Program PWCOND v.6.0 (svn rev. 13317) starts on 18Feb2017 at 20:43:28 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 1 processors Reading data from directory: /scratch/scitas/nvarini/espresso_trunk_svn/tempdir/AuwireU.save Info: using nr1, nr2, nr3 values from input Info: using nr1, nr2, nr3 values from input IMPORTANT: XC functional enforced from input : Exchange-correlation = LDA ( 1 1 0 0 0 0) Any further DFT definition will be discarded Please, verify this is what you really want G-vector sticks info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Sum 2701 1789 577 33063 17971 3265 negative rho (up, down): 7.893E-06 0.000E+00 ===== INPUT FILE containing the left lead ===== GEOMETRY: lattice parameter (alat) = 15.0000 a.u. the volume = 1066.5000 (a.u.)^3 the cross section = 225.0000 (a.u.)^2 l of the unit cell = 0.3160 (alat) number of atoms/cell = 1 number of atomic types = 1 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.0000 0.0000 0.0000 ) a(2) = ( 0.0000 1.0000 0.0000 ) a(3) = ( 0.0000 0.0000 0.3160 ) Cartesian axes site n. atom positions (alat units) 1 Au tau( 1)=( 0.0000 0.0000 0.3160 ) nr1s = 48 nr2s = 48 nr3s = 15 nr1sx = 48 nr2sx = 48 nr3sx = 15 nr1 = 60 nr2 = 60 nr3 = 20 nr1x = 60 nr2x = 60 nr3x = 20 _______________________________ Radii of nonlocal spheres: type ibeta ang. mom. radius (alat units) Au 1 1 0.2254 Au 2 2 0.2254 Au 3 2 0.2254 Simplified LDA+U calculation (l_max = 2) with parameters (eV): atomic species L U alpha J0 beta Au 2 3.0000 0.0000 0.0000 0.0000 ----- General information ----- ----- Complex band structure calculation ----- nrx = 48 nry = 48 nz1 = 3 energy0 = 1.0E+00 denergy = -5.0E-02 nenergy = 100 ecut2d = 2.5E+01 ewind = 4.0E+00 epsproj = 1.0E-05 number of k_|| points= 1 cryst. coord. k( 1) = ( 0.0000000 0.0000000), wk = 1.0000000 ----- Information about left lead ----- nocros = 13 noins = 0 norb = 26 norbf = 26 nrz = 15 iorb type ibeta ang. mom. m position (alat) 1 1 1 1 1 taunew( 1)=( 0.0000 0.0000 0.0000) 2 1 1 1 2 taunew( 2)=( 0.0000 0.0000 0.0000) 3 1 1 1 3 taunew( 3)=( 0.0000 0.0000 0.0000) 4 1 2 2 1 taunew( 4)=( 0.0000 0.0000 0.0000) 5 1 2 2 2 taunew( 5)=( 0.0000 0.0000 0.0000) 6 1 2 2 3 taunew( 6)=( 0.0000 0.0000 0.0000) 7 1 2 2 4 taunew( 7)=( 0.0000 0.0000 0.0000) 8 1 2 2 5 taunew( 8)=( 0.0000 0.0000 0.0000) 9 1 3 2 1 taunew( 9)=( 0.0000 0.0000 0.0000) 10 1 3 2 2 taunew( 10)=( 0.0000 0.0000 0.0000) 11 1 3 2 3 taunew( 11)=( 0.0000 0.0000 0.0000) 12 1 3 2 4 taunew( 12)=( 0.0000 0.0000 0.0000) 13 1 3 2 5 taunew( 13)=( 0.0000 0.0000 0.0000) 14 1 1 1 1 taunew( 14)=( 0.0000 0.0000 0.3160) 15 1 1 1 2 taunew( 15)=( 0.0000 0.0000 0.3160) 16 1 1 1 3 taunew( 16)=( 0.0000 0.0000 0.3160) 17 1 2 2 1 taunew( 17)=( 0.0000 0.0000 0.3160) 18 1 2 2 2 taunew( 18)=( 0.0000 0.0000 0.3160) 19 1 2 2 3 taunew( 19)=( 0.0000 0.0000 0.3160) 20 1 2 2 4 taunew( 20)=( 0.0000 0.0000 0.3160) 21 1 2 2 5 taunew( 21)=( 0.0000 0.0000 0.3160) 22 1 3 2 1 taunew( 22)=( 0.0000 0.0000 0.3160) 23 1 3 2 2 taunew( 23)=( 0.0000 0.0000 0.3160) 24 1 3 2 3 taunew( 24)=( 0.0000 0.0000 0.3160) 25 1 3 2 4 taunew( 25)=( 0.0000 0.0000 0.3160) 26 1 3 2 5 taunew( 26)=( 0.0000 0.0000 0.3160) k slab z(k) z(k+1) crossing(iorb=1,norb) 1 0.0000 0.0211 0.0211 11111111111110000000000000 2 0.0211 0.0421 0.0211 11111111111110000000000000 3 0.0421 0.0632 0.0211 11111111111110000000000000 4 0.0632 0.0843 0.0211 11111111111110000000000000 5 0.0843 0.1053 0.0211 11111111111111111111111111 6 0.1053 0.1264 0.0211 11111111111111111111111111 7 0.1264 0.1475 0.0211 11111111111111111111111111 8 0.1475 0.1685 0.0211 11111111111111111111111111 9 0.1685 0.1896 0.0211 11111111111111111111111111 10 0.1896 0.2107 0.0211 11111111111111111111111111 11 0.2107 0.2317 0.0211 11111111111111111111111111 12 0.2317 0.2528 0.0211 00000000000001111111111111 13 0.2528 0.2739 0.0211 00000000000001111111111111 14 0.2739 0.2949 0.0211 00000000000001111111111111 15 0.2949 0.3160 0.0211 00000000000001111111111111 ngper, shell number = 437 58 ngper, n2d = 437 122 --- E-Ef = 1.0000000 k = 0.0000000 0.0000000 --- ie = 1 ik = 1 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.3173108 0.0000000 1.0000000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.3173108 0.0000000 1.0000000 --- E-Ef = 0.9500000 k = 0.0000000 0.0000000 --- ie = 2 ik = 1 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.3145647 0.0000000 0.9500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.3145647 0.0000000 0.9500000 --- E-Ef = 0.9000000 k = 0.0000000 0.0000000 --- ie = 3 ik = 1 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.3117484 0.0000000 0.9000000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.3117484 0.0000000 0.9000000 --- E-Ef = 0.8500000 k = 0.0000000 0.0000000 --- ie = 4 ik = 1 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.3088568 0.0000000 0.8500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.3088568 0.0000000 0.8500000 --- E-Ef = 0.8000000 k = 0.0000000 0.0000000 --- ie = 5 ik = 1 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.3058844 0.0000000 