Program PWSCF v.5.3.0 (svn rev. 11974) starts on 31Jan2017 at 9:31: 0 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 72 processors R & G space division: proc/nbgrp/npool/nimage = 72 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Tl2PdCl4.save/ file Tl.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D 5D renormalized file Pd.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 5S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 110 47 13 4424 1251 189 Max 111 48 14 4427 1270 194 Sum 7965 3433 973 318625 90783 13785 bravais-lattice index = 14 lattice parameter (alat) = 13.5361 a.u. unit-cell volume = 1482.6310 (a.u.)^3 number of atoms/cell = 7 number of atomic types = 3 number of electrons = 72.00 number of Kohn-Sham states= 86 kinetic-energy cutoff = 59.0000 Ry charge density cutoff = 545.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 13.536107 celldm(2)= 1.000000 celldm(3)= 0.597794 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 0.597794 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 1.672816 ) PseudoPot. # 1 for Tl read from file: /users/gautes/Pseudo/Tl.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: cd969aa200d2b9b89aab382fbbb9d684 Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1281 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Pd read from file: /users/gautes/Pseudo/Pd.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 7926b04c0aa9b348bf6cb39d90ce6236 Pseudo is Ultrasoft + core correction, Zval = 18.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1235 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Cl read from file: /users/gautes/Pseudo/Cl.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 689bc0dc0caaad1d61892f37b0005eca Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1157 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Tl 13.00 204.38330 Tl( 1.00) Pd 18.00 106.42000 Pd( 1.00) Cl 7.00 35.45300 Cl( 1.00) 16 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 180 deg rotation - cart. axis [1,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cart. axis [1,-1,0] cryst. s( 6) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( -0.0000000 -1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inversion cryst. s( 9) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 9) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(10) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(10) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(11) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(11) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(12) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s(12) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 13 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(13) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(13) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(14) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(14) = ( 0.0000000 1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 15 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(15) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(15) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 16 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(16) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(16) = ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group D_4h(4/mmm) there are 14 classes and 4 irreducible representations the character table: E -E 2C4 -2C4 C2 2C2' 2C2'' i -i 2S4 -2S4 s_h -C2 -2C2' -2C2' -s_h G_6+ 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 2.00 -2.00 1.41 -1.41 0.00 G_7+ 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 2.00 -2.00 -1.41 1.41 0.00 G_6- 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 -2.00 2.00 -1.41 1.41 0.00 G_7- 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 -2.00 2.00 1.41 -1.41 0.00 2s_v 2s_d -2s_v -2s_d G_6+ 0.00 0.00 G_7+ 0.00 0.00 G_6- 0.00 0.00 G_7- 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C4 7 8 90 deg rotation - cart. axis [0,0,-1] -2C4 -7 -8 90 deg rotation - cart. axis [0,0,-1] E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] 2C2'-2C2' 3 -3 4 -4 180 deg rotation - cart. axis [0,1,0] 2C2''-2C2' 5 -5 6 -6 180 deg rotation - cart. axis [1,1,0] i 9 inversion -i -9 inversion E 2S4 15 16 inv. 90 deg rotation - cart. axis [0,0,-1] -2S4 -15 -16 inv. 90 deg rotation - cart. axis [0,0,-1] E s_h -s_h 10 -10 inv. 180 deg rotation - cart. axis [0,0,1] 2s_v-2s_v 11 -11 12 -12 inv. 180 deg rotation - cart. axis [0,1,0] 2s_d-2s_d 13 -13 14 -14 inv. 180 deg rotation - cart. axis [1,1,0] Cartesian axes number of k points= 272 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 2) = ( 0.0000000 0.0227273 -0.0000000), wk = 0.0036765 k( 3) = ( 0.0000000 0.0454546 -0.0000000), wk = 0.0036765 k( 4) = ( 0.0000000 0.0681818 -0.0000000), wk = 0.0036765 k( 5) = ( 0.0000000 0.0909091 -0.0000000), wk = 0.0036765 k( 6) = ( 0.0000000 0.1136364 -0.0000000), wk = 0.0036765 k( 7) = ( 0.0000000 0.1363636 -0.0000000), wk = 0.0036765 k( 8) = ( 0.0000000 0.1590909 -0.0000000), wk = 0.0036765 k( 9) = ( 0.0000000 0.1818182 -0.0000000), wk = 0.0036765 k( 10) = ( 0.0000000 0.2045454 -0.0000000), wk = 0.0036765 k( 11) = ( 0.0000000 0.2272727 -0.0000000), wk = 0.0036765 k( 12) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0036765 k( 13) = ( 0.0000000 0.2727273 -0.0000000), wk = 0.0036765 k( 14) = ( 0.0000000 0.2954545 -0.0000000), wk = 0.0036765 k( 15) = ( 0.0000000 0.3181818 -0.0000000), wk = 0.0036765 k( 16) = ( 0.0000000 0.3409091 -0.0000000), wk = 0.0036765 k( 17) = ( 0.0000000 0.3636364 -0.0000000), wk = 0.0036765 k( 18) = ( 0.0000000 0.3863636 -0.0000000), wk = 0.0036765 k( 19) = ( 0.0000000 0.4090909 -0.0000000), wk = 0.0036765 k( 20) = ( 0.0000000 0.4318182 -0.0000000), wk = 0.0036765 k( 21) = ( 0.0000000 0.4545455 -0.0000000), wk = 0.0036765 k( 22) = ( 0.0000000 0.4772727 -0.0000000), wk = 0.0036765 k( 23) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0036765 k( 24) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0036765 k( 25) = ( 0.0227273 0.5000000 -0.0000000), wk = 0.0036765 k( 26) = ( 0.0454546 0.5000000 -0.0000000), wk = 0.0036765 k( 27) = ( 0.0681818 0.5000000 -0.0000000), wk = 0.0036765 k( 28) = ( 0.0909091 0.5000000 -0.0000000), wk = 0.0036765 k( 29) = ( 0.1136364 0.5000000 -0.0000000), wk = 0.0036765 k( 30) = ( 0.1363636 0.5000000 -0.0000000), wk = 0.0036765 k( 31) = ( 0.1590909 0.5000000 -0.0000000), wk = 0.0036765 k( 32) = ( 0.1818182 0.5000000 -0.0000000), wk = 0.0036765 k( 33) = ( 0.2045454 0.5000000 -0.0000000), wk = 0.0036765 k( 34) = ( 0.2272727 0.5000000 -0.0000000), wk = 0.0036765 k( 35) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0036765 k( 36) = ( 0.2727273 0.5000000 -0.0000000), wk = 0.0036765 k( 37) = ( 0.2954545 0.5000000 -0.0000000), wk = 0.0036765 k( 38) = ( 0.3181818 0.5000000 -0.0000000), wk = 0.0036765 k( 39) = ( 0.3409091 0.5000000 -0.0000000), wk = 0.0036765 k( 40) = ( 0.3636364 0.5000000 -0.0000000), wk = 0.0036765 k( 41) = ( 0.3863636 0.5000000 -0.0000000), wk = 0.0036765 k( 42) = ( 0.4090909 0.5000000 -0.0000000), wk = 0.0036765 k( 43) = ( 0.4318182 0.5000000 -0.0000000), wk = 0.0036765 k( 44) = ( 0.4545455 0.5000000 -0.0000000), wk = 0.0036765 k( 45) = ( 0.4772727 0.5000000 -0.0000000), wk = 0.0036765 k( 46) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0036765 k( 47) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0036765 k( 48) = ( 0.4843750 0.4843750 -0.0000000), wk = 0.0036765 k( 49) = ( 