 0.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 3 --> 1 0.00000 0.00000 3 --> 2 0.00000 0.00000 3 --> 3 1.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 E-Ef(ev), T(x2 spins) = 1.9500000 6.0000000 Nchannels of the left tip = 3 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.2899755 0.0000000 1.8500000 0.2899755 0.0000000 1.8500000 -0.4321062 0.0000000 1.8500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.2899755 0.0000000 1.8500000 -0.2899755 0.0000000 1.8500000 0.4321062 0.0000000 1.8500000 to transmit Band j to band i transmissions and reflections: j i |T_ij|^2 |R_ij|^2 1 --> 1 1.00000 0.00000 1 --> 2 0.00000 0.00000 1 --> 3 0.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 2 --> 1 0.00000 0.00000 2 --> 2 1.00000 0.00000 2 --> 3 0.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 3 --> 1 0.00000 0.00000 3 --> 2 0.00000 0.00000 3 --> 3 1.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 E-Ef(ev), T(x2 spins) = 1.8500000 6.0000000 Nchannels of the left tip = 3 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.2827614 0.0000000 1.7500000 0.2827614 0.0000000 1.7500000 -0.4369784 0.0000000 1.7500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.2827614 0.0000000 1.7500000 -0.2827614 0.0000000 1.7500000 0.4369784 0.0000000 1.7500000 to transmit Band j to band i transmissions and reflections: j i |T_ij|^2 |R_ij|^2 1 --> 1 1.00000 0.00000 1 --> 2 0.00000 0.00000 1 --> 3 0.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 2 --> 1 0.00000 0.00000 2 --> 2 1.00000 0.00000 2 --> 3 0.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 3 --> 1 0.00000 0.00000 3 --> 2 0.00000 0.00000 3 --> 3 1.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 E-Ef(ev), T(x2 spins) = 1.7500000 6.0000000 Nchannels of the left tip = 3 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.2753586 0.0000000 1.6500000 0.2753586 0.0000000 1.6500000 -0.4419967 0.0000000 1.6500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.2753586 0.0000000 1.6500000 -0.2753586 0.0000000 1.6500000 0.4419967 0.0000000 1.6500000 to transmit Band j to band i transmissions and reflections: j i |T_ij|^2 |R_ij|^2 1 --> 1 1.00000 0.00000 1 --> 2 0.00000 0.00000 1 --> 3 0.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 2 --> 1 0.00000 0.00000 2 --> 2 1.00000 0.00000 2 --> 3 0.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 3 --> 1 0.00000 0.00000 3 --> 2 0.00000 0.00000 3 --> 3 1.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 E-Ef(ev), T(x2 spins) = 1.6500000 6.0000000 Nchannels of the left tip = 3 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.2677514 0.0000000 1.5500000 0.2677514 0.0000000 1.5500000 -0.4472033 0.0000000 1.5500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.2677514 0.0000000 1.5500000 -0.2677514 0.0000000 1.5500000 0.4472033 0.0000000 1.5500000 to transmit Band j to band i transmissions and reflections: j i |T_ij|^2 |R_ij|^2 1 --> 1 1.00000 0.00000 1 --> 2 0.00000 0.00000 1 --> 3 0.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 2 --> 1 0.00000 0.00000 2 --> 2 1.00000 0.00000 2 --> 3 0.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 3 --> 1 0.00000 0.00000 3 --> 2 0.00000 0.00000 3 --> 3 1.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 E-Ef(ev), T(x2 spins) = 1.5500000 6.0000000 Nchannels of the left tip = 3 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.2599219 0.0000000 1.4500000 0.2599219 0.0000000 1.4500000 -0.4526598 0.0000000 1.4500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.2599219 0.0000000 1.4500000 -0.2599219 0.0000000 1.4500000 0.4526598 0.0000000 1.4500000 to transmit Band j to band i transmissions and reflections: j i |T_ij|^2 |R_ij|^2 1 --> 1 1.00000 0.00000 1 --> 2 0.00000 0.00000 1 --> 3 0.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 2 --> 1 0.00000 0.00000 2 --> 2 1.00000 0.00000 2 --> 3 0.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 3 --> 1 0.00000 0.00000 3 --> 2 0.00000 0.00000 3 --> 3 1.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 E-Ef(ev), T(x2 spins) = 1.4500000 6.0000000 Nchannels of the left tip = 3 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.2518491 0.0000000 1.3500000 0.2518491 0.0000000 1.3500000 -0.4584639 0.0000000 1.3500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.2518491 0.0000000 1.3500000 -0.2518491 0.0000000 1.3500000 0.4584639 0.0000000 1.3500000 to transmit Band j to band i transmissions and reflections: j i |T_ij|^2 |R_ij|^2 1 --> 1 1.00000 0.00000 1 --> 2 0.00000 0.00000 1 --> 3 0.