0.8000000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.3058844 0.0000000 0.8000000 --- E-Ef = 0.7500000 k = 0.0000000 0.0000000 --- ie = 6 ik = 1 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.3028254 0.0000000 0.7500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.3028254 0.0000000 0.7500000 --- E-Ef = 0.7000000 k = 0.0000000 0.0000000 --- ie = 7 ik = 1 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.2996735 0.0000000 0.7000000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.2996735 0.0000000 0.7000000 --- E-Ef = 0.6500000 k = 0.0000000 0.0000000 --- ie = 8 ik = 1 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.2964219 0.0000000 0.6500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.2964219 0.0000000 0.6500000 --- E-Ef = 0.6000000 k = 0.0000000 0.0000000 --- ie = 9 ik = 1 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.2930634 0.0000000 0.6000000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.2930634 0.0000000 0.6000000 --- E-Ef = 0.5500000 k = 0.0000000 0.0000000 --- ie = 10 ik = 1 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.2895903 0.0000000 0.5500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.2895903 0.0000000 0.5500000 --- E-Ef = 0.5000000 k = 0.0000000 0.0000000 --- ie = 11 ik = 1 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.2859944 0.0000000 0.5000000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.2859944 0.0000000 0.5000000 --- E-Ef = 0.4500000 k = 0.0000000 0.0000000 --- ie = 12 ik = 1 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.2822670 0.0000000 0.4500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.2822670 0.0000000 0.4500000 --- E-Ef = 0.4000000 k = 0.0000000 0.0000000 --- ie = 13 ik = 1 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.2783989 0.0000000 0.4000000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.2783989 -0.0000000 0.4000000 --- E-Ef = 0.3500000 k = 0.0000000 0.0000000 --- ie = 14 ik = 1 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.2743804 0.0000000 0.3500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.2743804 -0.0000000 0.3500000 --- E-Ef = 0.3000000 k = 0.0000000 0.0000000 --- ie = 15 ik = 1 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.2702013 0.0000000 0.3000000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.2702013 -0.0000000 0.3000000 --- E-Ef = 0.2500000 k = 0.0000000 0.0000000 --- ie = 16 ik = 1 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.2658509 0.0000000 0.2500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.2658509 -0.0000000 0.2500000 --- E-Ef = 0.2000000 k = 0.0000000 0.0000000 --- ie = 17 ik = 1 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.2613181 0.0000000 0.2000000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.2613181 -0.0000000 0.2000000 --- E-Ef = 0.1500000 k = 0.0000000 0.0000000 --- ie = 18 ik = 1 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.2565912 0.0000000 0.1500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.2565912 -0.0000000 0.1500000 --- E-Ef = 0.1000000 k = 0.0000000 0.0000000 --- ie = 19 ik = 1 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.2516580 0.0000000 0.1000000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.2516580 -0.0000000 0.1000000 --- E-Ef = 0.0500000 k = 0.0000000 0.0000000 --- ie = 20 ik = 1 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.2465059 -0.0000000 0.0500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.2465059 -0.0000000 0.0500000 --- E-Ef = 0.0000000 k = 0.0000000 0.0000000 --- ie = 21 ik = 1 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.2411213 0.0000000 0.0000000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.2411213 -0.0000000 0.0000000 --- E-Ef = -0.0500000 k = 0.0000000 0.0000000 --- ie = 22 ik = 1 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.2354901 -0.0000000 -0.0500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.2354901 -0.0000000 -0.0500000 --- E-Ef = -0.1000000 k = 0.0000000 0.0000000 --- ie = 23 ik = 1 Nchannels of the left tip = 2 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.2295970 -0.0000000 -0.1000000 0.4606368 -0.0000000 -0.1000000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.2295970 -0.0000000 -0.1000000 -0.4606368 -0.0000000 -0.1000000 --- E-Ef = -0.1500000 k = 0.0000000 0.0000000 --- ie = 24 ik = 1 Nchannels of the left tip = 4 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.0308291 0.0000000 -0.1500000 -0.0308291 0.0000000 -0.1500000 0.2234255 -0.0000000 -0.1500000 0.4433721 -0.0000000 -0.1500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.0308291 0.0000000 -0.1500000 0.0308291 0.0000000 -0.1500000 -0.2234255 -0.0000000 -0.1500000 -0.4433721 -0.0000000 -0.1500000 --- E-Ef = -0.2000000 k = 0.0000000 0.0000000 --- ie = 25 ik = 1 Nchannels of the left tip = 4 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.0440926 0.0000000 -0.2000000 -0.0440926 0.0000000 -0.2000000 0.2169572 -0.0000000 -0.2000000 0.4304292 -0.0000000 -0.2000000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.0440926 