mirror of https://gitlab.com/QEF/q-e.git
2110 lines
65 KiB
Plaintext
2110 lines
65 KiB
Plaintext
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Program POST-PROC v.4.1CVS starts ...
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Today is 26Feb2009 at 17: 8:27
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===== INPUT FILE containing the left lead =====
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GEOMETRY:
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lattice parameter (a_0) = 12.0000 a.u.
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the volume = 648.0000 (a.u.)^3
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the cross section = 144.0000 (a.u.)^2
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l of the unit cell = 0.3750 (a_0)
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number of atoms/cell = 1
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number of atomic types = 1
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crystal axes: (cart. coord. in units of a_0)
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a(1) = ( 1.0000 0.0000 0.0000 )
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a(2) = ( 0.0000 1.0000 0.0000 )
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a(3) = ( 0.0000 0.0000 0.3750 )
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Cartesian axes
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site n. atom positions (a_0 units)
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1 Al tau( 1)=( 0.0000 0.0000 0.3750 )
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nr1s = 40
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nr2s = 40
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nr3s = 15
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nrx1s = 40
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nrx2s = 40
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nrx3s = 15
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nr1 = 48
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nr2 = 48
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nr3 = 18
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nrx1 = 48
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nrx2 = 48
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nrx3 = 18
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_______________________________
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Radii of nonlocal spheres:
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type ibeta ang. mom. radius (a_0 units)
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Al 1 0 0.2260
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Al 2 1 0.2561
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===== INPUT FILE containing the scat. region =====
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GEOMETRY:
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lattice parameter (a_0) = 12.0000 a.u.
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the volume = 648.0000 (a.u.)^3
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the cross section = 144.0000 (a.u.)^2
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l of the unit cell = 0.3750 (a_0)
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number of atoms/cell = 1
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number of atomic types = 1
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crystal axes: (cart. coord. in units of a_0)
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a(1) = ( 1.0000 0.0000 0.0000 )
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a(2) = ( 0.0000 1.0000 0.0000 )
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a(3) = ( 0.0000 0.0000 0.3750 )
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Cartesian axes
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site n. atom positions (a_0 units)
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1 Al tau( 1)=( 0.0000 0.0000 0.3750 )
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nr1s = 40
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nr2s = 40
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nr3s = 15
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nrx1s = 40
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nrx2s = 40
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nrx3s = 15
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nr1 = 48
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nr2 = 48
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nr3 = 18
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nrx1 = 48
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nrx2 = 48
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nrx3 = 18
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_______________________________
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Radii of nonlocal spheres:
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type ibeta ang. mom. radius (a_0 units)
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Al 1 0 0.2260
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Al 2 1 0.2561
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----- General information -----
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--- T calc. with identical leads (ikind=1) ---
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nrx = 40
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nry = 40
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nz1 = 1
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energy0 = 3.0E+00
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denergy = -1.0E-01
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nenergy = 100
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ecut2d = 2.5E+01
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ewind = 1.0E+00
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epsproj = 1.0E-03
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number of k_|| points= 1
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cart. coord. in units 2pi/a_0
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k( 1) = ( 0.0000000 0.0000000), wk = 1.0000000
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----- Information about left/right lead -----
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nocros = 4
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noins = 0
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norb = 8
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norbf = 8
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nrz = 15
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iorb type ibeta ang. mom. m position (a_0)
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1 1 1 0 1 taunew( 1)=( 0.0000 0.0000 0.0000)
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2 1 2 1 1 taunew( 2)=( 0.0000 0.0000 0.0000)
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3 1 2 1 2 taunew( 3)=( 0.0000 0.0000 0.0000)
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4 1 2 1 3 taunew( 4)=( 0.0000 0.0000 0.0000)
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5 1 1 0 1 taunew( 5)=( 0.0000 0.0000 0.3750)
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6 1 2 1 1 taunew( 6)=( 0.0000 0.0000 0.3750)
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7 1 2 1 2 taunew( 7)=( 0.0000 0.0000 0.3750)
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8 1 2 1 3 taunew( 8)=( 0.0000 0.0000 0.3750)
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k slab z(k) z(k+1) crossing(iorb=1,norb)
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1 0.0000 0.0250 0.0250 11110000
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2 0.0250 0.0500 0.0250 11110000
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3 0.0500 0.0750 0.0250 11110000
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4 0.0750 0.1000 0.0250 11110000
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5 0.1000 0.1250 0.0250 11110111
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6 0.1250 0.1500 0.0250 11111111