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 2 --> 1 0.00000 0.00000 2 --> 2 1.00000 0.00000 2 --> 3 0.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 3 --> 1 0.00000 0.00000 3 --> 2 0.00000 0.00000 3 --> 3 1.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 E-Ef(ev), T(x2 spins) = 1.3500000 6.0000000 Nchannels of the left tip = 3 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.2435089 0.0000000 1.2500000 0.2435089 0.0000000 1.2500000 -0.4647850 0.0000000 1.2500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.2435089 0.0000000 1.2500000 -0.2435089 0.0000000 1.2500000 0.4647850 0.0000000 1.2500000 to transmit Band j to band i transmissions and reflections: j i |T_ij|^2 |R_ij|^2 1 --> 1 1.00000 0.00000 1 --> 2 0.00000 0.00000 1 --> 3 0.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 2 --> 1 0.00000 0.00000 2 --> 2 1.00000 0.00000 2 --> 3 0.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 3 --> 1 0.00000 0.00000 3 --> 2 0.00000 0.00000 3 --> 3 1.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 E-Ef(ev), T(x2 spins) = 1.2500000 6.0000000 Nchannels of the left tip = 3 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.2348727 0.0000000 1.1500000 0.2348727 0.0000000 1.1500000 -0.4719682 0.0000000 1.1500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.2348727 0.0000000 1.1500000 -0.2348727 0.0000000 1.1500000 0.4719682 0.0000000 1.1500000 to transmit Band j to band i transmissions and reflections: j i |T_ij|^2 |R_ij|^2 1 --> 1 1.00000 0.00000 1 --> 2 0.00000 0.00000 1 --> 3 0.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 2 --> 1 0.00000 0.00000 2 --> 2 1.00000 0.00000 2 --> 3 0.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 3 --> 1 0.00000 0.00000 3 --> 2 0.00000 0.00000 3 --> 3 1.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 E-Ef(ev), T(x2 spins) = 1.1500000 6.0000000 Nchannels of the left tip = 3 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.2259064 0.0000000 1.0500000 0.2259064 0.0000000 1.0500000 -0.4809602 0.0000000 1.0500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.2259064 0.0000000 1.0500000 -0.2259064 0.0000000 1.0500000 0.4809602 0.0000000 1.0500000 to transmit Band j to band i transmissions and reflections: j i |T_ij|^2 |R_ij|^2 1 --> 1 1.00000 0.00000 1 --> 2 0.00000 0.00000 1 --> 3 0.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 2 --> 1 0.00000 0.00000 2 --> 2 1.00000 0.00000 2 --> 3 0.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 3 --> 1 0.00000 0.00000 3 --> 2 0.00000 0.00000 3 --> 3 1.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 E-Ef(ev), T(x2 spins) = 1.0500000 6.0000000 Nchannels of the left tip = 2 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.2165692 0.0000000 0.9500000 0.2165692 0.0000000 0.9500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.2165692 0.0000000 0.9500000 -0.2165692 0.0000000 0.9500000 to transmit Band j to band i transmissions and reflections: j i |T_ij|^2 |R_ij|^2 1 --> 1 1.00000 0.00000 1 --> 2 0.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 2 --> 1 0.00000 0.00000 2 --> 2 1.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 E-Ef(ev), T(x2 spins) = 0.9500000 4.0000000 Nchannels of the left tip = 2 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.2068106 0.0000000 0.8500000 0.2068106 0.0000000 0.8500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.2068106 0.0000000 0.8500000 -0.2068106 0.0000000 0.8500000 to transmit Band j to band i transmissions and reflections: j i |T_ij|^2 |R_ij|^2 1 --> 1 1.00000 0.00000 1 --> 2 0.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 2 --> 1 0.00000 0.00000 2 --> 2 1.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 E-Ef(ev), T(x2 spins) = 0.8500000 4.0000000 Nchannels of the left tip = 2 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.1965679 0.0000000 0.7500000 0.1965679 0.0000000 0.7500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.1965679 0.0000000 0.7500000 -0.1965679 0.0000000 0.7500000 to transmit Band j to band i transmissions and reflections: j i |T_ij|^2 |R_ij|^2 1 --> 1 1.00000 0.00000 1 --> 2 0.