0.0000000 -0.2000000 0.0440926 0.0000000 -0.2000000 -0.2169572 -0.0000000 -0.2000000 -0.4304292 -0.0000000 -0.2000000 --- E-Ef = -0.2500000 k = 0.0000000 0.0000000 --- ie = 26 ik = 1 Nchannels of the left tip = 4 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.0544348 0.0000000 -0.2500000 -0.0544348 0.0000000 -0.2500000 0.2101712 -0.0000000 -0.2500000 0.4197004 -0.0000000 -0.2500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.0544348 0.0000000 -0.2500000 0.0544348 0.0000000 -0.2500000 -0.2101712 -0.0000000 -0.2500000 -0.4197004 -0.0000000 -0.2500000 --- E-Ef = -0.3000000 k = 0.0000000 0.0000000 --- ie = 27 ik = 1 Nchannels of the left tip = 4 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.0633077 0.0000000 -0.3000000 -0.0633077 0.0000000 -0.3000000 0.2030435 -0.0000000 -0.3000000 0.4103938 -0.0000000 -0.3000000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.0633077 0.0000000 -0.3000000 0.0633077 0.0000000 -0.3000000 -0.2030435 -0.0000000 -0.3000000 -0.4103938 -0.0000000 -0.3000000 --- E-Ef = -0.3500000 k = 0.0000000 0.0000000 --- ie = 28 ik = 1 Nchannels of the left tip = 4 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.0712654 0.0000000 -0.3500000 -0.0712654 0.0000000 -0.3500000 0.1955458 -0.0000000 -0.3500000 0.4021074 -0.0000000 -0.3500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.0712654 0.0000000 -0.3500000 0.0712654 0.0000000 -0.3500000 -0.1955458 -0.0000000 -0.3500000 -0.4021074 -0.0000000 -0.3500000 --- E-Ef = -0.4000000 k = 0.0000000 0.0000000 --- ie = 29 ik = 1 Nchannels of the left tip = 4 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.0785896 0.0000000 -0.4000000 -0.0785896 0.0000000 -0.4000000 0.1876435 -0.0000000 -0.4000000 0.3946029 -0.0000000 -0.4000000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.0785896 0.0000000 -0.4000000 0.0785896 0.0000000 -0.4000000 -0.1876435 -0.0000000 -0.4000000 -0.3946029 -0.0000000 -0.4000000 --- E-Ef = -0.4500000 k = 0.0000000 0.0000000 --- ie = 30 ik = 1 Nchannels of the left tip = 4 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.0854463 0.0000000 -0.4500000 -0.0854463 0.0000000 -0.4500000 0.1792942 -0.0000000 -0.4500000 0.3877242 -0.0000000 -0.4500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.0854463 0.0000000 -0.4500000 0.0854463 0.0000000 -0.4500000 -0.1792942 -0.0000000 -0.4500000 -0.3877242 -0.0000000 -0.4500000 --- E-Ef = -0.5000000 k = 0.0000000 0.0000000 --- ie = 31 ik = 1 Nchannels of the left tip = 4 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.0919431 0.0000000 -0.5000000 -0.0919431 0.0000000 -0.5000000 0.1704438 -0.0000000 -0.5000000 0.3813618 -0.0000000 -0.5000000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.0919431 0.0000000 -0.5000000 0.0919431 0.0000000 -0.5000000 -0.1704438 -0.0000000 -0.5000000 -0.3813618 -0.0000000 -0.5000000 --- E-Ef = -0.5500000 k = 0.0000000 0.0000000 --- ie = 32 ik = 1 Nchannels of the left tip = 4 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.0981544 0.0000000 -0.5500000 -0.0981544 0.0000000 -0.5500000 0.1610222 -0.0000000 -0.5500000 0.3754349 -0.0000000 -0.5500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.0981544 0.0000000 -0.5500000 0.0981544 0.0000000 -0.5500000 -0.1610222 -0.0000000 -0.5500000 -0.3754349 -0.0000000 -0.5500000 --- E-Ef = -0.6000000 k = 0.0000000 0.0000000 --- ie = 33 ik = 1 Nchannels of the left tip = 4 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.1041341 0.0000000 -0.6000000 -0.1041341 0.0000000 -0.6000000 0.1509356 -0.0000000 -0.6000000 0.3698814 -0.0000000 -0.6000000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.1041341 0.0000000 -0.6000000 0.1041341 0.0000000 -0.6000000 -0.1509356 -0.0000000 -0.6000000 -0.3698814 -0.0000000 -0.6000000 --- E-Ef = -0.6500000 k = 0.0000000 0.0000000 --- ie = 34 ik = 1 Nchannels of the left tip = 4 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.1099230 0.0000000 -0.6500000 -0.1099230 0.0000000 -0.6500000 0.1400541 -0.0000000 -0.6500000 0.3646520 -0.0000000 -0.6500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.1099230 0.0000000 -0.6500000 0.1099230 0.0000000 -0.6500000 -0.1400541 -0.0000000 -0.6500000 -0.3646520 -0.0000000 -0.6500000 --- E-Ef = -0.7000000 k = 0.0000000 0.0000000 --- ie = 35 ik = 1 Nchannels of the left tip = 4 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.1155526 0.0000000 -0.7000000 -0.1155526 0.0000000 -0.7000000 0.1281899 -0.0000000 -0.7000000 0.3597066 -0.0000000 -0.7000000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.1155526 0.0000000 -0.7000000 0.1155526 0.0000000 -0.7000000 -0.1281899 -0.0000000 -0.7000000 -0.3597066 -0.0000000 -0.7000000 --- E-Ef = -0.7500000 k = 0.0000000 0.0000000 --- ie = 36 ik = 1 Nchannels of the left tip = 4 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.1150543 -0.0000000 -0.7500000 -0.1210479 0.0000000 -0.7500000 -0.1210479 0.0000000 -0.7500000 0.3550118 -0.0000000 -0.7500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.1150543 -0.0000000 -0.7500000 0.1210479 0.0000000 -0.7500000 