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7 0.1500 0.1750 0.0250 11111111
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8 0.1750 0.2000 0.0250 11111111
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9 0.2000 0.2250 0.0250 11111111
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10 0.2250 0.2500 0.0250 11111111
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11 0.2500 0.2750 0.0250 01111111
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12 0.2750 0.3000 0.0250 00001111
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13 0.3000 0.3250 0.0250 00001111
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14 0.3250 0.3500 0.0250 00001111
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15 0.3500 0.3750 0.0250 00001111
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----- Information about scattering region -----
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noins = 0
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norb = 8
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norbf = 8
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nrz = 15
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iorb type ibeta ang. mom. m position (a_0)
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1 1 1 0 1 taunew( 1)=( 0.0000 0.0000 0.0000)
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2 1 2 1 1 taunew( 2)=( 0.0000 0.0000 0.0000)
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3 1 2 1 2 taunew( 3)=( 0.0000 0.0000 0.0000)
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4 1 2 1 3 taunew( 4)=( 0.0000 0.0000 0.0000)
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5 1 1 0 1 taunew( 5)=( 0.0000 0.0000 0.3750)
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6 1 2 1 1 taunew( 6)=( 0.0000 0.0000 0.3750)
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7 1 2 1 2 taunew( 7)=( 0.0000 0.0000 0.3750)
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8 1 2 1 3 taunew( 8)=( 0.0000 0.0000 0.3750)
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k slab z(k) z(k+1) crossing(iorb=1,norb)
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1 0.0000 0.0250 0.0250 11110000
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2 0.0250 0.0500 0.0250 11110000
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3 0.0500 0.0750 0.0250 11110000
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4 0.0750 0.1000 0.0250 11110000
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5 0.1000 0.1250 0.0250 11110111
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6 0.1250 0.1500 0.0250 11111111
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7 0.1500 0.1750 0.0250 11111111
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8 0.1750 0.2000 0.0250 11111111
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9 0.2000 0.2250 0.0250 11111111
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10 0.2250 0.2500 0.0250 11111111
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11 0.2500 0.2750 0.0250 01111111
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12 0.2750 0.3000 0.0250 00001111
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13 0.3000 0.3250 0.0250 00001111
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14 0.3250 0.3500 0.0250 00001111
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15 0.3500 0.3750 0.0250 00001111
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k( 1) = ( 0.0000000 0.0000000), wk = 1.0000000
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ngper, shell number = 293 41
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ngper, n2d = 293 30
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Nchannels of the left tip = 4
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Right moving states:
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k1(2pi/a) k2(2pi/a) E-Ef (eV)
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0.1149118 0.0000000 2.9500000
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0.3599487 0.0000000 2.9500000
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0.3599487 0.0000000 2.9500000
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-0.3828169 0.0000000 2.9500000
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Left moving states:
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k1(2pi/a) k2(2pi/a) E-Ef (eV)
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-0.1149118 0.0000000 2.9500000
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-0.3599487 0.0000000 2.9500000
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-0.3599487 0.0000000 2.9500000
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0.3828169 0.0000000 2.9500000
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to transmit
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Band j to band i transmissions and reflections:
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j i |T_ij|^2 |R_ij|^2
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1 --> 1 1.00000 0.00000
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1 --> 2 0.00000 0.00000
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1 --> 3 0.00000 0.00000
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1 --> 4 0.00000 0.00000
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Total T_j, R_j = 1.00000 0.00000
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2 --> 1 0.00000 0.00000
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2 --> 2 1.00000 0.00000
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2 --> 3 0.00000 0.00000
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2 --> 4 0.00000 0.00000
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Total T_j, R_j = 1.00000 0.00000
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3 --> 1 0.00000 0.00000
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3 --> 2 0.00000 0.00000
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3 --> 3 1.00000 0.00000
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3 --> 4 0.00000 0.00000
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Total T_j, R_j = 1.00000 0.00000
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4 --> 1 0.00000 0.00000
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4 --> 2 0.00000 0.00000
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4 --> 3 0.00000 0.00000
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4 --> 4 1.00000 0.00000
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Total T_j, R_j = 1.00000 0.00000
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E-Ef(ev), T(x2 spins) = 2.9500000 8.0000000
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Nchannels of the left tip = 4
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Right moving states:
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k1(2pi/a) k2(2pi/a) E-Ef (eV)
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0.0957998 0.0000000 2.8500000
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0.3541541 0.0000000 2.8500000
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0.3541541 0.0000000 2.8500000
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-0.3871738 0.0000000 2.8500000
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Left moving states:
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k1(2pi/a) k2(2pi/a) E-Ef (eV)
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-0.0957998 0.0000000 2.8500000
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-0.3541541 0.0000000 2.8500000
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-0.3541541 0.0000000 2.8500000
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0.3871738 0.0000000 2.8500000
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to transmit
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Band j to band i transmissions and reflections:
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j i |T_ij|^2 |R_ij|^2
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1 --> 1 1.00000 0.00000
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1 --> 2 0.00000 0.00000