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 2 --> 1 0.00000 0.00000 2 --> 2 1.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 E-Ef(ev), T(x2 spins) = 0.7500000 4.0000000 Nchannels of the left tip = 2 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.1857609 0.0000000 0.6500000 0.1857609 0.0000000 0.6500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.1857609 0.0000000 0.6500000 -0.1857609 0.0000000 0.6500000 to transmit Band j to band i transmissions and reflections: j i |T_ij|^2 |R_ij|^2 1 --> 1 1.00000 0.00000 1 --> 2 0.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 2 --> 1 0.00000 0.00000 2 --> 2 1.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 E-Ef(ev), T(x2 spins) = 0.6500000 4.0000000 Nchannels of the left tip = 2 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.1742848 0.0000000 0.5500000 0.1742848 0.0000000 0.5500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.1742848 0.0000000 0.5500000 -0.1742848 0.0000000 0.5500000 to transmit Band j to band i transmissions and reflections: j i |T_ij|^2 |R_ij|^2 1 --> 1 1.00000 0.00000 1 --> 2 0.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 2 --> 1 0.00000 0.00000 2 --> 2 1.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 E-Ef(ev), T(x2 spins) = 0.5500000 4.0000000 Nchannels of the left tip = 2 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.1619972 0.0000000 0.4500000 0.1619972 0.0000000 0.4500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.1619972 0.0000000 0.4500000 -0.1619972 0.0000000 0.4500000 to transmit Band j to band i transmissions and reflections: j i |T_ij|^2 |R_ij|^2 1 --> 1 1.00000 0.00000 1 --> 2 0.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 2 --> 1 0.00000 0.00000 2 --> 2 1.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 E-Ef(ev), T(x2 spins) = 0.4500000 4.0000000 Nchannels of the left tip = 2 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.1486972 0.0000000 0.3500000 0.1486972 0.0000000 0.3500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.1486972 0.0000000 0.3500000 -0.1486972 0.0000000 0.3500000 to transmit Band j to band i transmissions and reflections: j i |T_ij|^2 |R_ij|^2 1 --> 1 1.00000 0.00000 1 --> 2 0.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 2 --> 1 0.00000 0.00000 2 --> 2 1.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 E-Ef(ev), T(x2 spins) = 0.3500000 4.0000000 Nchannels of the left tip = 2 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.1340838 0.0000000 0.2500000 0.1340838 0.0000000 0.2500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.1340838 0.0000000 0.2500000 -0.1340838 0.0000000 0.2500000 to transmit Band j to band i transmissions and reflections: j i |T_ij|^2 |R_ij|^2 1 --> 1 1.00000 0.00000 1 --> 2 0.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 2 --> 1 0.00000 0.00000 2 --> 2 1.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 E-Ef(ev), T(x2 spins) = 0.2500000 4.0000000 Nchannels of the left tip = 2 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.1176685 0.0000000 0.1500000 0.1176685 0.0000000 0.1500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.1176685 0.0000000 0.1500000 -0.1176685 0.0000000 0.1500000 to transmit Band j to band i transmissions and reflections: j i |T_ij|^2 |R_ij|^2 1 --> 1 1.00000 0.00000 1 --> 2 0.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 2 --> 1 0.00000 0.00000 2 --> 2 1.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 E-Ef(ev), T(x2 spins) = 0.1500000 4.0000000 Nchannels of the left tip = 2 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.0985551 0.0000000 0.0500000 0.0985551 0.0000000 0.0500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.0985551 0.0000000 0.0500000 -0.0985551 0.0000000 0.0500000 to transmit Band j to band i transmissions and reflections: j i |T_ij|^2 |R_ij|^2 1 --> 1 1.00000 0.00000 1 --> 2 0.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 2 --> 1 0.00000 0.00000 2 --> 2 1.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 E-Ef(ev), T(x2 spins) = 0.0500000 4.0000000 Nchannels of the left tip = 2 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.0747004 0.0000000 -0.0500000 0.0747004 0.0000000 -0.0500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.0747004 0.0000000 -0.0500000 -0.0747004 0.0000000 -0.0500000 to transmit Band j to band i transmissions and reflections: j i |T_ij|^2 |R_ij|^2 1 --> 1 1.00000 0.00000 1 --> 2 0.