0.1210479 0.0000000 -0.7500000 -0.3550118 -0.0000000 -0.7500000 --- E-Ef = -0.8000000 k = 0.0000000 0.0000000 --- ie = 37 ik = 1 Nchannels of the left tip = 4 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.1001648 -0.0000000 -0.8000000 -0.1264296 0.0000000 -0.8000000 -0.1264296 0.0000000 -0.8000000 0.3505396 -0.0000000 -0.8000000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.1001648 -0.0000000 -0.8000000 0.1264296 0.0000000 -0.8000000 0.1264296 0.0000000 -0.8000000 -0.3505396 -0.0000000 -0.8000000 --- E-Ef = -0.8500000 k = 0.0000000 0.0000000 --- ie = 38 ik = 1 Nchannels of the left tip = 4 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.0825963 -0.0000000 -0.8500000 -0.1317143 0.0000000 -0.8500000 -0.1317143 0.0000000 -0.8500000 0.3462660 -0.0000000 -0.8500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.0825963 -0.0000000 -0.8500000 0.1317143 0.0000000 -0.8500000 0.1317143 0.0000000 -0.8500000 -0.3462660 -0.0000000 -0.8500000 --- E-Ef = -0.9000000 k = 0.0000000 0.0000000 --- ie = 39 ik = 1 Nchannels of the left tip = 4 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.0600646 -0.0000000 -0.9000000 -0.1369164 0.0000000 -0.9000000 -0.1369164 0.0000000 -0.9000000 0.3421702 -0.0000000 -0.9000000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.0600646 -0.0000000 -0.9000000 0.1369164 0.0000000 -0.9000000 0.1369164 0.0000000 -0.9000000 -0.3421702 -0.0000000 -0.9000000 --- E-Ef = -0.9500000 k = 0.0000000 0.0000000 --- ie = 40 ik = 1 Nchannels of the left tip = 4 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.0198078 -0.0000000 -0.9500000 -0.1420480 0.0000000 -0.9500000 -0.1420480 0.0000000 -0.9500000 0.3382340 -0.0000000 -0.9500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.0198078 -0.0000000 -0.9500000 0.1420480 0.0000000 -0.9500000 0.1420480 0.0000000 -0.9500000 -0.3382340 -0.0000000 -0.9500000 --- E-Ef = -1.0000000 k = 0.0000000 0.0000000 --- ie = 41 ik = 1 Nchannels of the left tip = 3 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.1471196 0.0000000 -1.0000000 -0.1471196 0.0000000 -1.0000000 0.3344416 -0.0000000 -1.0000000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.1471196 0.0000000 -1.0000000 0.1471196 0.0000000 -1.0000000 -0.3344416 -0.0000000 -1.0000000 --- E-Ef = -1.0500000 k = 0.0000000 0.0000000 --- ie = 42 ik = 1 Nchannels of the left tip = 3 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.1521404 0.0000000 -1.0500000 -0.1521404 0.0000000 -1.0500000 0.3307788 -0.0000000 -1.0500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.1521404 0.0000000 -1.0500000 0.1521404 0.0000000 -1.0500000 -0.3307788 -0.0000000 -1.0500000 --- E-Ef = -1.1000000 k = 0.0000000 0.0000000 --- ie = 43 ik = 1 Nchannels of the left tip = 3 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.1571185 0.0000000 -1.1000000 -0.1571185 0.0000000 -1.1000000 0.3272333 -0.0000000 -1.1000000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.1571185 0.0000000 -1.1000000 0.1571185 0.0000000 -1.1000000 -0.3272333 -0.0000000 -1.1000000 --- E-Ef = -1.1500000 k = 0.0000000 0.0000000 --- ie = 44 ik = 1 Nchannels of the left tip = 5 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.1620613 0.0000000 -1.1500000 -0.1620613 0.0000000 -1.1500000 0.3237938 -0.0000000 -1.1500000 0.4892787 -0.0000000 -1.1500000 0.4918067 -0.0000000 -1.1500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.1620613 0.0000000 -1.1500000 0.1620613 0.0000000 -1.1500000 -0.3237938 -0.0000000 -1.1500000 -0.4892787 -0.0000000 -1.1500000 -0.4918067 -0.0000000 -1.1500000 --- E-Ef = -1.2000000 k = 0.0000000 0.0000000 --- ie = 45 ik = 1 Nchannels of the left tip = 5 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.1669753 0.0000000 -1.2000000 -0.1669753 0.0000000 -1.2000000 0.3204503 -0.0000000 -1.2000000 0.4122645 -0.0000000 -1.2000000 0.4125851 -0.0000000 -1.2000000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.1669753 0.0000000 -1.2000000 0.1669753 0.0000000 -1.2000000 -0.3204503 -0.0000000 -1.2000000 -0.4122645 -0.0000000 -1.2000000 -0.4125851 -0.0000000 -1.2000000 --- E-Ef = -1.2500000 k = 0.0000000 0.0000000 --- ie = 46 ik = 1 Nchannels of the left tip = 5 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.1718666 0.0000000 -1.2500000 -0.1718666 0.0000000 -1.2500000 0.3171940 -0.0000000 -1.2500000 0.3744549 -0.0000000 -1.2500000 0.3747188 -0.0000000 -1.2500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.1718666 0.0000000 -1.2500000 0.1718666 0.0000000 -1.2500000 -0.3171940 -0.0000000 -1.2500000 -0.3744549 -0.0000000 -1.2500000 -0.3747188 -0.0000000 -1.2500000 --- E-Ef = -1.3000000 k = 0.0000000 0.0000000 --- ie = 47 ik = 1 Nchannels of the left tip = 5 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.1767407 0.0000000 -1.3000000 -0.1767407 0.0000000 -1.3000000 0.3140168 -0.0000000 -1.3000000 0.3438643 -0.0000000 -1.3000000 0.3441154 -0.0000000 -1.3000000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.1767407 0.0000000 -1.3000000 0.1767407 0.0000000 -1.3000000 -0.3140168 -0.0000000 -1.3000000 -0.3438643 -0.0000000 -1.3000000 -0.3441154 -0.0000000 -1.3000000 --- E-Ef = -1.3500000 k = 0.0000000 0.0000000 --- ie = 48 ik = 1 Nchannels of the left tip = 5 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.1816029 0.0000000 -1.3500000 -0.1816029 0.0000000 -1.3500000 0.3109113 -0.0000000 -1.3500000 0.3165936 -0.0000000 -1.3500000 0.3168476 -0.0000000 -1.3500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.1816029 0.0000000 -1.3500000 0.1816029 0.0000000 -1.3500000 -0.3109113 -0.0000000 -1.3500000 -0.3165936 -0.0000000 -1.3500000 -0.3168476 -0.0000000 -1.3500000 --- E-Ef = -1.4000000 k = 0.0000000 0.0000000 --- ie = 49 ik = 1 Nchannels of the left tip = 5 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.1864581 0.0000000 -1.4000000 -0.1864581 0.0000000 -1.4000000 0.2910578 -0.0000000 -1.4000000 0.2913241 -0.0000000 -1.4000000 0.3078710 -0.0000000 -1.4000000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.1864581 0.0000000 -1.4000000 0.1864581 0.0000000 -1.4000000 -0.2910578 -0.0000000 -1.4000000 -0.2913241 -0.0000000 -1.4000000 -0.3078710 -0.0000000 -1.4000000 --- E-Ef = -1.4500000 k = 0.0000000 0.0000000 --- ie = 50 ik = 1 Nchannels of the left tip = 5 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.1913109 0.0000000 -1.4500000 -0.1913109 0.0000000 -1.4500000 0.2663537 -0.0000000 -1.4500000 0.2666403 -0.0000000 -1.4500000 0.3048899 -0.0000000 -1.4500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.1913109 0.0000000 -1.4500000 0.1913109 0.0000000 -1.4500000 -0.2663537 -0.0000000 -1.4500000 -0.2666403 -0.0000000 -1.4500000 -0.3048899 -0.0000000 -1.4500000 --- E-Ef = -1.5000000 k = 0.0000000 0.0000000 --- ie = 51 ik = 1 Nchannels of the left tip = 5 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.1961658 0.0000000 -1.5000000 -0.1961658 0.0000000 -1.5000000 0.2418254 -0.0000000 -1.5000000 0.2421406 -0.0000000 -1.5000000 0.3019626 -0.0000000 -1.5000000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.1961658 0.0000000 -1.5000000 0.1961658 0.0000000 -1.5000000 -0.2418254 -0.0000000 -1.5000000 -0.2421406 -0.0000000 -1.5000000 -0.3019626 -0.0000000 -1.5000000 --- E-Ef = -1.5500000 k = 0.0000000 0.0000000 --- ie = 52 ik = 1 Nchannels of the left tip = 5 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.2010272 0.0000000 -1.5500000 -0.2010272 0.0000000 -1.5500000 0.2168763 -0.0000000 -1.5500000 0.2172304 -0.0000000 -1.5500000 0.2990841 -0.0000000 -1.5500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.2010272 0.0000000 -1.5500000 0.2010272 0.0000000 -1.5500000 -0.2168763 -0.0000000 -1.5500000 -0.2172304 -0.0000000 -1.5500000 -0.2990841 -0.0000000 -1.5500000 --- E-Ef = -1.6000000 k = 0.0000000 0.0000000 --- ie = 53 ik = 1 Nchannels of the left tip = 5 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.1908272 -0.0000000 -1.6000000 0.1912355 -0.0000000 -1.6000000 -0.2058992 0.0000000 -1.6000000 -0.2058992 0.0000000 -1.6000000 0.2962499 -0.0000000 -1.6000000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.1908272 -0.0000000 -1.6000000 -0.1912355 -0.0000000 -1.6000000 0.2058992 0.0000000 -1.6000000 0.2058992 0.0000000 -1.6000000 -0.2962499 -0.0000000 -1.6000000 --- E-Ef = -1.6500000 k = 0.0000000 0.0000000 --- ie = 54 ik = 1 Nchannels of the left tip = 5 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.1627162 -0.0000000 -1.6500000 0.1632042 -0.0000000 -1.6500000 -0.2107862 0.0000000 -1.6500000 -0.2107862 0.0000000 -1.6500000 0.2934558 -0.0000000 -1.6500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.1627162 -0.0000000 -1.6500000 -0.1632042 -0.0000000 -1.6500000 0.2107862 0.0000000 -1.6500000 0.2107862 0.0000000 -1.6500000 -0.2934558 -0.0000000 -1.6500000 --- E-Ef = -1.7000000 k = 0.0000000 0.0000000 --- ie = 55 ik = 1 Nchannels of the left tip = 5 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.1308181 -0.0000000 -1.7000000 0.1314387 -0.0000000 -1.7000000 -0.2156921 0.0000000 -1.7000000 -0.2156921 0.0000000 -1.7000000 0.2906980 -0.0000000 -1.7000000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.1308181 -0.0000000 -1.7000000 -0.1314387 -0.0000000 -1.7000000 0.2156921 0.0000000 -1.7000000 0.2156921 0.0000000 -1.7000000 -0.2906980 -0.0000000 -1.7000000 --- E-Ef = -1.7500000 k = 0.0000000 0.0000000 --- ie = 56 ik = 1 Nchannels of the left tip = 5 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.0907927 -0.0000000 -1.7500000 0.0917074 -0.0000000 -1.7500000 -0.2206213 0.0000000 -1.7500000 -0.2206213 0.0000000 -1.7500000 0.2879730 -0.0000000 -1.7500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.0907927 -0.0000000 -1.7500000 -0.0917074 -0.0000000 -1.7500000 0.2206213 0.0000000 -1.7500000 0.2206213 0.0000000 -1.7500000 -0.2879730 -0.0000000 -1.7500000 --- E-Ef = -1.8000000 k = 0.0000000 0.0000000 --- ie = 57 ik = 1 Nchannels of the left tip = 3 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.2255779 0.0000000 -1.8000000 -0.2255779 0.0000000 -1.8000000 0.2852777 -0.0000000 -1.8000000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.2255779 0.0000000 -1.8000000 0.2255779 