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1 --> 3 0.00000 0.00000
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1 --> 4 0.00000 0.00000
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Total T_j, R_j = 1.00000 0.00000
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2 --> 1 0.00000 0.00000
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2 --> 2 1.00000 0.00000
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2 --> 3 0.00000 0.00000
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2 --> 4 0.00000 0.00000
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Total T_j, R_j = 1.00000 0.00000
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3 --> 1 0.00000 0.00000
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3 --> 2 0.00000 0.00000
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3 --> 3 1.00000 0.00000
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3 --> 4 0.00000 0.00000
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Total T_j, R_j = 1.00000 0.00000
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4 --> 1 0.00000 0.00000
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4 --> 2 0.00000 0.00000
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4 --> 3 0.00000 0.00000
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4 --> 4 1.00000 0.00000
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Total T_j, R_j = 1.00000 0.00000
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E-Ef(ev), T(x2 spins) = 2.8500000 8.0000000
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Nchannels of the left tip = 4
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Right moving states:
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k1(2pi/a) k2(2pi/a) E-Ef (eV)
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0.0719345 0.0000000 2.7500000
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0.3482645 0.0000000 2.7500000
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0.3482645 0.0000000 2.7500000
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-0.3915296 0.0000000 2.7500000
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Left moving states:
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k1(2pi/a) k2(2pi/a) E-Ef (eV)
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-0.0719345 0.0000000 2.7500000
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-0.3482645 0.0000000 2.7500000
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-0.3482645 0.0000000 2.7500000
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0.3915296 0.0000000 2.7500000
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to transmit
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Band j to band i transmissions and reflections:
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j i |T_ij|^2 |R_ij|^2
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1 --> 1 1.00000 0.00000
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1 --> 2 0.00000 0.00000
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1 --> 3 0.00000 0.00000
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1 --> 4 0.00000 0.00000
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Total T_j, R_j = 1.00000 0.00000
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2 --> 1 0.00000 0.00000
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2 --> 2 1.00000 0.00000
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2 --> 3 0.00000 0.00000
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2 --> 4 0.00000 0.00000
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Total T_j, R_j = 1.00000 0.00000
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3 --> 1 0.00000 0.00000
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3 --> 2 0.00000 0.00000
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3 --> 3 1.00000 0.00000
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3 --> 4 0.00000 0.00000
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Total T_j, R_j = 1.00000 0.00000
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4 --> 1 0.00000 0.00000
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4 --> 2 0.00000 0.00000
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4 --> 3 0.00000 0.00000
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4 --> 4 1.00000 0.00000
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Total T_j, R_j = 1.00000 0.00000
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E-Ef(ev), T(x2 spins) = 2.7500000 8.0000000
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Nchannels of the left tip = 4
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Right moving states:
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k1(2pi/a) k2(2pi/a) E-Ef (eV)
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0.0345353 0.0000000 2.6500000
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0.3422751 0.0000000 2.6500000
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0.3422751 0.0000000 2.6500000
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-0.3958926 0.0000000 2.6500000
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Left moving states:
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k1(2pi/a) k2(2pi/a) E-Ef (eV)
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-0.0345353 0.0000000 2.6500000
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-0.3422751 0.0000000 2.6500000
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-0.3422751 0.0000000 2.6500000
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0.3958926 0.0000000 2.6500000
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to transmit
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Band j to band i transmissions and reflections:
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j i |T_ij|^2 |R_ij|^2
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1 --> 1 1.00000 0.00000
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1 --> 2 0.00000 0.00000
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1 --> 3 0.00000 0.00000
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1 --> 4 0.00000 0.00000
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Total T_j, R_j = 1.00000 0.00000
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2 --> 1 0.00000 0.00000
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2 --> 2 1.00000 0.00000
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2 --> 3 0.00000 0.00000
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2 --> 4 0.00000 0.00000
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Total T_j, R_j = 1.00000 0.00000
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3 --> 1 0.00000 0.00000
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3 --> 2 0.00000 0.00000
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3 --> 3 1.00000 0.00000
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3 --> 4 0.00000 0.00000
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Total T_j, R_j = 1.00000 0.00000
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4 --> 1 0.00000 0.00000
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4 --> 2 0.00000 0.00000
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4 --> 3 0.00000 0.00000
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4 --> 4 1.00000 0.00000
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Total T_j, R_j = 1.00000 0.00000
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E-Ef(ev), T(x2 spins) = 2.6500000 8.0000000
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Nchannels of the left tip = 3
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Right moving states:
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k1(2pi/a) k2(2pi/a) E-Ef (eV)
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0.3361801 0.0000000 2.5500000
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0.3361801 0.0000000 2.5500000
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-0.4002708 0.0000000 2.5500000
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Left moving states:
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k1(2pi/a) k2(2pi/a) E-Ef (eV)
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-0.3361801 0.0000000 2.5500000
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-0.3361801 0.0000000 2.5500000
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0.4002708 0.0000000 2.5500000
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to transmit
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Band j to band i transmissions and reflections:
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j i |T_ij|^2 |R_ij|^2
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1 --> 1 1.00000 0.00000
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1 --> 2 0.00000 0.00000
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1 --> 3 0.00000 0.00000
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Total T_j, R_j = 1.00000 0.00000
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2 --> 1 0.00000 0.00000
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2 --> 2 1.00000 0.00000
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2 --> 3 0.00000 0.00000
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Total T_j, R_j = 1.00000 0.00000
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3 --> 1 0.00000 0.00000
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3 --> 2 0.00000 0.00000
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3 --> 3 1.00000 0.00000
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Total T_j, R_j = 1.00000 0.00000
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E-Ef(ev), T(x2 spins) = 2.5500000 6.0000000
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Nchannels of the left tip = 3
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Right moving states:
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k1(2pi/a) k2(2pi/a) E-Ef (eV)
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0.3299737 0.0000000 2.4500000
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0.3299737 0.0000000 2.4500000
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-0.4046722 0.0000000 2.4500000
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Left moving states:
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k1(2pi/a) k2(2pi/a) E-Ef (eV)
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-0.3299737 0.0000000 2.4500000
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-0.3299737 0.0000000 2.4500000
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0.4046722 0.0000000 2.4500000
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to transmit
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Band j to band i transmissions and reflections:
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j i |T_ij|^2 |R_ij|^2
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1 --> 1 1.00000 0.00000
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1 --> 2 0.00000 0.00000
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1 --> 3 0.00000 0.00000
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Total T_j, R_j = 1.00000 0.00000
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2 --> 1 0.00000 0.00000
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2 --> 2 1.00000 0.00000
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2 --> 3 0.00000 0.00000
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Total T_j, R_j = 1.00000 0.00000
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3 --> 1 0.00000 0.00000
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3 --> 2 0.00000 0.00000
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3 --> 3 1.00000 0.00000
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Total T_j, R_j = 1.00000 0.00000
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E-Ef(ev), T(x2 spins) = 2.4500000 6.0000000
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Nchannels of the left tip = 3
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Right moving states:
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k1(2pi/a) k2(2pi/a) E-Ef (eV)
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0.3236491 0.0000000 2.3500000
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0.3236491 0.0000000 2.3500000
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-0.4091050 0.0000000 2.3500000
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Left moving states:
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k1(2pi/a) k2(2pi/a) E-Ef (eV)
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-0.3236491 0.0000000 2.3500000
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-0.3236491 0.0000000 2.3500000
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0.4091050 0.0000000 2.3500000
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to transmit
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Band j to band i transmissions and reflections:
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j i |T_ij|^2 |R_ij|^2
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1 --> 1 1.00000 0.00000
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1 --> 2 0.00000 0.00000
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1 --> 3 0.00000 0.00000
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Total T_j, R_j = 1.00000 0.00000
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2 --> 1 0.00000 0.00000
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2 --> 2 1.00000 0.00000
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2 --> 3 0.00000 0.00000
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Total T_j, R_j = 1.00000 0.00000
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3 --> 1 0.00000 0.00000
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3 --> 2 0.00000 0.00000
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3 --> 3 1.00000 0.00000
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Total T_j, R_j = 1.00000 0.00000
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E-Ef(ev), T(x2 spins) = 2.3500000 6.0000000
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Nchannels of the left tip = 3
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Right moving states:
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k1(2pi/a) k2(2pi/a) E-Ef (eV)
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0.3171994 0.0000000 2.2500000
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0.3171994 0.0000000 2.2500000
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-0.4135783 0.0000000 2.2500000
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Left moving states:
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k1(2pi/a) k2(2pi/a) E-Ef (eV)
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-0.3171994 0.0000000 2.2500000
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-0.3171994 0.0000000 2.2500000
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0.4135783 0.0000000 2.2500000
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to transmit
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Band j to band i transmissions and reflections:
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j i |T_ij|^2 |R_ij|^2
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1 --> 1 1.00000 0.00000
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1 --> 2 0.00000 0.00000
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1 --> 3 0.00000 0.00000
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Total T_j, R_j = 1.00000 0.00000
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2 --> 1 0.00000 0.00000
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2 --> 2 1.00000 0.00000
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2 --> 3 0.00000 0.00000
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Total T_j, R_j = 1.00000 0.00000
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3 --> 1 0.00000 0.00000
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3 --> 2 0.00000 0.00000
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|
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)
|
|
|