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 2 --> 1 0.00000 0.00000 2 --> 2 1.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 E-Ef(ev), T(x2 spins) = -0.0500000 4.0000000 Nchannels of the left tip = 2 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.0380392 0.0000000 -0.1500000 0.0380392 0.0000000 -0.1500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.0380392 0.0000000 -0.1500000 -0.0380392 0.0000000 -0.1500000 to transmit Band j to band i transmissions and reflections: j i |T_ij|^2 |R_ij|^2 1 --> 1 1.00000 0.00000 1 --> 2 0.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 2 --> 1 0.00000 0.00000 2 --> 2 1.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 E-Ef(ev), T(x2 spins) = -0.1500000 4.0000000 Nchannels of the left tip = 0 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) to transmit E-Ef(ev), T = 0.0000000 0.0000000 Nchannels of the left tip = 0 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) to transmit E-Ef(ev), T = 0.0000000 0.0000000 Nchannels of the left tip = 0 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) to transmit E-Ef(ev), T = 0.0000000 0.0000000 Nchannels of the left tip = 0 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) to transmit E-Ef(ev), T = 0.0000000 0.0000000 Nchannels of the left tip = 0 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) to transmit E-Ef(ev), T = 0.0000000 0.0000000 Nchannels of the left tip = 0 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) to transmit E-Ef(ev), T = 0.0000000 0.0000000 Nchannels of the left tip = 0 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) to transmit E-Ef(ev), T = 0.0000000 0.0000000 Nchannels of the left tip = 0 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) to transmit E-Ef(ev), T = 0.0000000 0.0000000 Nchannels of the left tip = 0 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) to transmit E-Ef(ev), T = 0.0000000 0.0000000 Nchannels of the left tip = 0 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) to transmit E-Ef(ev), T = 0.0000000 0.0000000 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.4872248 0.0000000 -1.2500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.4872248 0.0000000 -1.2500000 to transmit Band j to band i transmissions and reflections: j i |T_ij|^2 |R_ij|^2 1 --> 1 1.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 E-Ef(ev), T(x2 spins) = -1.2500000 2.0000000 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.4748277 0.0000000 -1.3500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.4748277 0.0000000 -1.3500000 to transmit Band j to band i transmissions and reflections: j i |T_ij|^2 |R_ij|^2 1 --> 1 1.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 E-Ef(ev), T(x2 spins) = -1.3500000 2.0000000 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.4660651 0.0000000 -1.4500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.4660651 0.0000000 -1.4500000 to transmit Band j to band i transmissions and reflections: j i |T_ij|^2 |R_ij|^2 1 --> 1 1.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 E-Ef(ev), T(x2 spins) = -1.4500000 2.0000000 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.4585482 0.0000000 -1.5500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.4585482 0.0000000 -1.5500000 to transmit Band j to band i transmissions and reflections: j i |T_ij|^2 |R_ij|^2 1 --> 1 1.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 E-Ef(ev), T(x2 spins) = -1.5500000 2.0000000 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.4516784 0.0000000 -1.6500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.4516784 0.0000000 -1.6500000 to transmit Band j to band i transmissions and reflections: j i |T_ij|^2 |R_ij|^2 1 --> 1 1.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 E-Ef(ev), T(x2 spins) = -1.6500000 2.0000000 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.4451990 0.0000000 -1.7500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.4451990 0.0000000 -1.7500000 to transmit Band j to band i transmissions and reflections: j i |T_ij|^2 |R_ij|^2 1 --> 1 1.