0.0000000 -1.8000000 -0.2852777 -0.0000000 -1.8000000 --- E-Ef = -1.8500000 k = 0.0000000 0.0000000 --- ie = 58 ik = 1 Nchannels of the left tip = 3 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.2305664 0.0000000 -1.8500000 -0.2305664 0.0000000 -1.8500000 0.2826090 -0.0000000 -1.8500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.2305664 0.0000000 -1.8500000 0.2305664 0.0000000 -1.8500000 -0.2826090 -0.0000000 -1.8500000 --- E-Ef = -1.9000000 k = 0.0000000 0.0000000 --- ie = 59 ik = 1 Nchannels of the left tip = 3 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.2355910 0.0000000 -1.9000000 -0.2355910 0.0000000 -1.9000000 0.2799641 -0.0000000 -1.9000000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.2355910 0.0000000 -1.9000000 0.2355910 0.0000000 -1.9000000 -0.2799641 -0.0000000 -1.9000000 --- E-Ef = -1.9500000 k = 0.0000000 0.0000000 --- ie = 60 ik = 1 Nchannels of the left tip = 3 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.2406565 0.0000000 -1.9500000 -0.2406565 0.0000000 -1.9500000 0.2773405 -0.0000000 -1.9500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.2406565 0.0000000 -1.9500000 0.2406565 0.0000000 -1.9500000 -0.2773405 -0.0000000 -1.9500000 --- E-Ef = -2.0000000 k = 0.0000000 0.0000000 --- ie = 61 ik = 1 Nchannels of the left tip = 3 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.2457676 0.0000000 -2.0000000 -0.2457676 0.0000000 -2.0000000 0.2747359 -0.0000000 -2.0000000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.2457676 0.0000000 -2.0000000 0.2457676 0.0000000 -2.0000000 -0.2747359 -0.0000000 -2.0000000 --- E-Ef = -2.0500000 k = 0.0000000 0.0000000 --- ie = 62 ik = 1 Nchannels of the left tip = 3 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.2509294 0.0000000 -2.0500000 -0.2509294 0.0000000 -2.0500000 0.2721479 -0.0000000 -2.0500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.2509294 0.0000000 -2.0500000 0.2509294 0.0000000 -2.0500000 -0.2721479 -0.0000000 -2.0500000 --- E-Ef = -2.1000000 k = 0.0000000 0.0000000 --- ie = 63 ik = 1 Nchannels of the left tip = 3 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.2561474 0.0000000 -2.1000000 -0.2561474 0.0000000 -2.1000000 0.2695745 -0.0000000 -2.1000000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.2561474 0.0000000 -2.1000000 0.2561474 0.0000000 -2.1000000 -0.2695745 -0.0000000 -2.1000000 --- E-Ef = -2.1500000 k = 0.0000000 0.0000000 --- ie = 64 ik = 1 Nchannels of the left tip = 3 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.2614272 0.0000000 -2.1500000 -0.2614272 0.0000000 -2.1500000 0.2670138 -0.0000000 -2.1500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.2614272 0.0000000 -2.1500000 0.2614272 0.0000000 -2.1500000 -0.2670138 -0.0000000 -2.1500000 --- E-Ef = -2.2000000 k = 0.0000000 0.0000000 --- ie = 65 ik = 1 Nchannels of the left tip = 3 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.2644638 -0.0000000 -2.2000000 -0.2667751 0.0000000 -2.2000000 -0.2667751 0.0000000 -2.2000000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.2644638 -0.0000000 -2.2000000 0.2667751 0.0000000 -2.2000000 0.2667751 0.0000000 -2.2000000 --- E-Ef = -2.2500000 k = 0.0000000 0.0000000 --- ie = 66 ik = 1 Nchannels of the left tip = 3 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.2619229 -0.0000000 -2.2500000 -0.2721976 0.0000000 -2.2500000 -0.2721976 0.0000000 -2.2500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.2619229 -0.0000000 -2.2500000 0.2721976 0.0000000 -2.2500000 0.2721976 0.0000000 -2.2500000 --- E-Ef = -2.3000000 k = 0.0000000 0.0000000 --- ie = 67 ik = 1 Nchannels of the left tip = 3 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.2593894 -0.0000000 -2.3000000 -0.2777022 0.0000000 -2.3000000 -0.2777022 0.0000000 -2.3000000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.2593894 -0.0000000 -2.3000000 0.2777022 0.0000000 -2.3000000 0.2777022 0.0000000 -2.3000000 --- E-Ef = -2.3500000 k = 0.0000000 0.0000000 --- ie = 68 ik = 1 Nchannels of the left tip = 3 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.2568617 -0.0000000 -2.3500000 -0.2832969 0.0000000 -2.3500000 -0.2832969 0.0000000 -2.3500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.2568617 -0.0000000 -2.3500000 0.2832969 0.0000000 -2.3500000 0.2832969 0.0000000 -2.3500000 --- E-Ef = -2.4000000 k = 0.0000000 0.0000000 --- ie = 69 ik = 1 Nchannels of the left tip = 3 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.2543384 -0.0000000 -2.4000000 -0.2889904 0.0000000 -2.4000000 -0.2889904 0.0000000 -2.4000000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.2543384 -0.0000000 -2.4000000 0.2889904 0.0000000 -2.4000000 0.2889904 0.0000000 -2.4000000 --- E-Ef = -2.4500000 k = 0.0000000 0.0000000 --- ie = 70 ik = 1 Nchannels of the left tip = 3 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.2518180 -0.0000000 -2.4500000 -0.2947927 0.0000000 -2.4500000 -0.2947927 0.0000000 -2.4500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.2518180 -0.0000000 -2.4500000 0.2947927 0.0000000 -2.4500000 0.2947927 0.0000000 -2.4500000 --- E-Ef = -2.5000000 k = 0.0000000 0.0000000 --- ie = 71 ik = 1 Nchannels of the left tip = 3 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.2492991 -0.0000000 -2.5000000 -0.3007150 0.0000000 -2.5000000 -0.3007150 0.0000000 -2.5000000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.2492991 -0.0000000 -2.5000000 0.3007150 0.0000000 -2.5000000 0.3007150 0.0000000 -2.5000000 --- E-Ef = -2.5500000 k = 0.0000000 0.0000000 --- ie = 72 ik = 1 Nchannels of the left tip = 3 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.2467804 -0.0000000 -2.5500000 -0.3067698 0.0000000 -2.5500000 -0.3067698 0.0000000 -2.5500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.2467804 -0.0000000 -2.5500000 0.3067698 0.0000000 -2.5500000 0.3067698 0.0000000 -2.5500000 --- E-Ef = -2.6000000 k = 0.0000000 0.0000000 --- ie = 73 ik = 1 Nchannels of the left tip = 3 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.2442607 -0.0000000 -2.6000000 -0.3129716 0.0000000 -2.6000000 -0.3129716 0.0000000 -2.6000000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.2442607 -0.0000000 -2.6000000 0.3129716 0.0000000 -2.6000000 0.3129716 0.0000000 -2.6000000 --- E-Ef = -2.6500000 k = 0.0000000 0.0000000 --- ie = 74 ik = 1 Nchannels of the left tip = 3 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.2417386 -0.0000000 -2.6500000 -0.3193370 0.0000000 -2.6500000 -0.3193370 0.0000000 -2.6500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.2417386 -0.0000000 -2.6500000 0.3193370 0.0000000 -2.6500000 0.3193370 0.0000000 -2.6500000 --- E-Ef = -2.7000000 k = 0.0000000 0.0000000 --- ie = 75 ik = 1 Nchannels of the left tip = 3 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.2392130 -0.0000000 -2.7000000 -0.3258854 0.0000000 -2.7000000 -0.3258854 0.0000000 -2.7000000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.2392130 -0.0000000 -2.7000000 0.3258854 0.0000000 -2.7000000 0.3258854 0.0000000 -2.7000000 --- E-Ef = -2.7500000 k = 0.0000000 0.0000000 --- ie = 76 ik = 1 Nchannels of the left tip = 3 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.2366828 -0.0000000 -2.7500000 -0.3326398 0.0000000 -2.7500000 -0.3326398 0.0000000 -2.7500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.2366828 -0.0000000 -2.7500000 0.3326398 0.0000000 -2.7500000 0.3326398 0.0000000 -2.7500000 --- E-Ef = -2.8000000 k = 0.0000000 0.0000000 --- ie = 77 ik = 1 Nchannels of the left tip = 3 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.2341466 -0.0000000 -2.8000000 -0.3396278 0.0000000 -2.8000000 -0.3396278 0.0000000 -2.8000000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.2341466 -0.0000000 -2.8000000 0.3396278 0.0000000 -2.8000000 0.3396278 0.0000000 -2.8000000 --- E-Ef = -2.8500000 k = 0.0000000 0.0000000 --- ie = 78 ik = 1 Nchannels of the left tip = 3 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.2316034 -0.0000000 -2.8500000 -0.3468827 0.0000000 -2.8500000 -0.3468827 0.0000000 -2.8500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.2316034 -0.0000000 -2.8500000 0.3468827 0.0000000 -2.8500000 0.3468827 0.0000000 -2.8500000 --- E-Ef = -2.9000000 k = 0.0000000 0.0000000 --- ie = 79 ik = 1 Nchannels of the left tip = 3 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.2290520 -0.0000000 -2.9000000 -0.3544458 0.0000000 -2.9000000 -0.3544458 0.0000000 -2.9000000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.2290520 -0.0000000 -2.9000000 0.3544458 0.0000000 -2.9000000 0.3544458 0.0000000 -2.9000000 --- E-Ef = -2.9500000 k = 0.0000000 0.0000000 --- ie = 80 ik = 1 Nchannels of the left tip = 3 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.2264914 -0.0000000 -2.9500000 -0.3623697 0.0000000 -2.9500000 -0.3623697 0.0000000 -2.9500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.2264914 -0.0000000 -2.9500000 0.3623697 0.0000000 -2.9500000 0.3623697 0.0000000 -2.9500000 --- E-Ef = -3.0000000 k = 0.0000000 0.0000000 --- ie = 81 ik = 1 Nchannels of the left tip = 3 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.2239203 -0.0000000 -3.0000000 -0.3707219 0.0000000 -3.0000000 -0.3707219 0.0000000 -3.0000000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.2239203 -0.0000000 -3.0000000 0.3707219 0.0000000 -3.0000000 0.3707219 0.0000000 -3.0000000 --- E-Ef = -3.0500000 k = 0.0000000 0.0000000 --- ie = 82 ik = 1 Nchannels of the left tip = 3 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.2213376 -0.0000000 -3.0500000 -0.3795932 0.0000000 -3.0500000 -0.3795932 0.0000000 -3.0500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.2213376 -0.0000000 -3.0500000 0.3795932 0.0000000 -3.0500000 0.3795932 0.0000000 -3.0500000 --- E-Ef = -3.1000000 k = 0.0000000 0.0000000 --- ie = 83 ik = 1 Nchannels of the left tip = 3 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.2187422 -0.0000000 -3.1000000 -0.3891097 0.0000000 -3.1000000 -0.3891097 0.0000000 -3.1000000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.2187422 -0.0000000 -3.1000000 0.3891097 0.0000000 -3.1000000 0.3891097 0.0000000 -3.1000000 --- E-Ef = -3.1500000 k = 0.0000000 0.0000000 --- ie = 84 ik = 1 Nchannels of the left tip = 3 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.2161330 -0.0000000 -3.1500000 -0.3994562 0.0000000 -3.1500000 -0.3994562 0.0000000 -3.1500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.2161330 -0.0000000 -3.1500000 0.3994562 0.0000000 -3.1500000 0.3994562 0.0000000 -3.1500000 --- E-Ef = -3.2000000 k = 0.0000000 0.0000000 --- ie = 85 ik = 1 Nchannels of the left tip = 3 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.2135087 -0.0000000 -3.2000000 -0.4109233 0.0000000 -3.2000000 -0.4109233 0.0000000 -3.2000000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.2135087 -0.0000000 -3.2000000 0.4109233 0.0000000 -3.2000000 0.4109233 0.0000000 -3.2000000 --- E-Ef = -3.2500000 k = 0.0000000 0.0000000 --- ie = 86 ik = 1 Nchannels of the left tip = 3 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.2108681 -0.0000000 -3.2500000 -0.4240185 0.0000000 -3.2500000 -0.4240185 0.0000000 -3.2500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.2108681 -0.0000000 -3.2500000 0.4240185 0.0000000 -3.2500000 0.4240185 0.0000000 -3.2500000 --- E-Ef = -3.3000000 k = 0.0000000 0.0000000 --- ie = 87 ik = 1 Nchannels of the left tip = 3 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.2082101 -0.0000000 -3.3000000 -0.4397977 0.0000000 -3.3000000 -0.4397977 0.0000000 -3.3000000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.2082101 -0.0000000 -3.3000000 0.4397977 0.0000000 -3.3000000 0.4397977 0.0000000 -3.3000000 --- E-Ef = -3.3500000 k = 0.0000000 0.0000000 --- ie = 88 ik = 1 Nchannels of the left tip = 3 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.2055333 -0.0000000 -3.3500000 -0.4614287 0.0000000 -3.3500000 -0.4614287 0.0000000 -3.3500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.2055333 -0.0000000 -3.3500000 0.4614287 0.0000000 -3.3500000 0.4614287 0.0000000 -3.3500000 --- E-Ef = -3.4000000 k = 0.0000000 0.0000000 --- ie = 89 ik = 1 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.2028366 -0.0000000 -3.4000000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.2028366 -0.0000000 -3.4000000 --- E-Ef = -3.4500000 k = 0.0000000 0.0000000 --- ie = 90 ik = 1 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.2001185 -0.0000000 -3.4500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.2001185 -0.0000000 -3.4500000 --- E-Ef = -3.5000000 k = 0.0000000 0.0000000 --- ie = 91 ik = 1 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.1973776 -0.0000000 -3.5000000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.1973776 -0.0000000 -3.5000000 --- E-Ef = -3.5500000 k = 0.0000000 0.0000000 --- ie = 92 ik = 1 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.1946125 -0.0000000 -3.5500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.1946125 -0.0000000 -3.5500000 --- E-Ef = -3.6000000 k = 0.0000000 0.0000000 --- ie = 93 ik = 1 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.1918217 -0.0000000 -3.6000000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.1918217 -0.0000000 -3.6000000 --- E-Ef = -3.6500000 k = 0.0000000 0.0000000 --- ie = 94 ik = 1 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.1890036 -0.0000000 -3.6500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.1890036 -0.0000000 -3.6500000 --- E-Ef = -3.7000000 k = 0.0000000 0.0000000 --- ie = 95 ik = 1 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.1861565 -0.0000000 -3.7000000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.1861565 -0.0000000 -3.7000000 --- E-Ef = -3.7500000 k = 0.0000000 0.0000000 --- ie = 96 ik = 1 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.1832786 -0.0000000 -3.7500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.1832786 -0.0000000 -3.7500000 --- E-Ef = -3.8000000 k = 0.0000000 0.0000000 --- ie = 97 ik = 1 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.1803682 -0.0000000 -3.8000000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.1803682 -0.0000000 -3.8000000 --- E-Ef = -3.8500000 k = 0.0000000 0.0000000 --- ie = 98 ik = 1 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.1774230 -0.0000000 -3.8500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.1774230 -0.0000000 -3.8500000 --- E-Ef = -3.9000000 k = 0.0000000 0.0000000 --- ie = 99 ik = 1 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.1744412 -0.0000000 -3.9000000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.1744412 -0.0000000 -3.9000000 --- E-Ef = -3.9500000 k = 0.0000000 0.0000000 --- ie = 100 ik = 1 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.1714202 -0.0000000 -3.9500000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.1714202 -0.0000000 -3.9500000 PWCOND : 1m 9.06s CPU 1m11.39s WALL init : 0.93s CPU 0.96s WALL ( 1 calls) poten : 0.00s CPU 0.00s WALL ( 1 calls) local : 1.02s CPU 1.03s WALL ( 1 calls) scatter_forw : 50.15s CPU 50.19s WALL ( 100 calls) compbs : 16.89s CPU 16.89s WALL ( 100 calls) compbs_2 : 15.56s CPU 15.56s WALL ( 100 calls)