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 E-Ef(ev), T(x2 spins) = -1.7500000 2.0000000 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.4389735 0.0000000 -1.8500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.4389735 0.0000000 -1.8500000 to transmit Band j to band i transmissions and reflections: j i |T_ij|^2 |R_ij|^2 1 --> 1 1.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 E-Ef(ev), T(x2 spins) = -1.8500000 2.0000000 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.4329196 0.0000000 -1.9500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.4329196 0.0000000 -1.9500000 to transmit Band j to band i transmissions and reflections: j i |T_ij|^2 |R_ij|^2 1 --> 1 1.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 E-Ef(ev), T(x2 spins) = -1.9500000 2.0000000 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.4269833 0.0000000 -2.0500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.4269833 0.0000000 -2.0500000 to transmit Band j to band i transmissions and reflections: j i |T_ij|^2 |R_ij|^2 1 --> 1 1.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 E-Ef(ev), T(x2 spins) = -2.0500000 2.0000000 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.4211271 0.0000000 -2.1500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.4211271 0.0000000 -2.1500000 to transmit Band j to band i transmissions and reflections: j i |T_ij|^2 |R_ij|^2 1 --> 1 1.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 E-Ef(ev), T(x2 spins) = -2.1500000 2.0000000 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.4153233 0.0000000 -2.2500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.4153233 0.0000000 -2.2500000 to transmit Band j to band i transmissions and reflections: j i |T_ij|^2 |R_ij|^2 1 --> 1 1.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 E-Ef(ev), T(x2 spins) = -2.2500000 2.0000000 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.4095510 0.0000000 -2.3500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.4095510 0.0000000 -2.3500000 to transmit Band j to band i transmissions and reflections: j i |T_ij|^2 |R_ij|^2 1 --> 1 1.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 E-Ef(ev), T(x2 spins) = -2.3500000 2.0000000 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.4037937 0.0000000 -2.4500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.4037937 0.0000000 -2.4500000 to transmit Band j to band i transmissions and reflections: j i |T_ij|^2 |R_ij|^2 1 --> 1 1.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 E-Ef(ev), T(x2 spins) = -2.4500000 2.0000000 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.3980379 0.0000000 -2.5500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.3980379 0.0000000 -2.5500000 to transmit Band j to band i transmissions and reflections: j i |T_ij|^2 |R_ij|^2 1 --> 1 1.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 E-Ef(ev), T(x2 spins) = -2.5500000 2.0000000 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.3922723 0.0000000 -2.6500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.3922723 0.0000000 -2.6500000 to transmit Band j to band i transmissions and reflections: j i |T_ij|^2 |R_ij|^2 1 --> 1 1.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 E-Ef(ev), T(x2 spins) = -2.6500000 2.0000000 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.3864872 0.0000000 -2.7500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.3864872 0.0000000 -2.7500000 to transmit Band j to band i transmissions and reflections: j i |T_ij|^2 |R_ij|^2 1 --> 1 1.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 E-Ef(ev), T(x2 spins) = -2.7500000 2.0000000 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.3806740 0.0000000 -2.8500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.3806740 0.0000000 -2.8500000 to transmit Band j to band i transmissions and reflections: j i |T_ij|^2 |R_ij|^2 1 --> 1 1.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 E-Ef(ev), T(x2 spins) = -2.8500000 2.0000000 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.3748251 0.0000000 -2.9500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.3748251 0.0000000 -2.9500000 to transmit Band j to band i transmissions and reflections: j i |T_ij|^2 |R_ij|^2 1 --> 1 1.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 E-Ef(ev), T(x2 spins) = -2.9500000 2.0000000 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.3689332 0.0000000 -3.0500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.3689332 0.0000000 -3.0500000 to transmit Band j to band i transmissions and reflections: j i |T_ij|^2 |R_ij|^2 1 --> 1 1.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 E-Ef(ev), T(x2 spins) = -3.0500000 2.0000000 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.3629915 0.0000000 -3.1500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.3629915 0.0000000 -3.1500000 to transmit Band j to band i transmissions and reflections: j i |T_ij|^2 |R_ij|^2 1 --> 1 1.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 E-Ef(ev), T(x2 spins) = -3.1500000 2.0000000 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.3569937 0.0000000 -3.2500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.3569937 0.0000000 -3.2500000 to transmit Band j to band i transmissions and reflections: j i |T_ij|^2 |R_ij|^2 1 --> 1 1.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 E-Ef(ev), T(x2 spins) = -3.2500000 2.0000000 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.3509331 0.0000000 -3.3500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.3509331 0.0000000 -3.3500000 to transmit Band j to band i transmissions and reflections: j i |T_ij|^2 |R_ij|^2 1 --> 1 1.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 E-Ef(ev), T(x2 spins) = -3.3500000 2.0000000 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.3448036 0.0000000 -3.4500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.3448036 0.0000000 -3.4500000 to transmit Band j to band i transmissions and reflections: j i |T_ij|^2 |R_ij|^2 1 --> 1 1.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 E-Ef(ev), T(x2 spins) = -3.4500000 2.0000000 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.3385986 0.0000000 -3.5500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.3385986 0.0000000 -3.5500000 to transmit Band j to band i transmissions and reflections: j i |T_ij|^2 |R_ij|^2 1 --> 1 1.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 E-Ef(ev), T(x2 spins) = -3.5500000 2.0000000 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.3323114 0.0000000 -3.6500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.3323114 0.0000000 -3.6500000 to transmit Band j to band i transmissions and reflections: j i |T_ij|^2 |R_ij|^2 1 --> 1 1.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 E-Ef(ev), T(x2 spins) = -3.6500000 2.0000000 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.3259352 0.0000000 -3.7500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.3259352 0.0000000 -3.7500000 to transmit Band j to band i transmissions and reflections: j i |T_ij|^2 |R_ij|^2 1 --> 1 1.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 E-Ef(ev), T(x2 spins) = -3.7500000 2.0000000 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.3194626 0.0000000 -3.8500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.3194626 0.0000000 -3.8500000 to transmit Band j to band i transmissions and reflections: j i |T_ij|^2 |R_ij|^2 1 --> 1 1.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 E-Ef(ev), T(x2 spins) = -3.8500000 2.0000000 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.3128860 0.0000000 -3.9500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.3128860 0.0000000 -3.9500000 to transmit Band j to band i transmissions and reflections: j i |T_ij|^2 |R_ij|^2 1 --> 1 1.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 E-Ef(ev), T(x2 spins) = -3.9500000 2.0000000 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.3061970 0.0000000 -4.0500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.3061970 0.0000000 -4.0500000 to transmit Band j to band i transmissions and reflections: j i |T_ij|^2 |R_ij|^2 1 --> 1 1.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 E-Ef(ev), T(x2 spins) = -4.0500000 2.0000000 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.2993867 0.0000000 -4.1500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.2993867 0.0000000 -4.1500000 to transmit Band j to band i transmissions and reflections: j i |T_ij|^2 |R_ij|^2 1 --> 1 1.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 E-Ef(ev), T(x2 spins) = -4.1500000 2.0000000 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.2924451 0.0000000 -4.2500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.2924451 0.0000000 -4.2500000 to transmit Band j to band i transmissions and reflections: j i |T_ij|^2 |R_ij|^2 1 --> 1 1.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 E-Ef(ev), T(x2 spins) = -4.2500000 2.0000000 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.2853617 0.0000000 -4.3500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.2853617 0.0000000 -4.3500000 to transmit Band j to band i transmissions and reflections: j i |T_ij|^2 |R_ij|^2 1 --> 1 1.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 E-Ef(ev), T(x2 spins) = -4.3500000 2.0000000 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.2781243 0.0000000 -4.4500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.2781243 0.0000000 -4.4500000 to transmit Band j to band i transmissions and reflections: j i |T_ij|^2 |R_ij|^2 1 --> 1 1.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 E-Ef(ev), T(x2 spins) = -4.4500000 2.0000000 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.2707195 0.0000000 -4.5500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.2707195 0.0000000 -4.5500000 to transmit Band j to band i transmissions and reflections: j i |T_ij|^2 |R_ij|^2 1 --> 1 1.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 E-Ef(ev), T(x2 spins) = -4.5500000 2.0000000 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.2631323 0.0000000 -4.6500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.2631323 0.0000000 -4.6500000 to transmit Band j to band i transmissions and reflections: j i |T_ij|^2 |R_ij|^2 1 --> 1 1.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 E-Ef(ev), T(x2 spins) = -4.6500000 2.0000000 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.2553455 0.0000000 -4.7500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.2553455 0.0000000 -4.7500000 to transmit Band j to band i transmissions and reflections: j i |T_ij|^2 |R_ij|^2 1 --> 1 1.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 E-Ef(ev), T(x2 spins) = -4.7500000 2.0000000 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.2473393 0.0000000 -4.8500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.2473393 0.0000000 -4.8500000 to transmit Band j to band i transmissions and reflections: j i |T_ij|^2 |R_ij|^2 1 --> 1 1.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 E-Ef(ev), T(x2 spins) = -4.8500000 2.0000000 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.2390909 0.0000000 -4.9500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.2390909 0.0000000 -4.9500000 to transmit Band j to band i transmissions and reflections: j i |T_ij|^2 |R_ij|^2 1 --> 1 1.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 E-Ef(ev), T(x2 spins) = -4.9500000 2.0000000 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.2305736 0.0000000 -5.0500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.2305736 0.0000000 -5.0500000 to transmit Band j to band i transmissions and reflections: j i |T_ij|^2 |R_ij|^2 1 --> 1 1.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 E-Ef(ev), T(x2 spins) = -5.0500000 2.0000000 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.2217556 0.0000000 -5.1500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.2217556 0.0000000 -5.1500000 to transmit Band j to band i transmissions and reflections: j i |T_ij|^2 |R_ij|^2 1 --> 1 1.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 E-Ef(ev), T(x2 spins) = -5.1500000 2.0000000 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.2125988 0.0000000 -5.2500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.2125988 0.0000000 -5.2500000 to transmit Band j to band i transmissions and reflections: j i |T_ij|^2 |R_ij|^2 1 --> 1 1.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 E-Ef(ev), T(x2 spins) = -5.2500000 2.0000000 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.2030567 0.0000000 -5.3500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.2030567 0.0000000 -5.3500000 to transmit Band j to band i transmissions and reflections: j i |T_ij|^2 |R_ij|^2 1 --> 1 1.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 E-Ef(ev), T(x2 spins) = -5.3500000 2.0000000 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.1930716 0.0000000 -5.4500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.1930716 0.0000000 -5.4500000 to transmit Band j to band i transmissions and reflections: j i |T_ij|^2 |R_ij|^2 1 --> 1 1.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 E-Ef(ev), T(x2 spins) = -5.4500000 2.0000000 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.1825701 0.0000000 -5.5500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.1825701 0.0000000 -5.5500000 to transmit Band j to band i transmissions and reflections: j i |T_ij|^2 |R_ij|^2 1 --> 1 1.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 E-Ef(ev), T(x2 spins) = -5.5500000 2.0000000 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.1714567 0.0000000 -5.6500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.1714567 0.0000000 -5.6500000 to transmit Band j to band i transmissions and reflections: j i |T_ij|^2 |R_ij|^2 1 --> 1 1.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 E-Ef(ev), T(x2 spins) = -5.6500000 2.0000000 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.1596031 0.0000000 -5.7500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.1596031 0.0000000 -5.7500000 to transmit Band j to band i transmissions and reflections: j i |T_ij|^2 |R_ij|^2 1 --> 1 1.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 E-Ef(ev), T(x2 spins) = -5.7500000 2.0000000 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.1468294 0.0000000 -5.8500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.1468294 0.0000000 -5.8500000 to transmit Band j to band i transmissions and reflections: j i |T_ij|^2 |R_ij|^2 1 --> 1 1.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 E-Ef(ev), T(x2 spins) = -5.8500000 2.0000000 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.1328700 0.0000000 -5.9500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.1328700 0.0000000 -5.9500000 to transmit Band j to band i transmissions and reflections: j i |T_ij|^2 |R_ij|^2 1 --> 1 1.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 E-Ef(ev), T(x2 spins) = -5.9500000 2.0000000 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.1173015 0.0000000 -6.0500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.1173015 0.0000000 -6.0500000 to transmit Band j to band i transmissions and reflections: j i |T_ij|^2 |R_ij|^2 1 --> 1 1.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 E-Ef(ev), T(x2 spins) = -6.0500000 2.0000000 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.0993700 0.0000000 -6.1500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.0993700 0.0000000 -6.1500000 to transmit Band j to band i transmissions and reflections: j i |T_ij|^2 |R_ij|^2 1 --> 1 1.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 E-Ef(ev), T(x2 spins) = -6.1500000 2.0000000 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.0774501 0.0000000 -6.2500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.0774501 0.0000000 -6.2500000 to transmit Band j to band i transmissions and reflections: j i |T_ij|^2 |R_ij|^2 1 --> 1 1.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 E-Ef(ev), T(x2 spins) = -6.2500000 2.0000000 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.0461726 0.0000000 -6.3500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.0461726 0.0000000 -6.3500000 to transmit Band j to band i transmissions and reflections: j i |T_ij|^2 |R_ij|^2 1 --> 1 1.00000 0.00000 Total T_j, R_j = 1.00000 0.00000 E-Ef(ev), T(x2 spins) = -6.3500000 2.0000000 Nchannels of the left tip = 0 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) to transmit E-Ef(ev), T = 0.0000000 0.0000000 Nchannels of the left tip = 0 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) to transmit E-Ef(ev), T = 0.0000000 0.0000000 Nchannels of the left tip = 0 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) to transmit E-Ef(ev), T = 0.0000000 0.0000000 Nchannels of the left tip = 0 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) to transmit E-Ef(ev), T = 0.0000000 0.0000000 Nchannels of the left tip = 0 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) to transmit E-Ef(ev), T = 0.0000000 0.0000000 Nchannels of the left tip = 0 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) to transmit E-Ef(ev), T = 0.0000000 0.0000000 PWCOND : 38.82s CPU time, 39.12s wall time init : 1.00s CPU poten : 0.02s CPU ( 2 calls, 0.010 s avg) local : 5.82s CPU scatter_forw : 27.36s CPU ( 200 calls, 0.137 s avg) compbs : 4.03s CPU ( 100 calls, 0.040 s avg) compbs_2 : 3.36s CPU ( 100 calls, 0.034 s avg)