0.4687500 0.4687500 -0.0000000), wk = 0.0036765 k( 50) = ( 0.4531250 0.4531250 -0.0000000), wk = 0.0036765 k( 51) = ( 0.4375000 0.4375000 -0.0000000), wk = 0.0036765 k( 52) = ( 0.4218750 0.4218750 -0.0000000), wk = 0.0036765 k( 53) = ( 0.4062500 0.4062500 -0.0000000), wk = 0.0036765 k( 54) = ( 0.3906250 0.3906250 -0.0000000), wk = 0.0036765 k( 55) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0036765 k( 56) = ( 0.3593750 0.3593750 -0.0000000), wk = 0.0036765 k( 57) = ( 0.3437500 0.3437500 -0.0000000), wk = 0.0036765 k( 58) = ( 0.3281250 0.3281250 -0.0000000), wk = 0.0036765 k( 59) = ( 0.3125000 0.3125000 -0.0000000), wk = 0.0036765 k( 60) = ( 0.2968750 0.2968750 -0.0000000), wk = 0.0036765 k( 61) = ( 0.2812500 0.2812500 -0.0000000), wk = 0.0036765 k( 62) = ( 0.2656250 0.2656250 -0.0000000), wk = 0.0036765 k( 63) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0036765 k( 64) = ( 0.2343750 0.2343750 -0.0000000), wk = 0.0036765 k( 65) = ( 0.2187500 0.2187500 -0.0000000), wk = 0.0036765 k( 66) = ( 0.2031250 0.2031250 -0.0000000), wk = 0.0036765 k( 67) = ( 0.1875000 0.1875000 -0.0000000), wk = 0.0036765 k( 68) = ( 0.1718750 0.1718750 -0.0000000), wk = 0.0036765 k( 69) = ( 0.1562500 0.1562500 -0.0000000), wk = 0.0036765 k( 70) = ( 0.1406250 0.1406250 -0.0000000), wk = 0.0036765 k( 71) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0036765 k( 72) = ( 0.1093750 0.1093750 -0.0000000), wk = 0.0036765 k( 73) = ( 0.0937500 0.0937500 -0.0000000), wk = 0.0036765 k( 74) = ( 0.0781250 0.0781250 -0.0000000), wk = 0.0036765 k( 75) = ( 0.0625000 0.0625000 -0.0000000), wk = 0.0036765 k( 76) = ( 0.0468750 0.0468750 -0.0000000), wk = 0.0036765 k( 77) = ( 0.0312500 0.0312500 -0.0000000), wk = 0.0036765 k( 78) = ( 0.0156250 0.0156250 -0.0000000), wk = 0.0036765 k( 79) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 80) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 81) = ( 0.0000000 0.0000000 0.0226056), wk = 0.0036765 k( 82) = ( 0.0000000 0.0000000 0.0452113), wk = 0.0036765 k( 83) = ( 0.0000000 0.0000000 0.0678169), wk = 0.0036765 k( 84) = ( 0.0000000 0.0000000 0.0904225), wk = 0.0036765 k( 85) = ( 0.0000000 0.0000000 0.1130281), wk = 0.0036765 k( 86) = ( 0.0000000 0.0000000 0.1356338), wk = 0.0036765 k( 87) = ( 0.0000000 0.0000000 0.1582394), wk = 0.0036765 k( 88) = ( 0.0000000 0.0000000 0.1808450), wk = 0.0036765 k( 89) = ( 0.0000000 0.0000000 0.2034506), wk = 0.0036765 k( 90) = ( 0.0000000 0.0000000 0.2260563), wk = 0.0036765 k( 91) = ( 0.0000000 0.0000000 0.2486619), wk = 0.0036765 k( 92) = ( 0.0000000 0.0000000 0.2712675), wk = 0.0036765 k( 93) = ( 0.0000000 0.0000000 0.2938732), wk = 0.0036765 k( 94) = ( 0.0000000 0.0000000 0.3164788), wk = 0.0036765 k( 95) = ( 0.0000000 0.0000000 0.3390844), wk = 0.0036765 k( 96) = ( 0.0000000 0.0000000 0.3616900), wk = 0.0036765 k( 97) = ( 0.0000000 0.0000000 0.3842957), wk = 0.0036765 k( 98) = ( 0.0000000 0.0000000 0.4069013), wk = 0.0036765 k( 99) = ( 0.0000000 0.0000000 0.4295069), wk = 0.0036765 k( 100) = ( 0.0000000 0.0000000 0.4521126), wk = 0.0036765 k( 101) = ( 0.0000000 0.0000000 0.4747182), wk = 0.0036765 k( 102) = ( 0.0000000 0.0000000 0.4973238), wk = 0.0036765 k( 103) = ( 0.0000000 0.0000000 0.5199294), wk = 0.0036765 k( 104) = ( 0.0000000 0.0000000 0.5425351), wk = 0.0036765 k( 105) = ( 0.0000000 0.0000000 0.5651407), wk = 0.0036765 k( 106) = ( 0.0000000 0.0000000 0.5877463), wk = 0.0036765 k( 107) = ( 0.0000000 0.0000000 0.6103519), wk = 0.0036765 k( 108) = ( 0.0000000 0.0000000 0.6329576), wk = 0.0036765 k( 109) = ( 0.0000000 0.0000000 0.6555632), wk = 0.0036765 k( 110) = ( 0.0000000 0.0000000 0.6781688), wk = 0.0036765 k( 111) = ( 0.0000000 0.0000000 0.7007745), wk = 0.0036765 k( 112) = ( 0.0000000 0.0000000 0.7233801), wk = 0.0036765 k( 113) = ( 0.0000000 0.0000000 0.7459857), wk = 0.0036765 k( 114) = ( 0.0000000 0.0000000 0.7685913), wk = 0.0036765 k( 115) = ( 0.0000000 0.0000000 0.7911970), wk = 0.0036765 k( 116) = ( 0.0000000 0.0000000 0.8138026), wk = 0.0036765 k( 117) = ( 0.0000000 0.0000000 0.8364082), wk = 0.0036765 k( 118) = ( 0.0000000 0.0000000 0.8364082), wk = 0.0036765 k( 119) = ( 0.0000000 0.0227273 0.8364082), wk = 0.0036765 k( 120) = ( 0.0000000 0.0454546 0.8364082), wk = 0.0036765 k( 121) = ( 0.0000000 0.0681818 0.8364082), wk = 0.0036765 k( 122) = ( 0.0000000 0.0909091 0.8364082), wk = 0.0036765 k( 123) = ( 0.0000000 0.1136364 0.8364082), wk = 0.0036765 k( 124) = ( 0.0000000 0.1363636 0.8364082), wk = 0.0036765 k( 125) = ( 0.0000000 0.1590909 0.8364082), wk = 0.0036765 k( 126) = ( 0.0000000 0.1818182 0.8364082), wk = 0.0036765 k( 127) = ( 0.0000000 0.2045454 0.8364082), wk = 0.0036765 k( 128) = ( 0.0000000 0.2272727 0.8364082), wk = 0.0036765 k( 129) = ( 0.0000000 0.2500000 0.8364082), wk = 0.0036765 k( 130) = ( 0.0000000 0.2727273 0.8364082), wk = 0.0036765 k( 131) = ( 0.0000000 0.2954545 0.8364082), wk = 0.0036765 k( 132) = ( 0.0000000 0.3181818 0.8364082), wk = 0.0036765 k( 133) = ( 0.0000000 0.3409091 0.8364082), wk = 0.0036765 k( 134) = ( 0.0000000 0.3636364 0.8364082), wk = 0.0036765 k( 135) = ( 0.0000000 0.3863636 0.8364082), wk = 0.0036765 k( 136) = ( 0.0000000 0.4090909 0.8364082), wk = 0.0036765 k( 137) = ( 0.0000000 0.4318182 0.8364082), wk = 0.0036765 k( 138) = ( 0.0000000 0.4545455 0.8364082), wk = 0.0036765 k( 139) = ( 0.0000000 0.4772727 0.8364082), wk = 0.0036765 k( 140) = ( 0.0000000 0.5000000 0.8364082), wk = 0.0036765 k( 141) = ( 0.0000000 0.5000000 0.8364082), wk = 0.0036765 k( 142) = ( 0.0227273 0.5000000 0.8364082), wk = 0.0036765 k( 143) = ( 0.0454546 0.5000000 0.8364082), wk = 0.0036765 k( 144) = ( 0.0681818 0.5000000 0.8364082), wk = 0.0036765 k( 145) = ( 0.0909091 0.5000000 0.8364082), wk = 0.0036765 k( 146) = ( 0.1136364 0.5000000 0.8364082), wk = 0.0036765 k( 147) = ( 0.1363636 0.5000000 0.8364082), wk = 0.0036765 k( 148) = ( 0.1590909 0.5000000 0.8364082), wk = 0.0036765 k( 149) = ( 0.1818182 0.5000000 0.8364082), wk = 0.0036765 k( 150) = ( 0.2045454 0.5000000 0.8364082), wk = 0.0036765 k( 151) = ( 0.2272727 0.5000000 0.8364082), wk = 0.0036765 k( 152) = ( 0.2500000 0.5000000 0.8364082), wk = 0.0036765 k( 153) = ( 0.2727273 0.5000000 0.8364082), wk = 0.0036765 k( 154) = ( 0.2954545 0.5000000 0.8364082), wk = 0.0036765 k( 155) = ( 0.3181818 0.5000000 0.8364082), wk = 0.0036765 k( 156) = ( 0.3409091 0.5000000 0.8364082), wk = 0.0036765 k( 157) = ( 0.3636364 0.5000000 0.8364082), wk = 0.0036765 k( 158) = ( 0.3863636 0.5000000 0.8364082), wk = 0.0036765 k( 159) = ( 0.4090909 0.5000000 0.8364082), wk = 0.0036765 k( 160) = ( 0.4318182 0.5000000 0.8364082), wk = 0.0036765 k( 161) = ( 0.4545455 0.5000000 0.8364082), wk = 0.0036765 k( 162) = ( 0.4772727 0.5000000 0.8364082), wk = 0.0036765 k( 163) = ( 0.5000000 0.5000000 0.8364082), wk = 0.0036765 k( 164) = ( 0.5000000 0.5000000 0.8364082), wk = 0.0036765 k( 165) = ( 0.4843750 0.4843750 0.8364082), wk = 0.0036765 k( 166) = ( 0.4687500 0.4687500 0.8364082), wk = 0.0036765 k( 167) = ( 0.4531250 0.4531250 0.8364082), wk = 0.0036765 k( 168) = ( 0.4375000 0.4375000 0.8364082), wk = 0.0036765 k( 169) = ( 0.4218750 0.4218750 0.8364082), wk = 0.0036765 k( 170) = ( 0.4062500 0.4062500 0.8364082), wk = 0.0036765 k( 171) = ( 0.3906250 0.3906250 0.8364082), wk = 0.0036765 k( 172) = ( 0.3750000 0.3750000 0.8364082), wk = 0.0036765 k( 173) = ( 0.3593750 0.3593750 0.8364082), wk = 0.0036765 k( 174) = ( 0.3437500 0.3437500 0.8364082), wk = 0.0036765 k( 175) = ( 0.3281250 0.3281250 0.8364082), wk = 0.0036765 k( 176) = ( 0.3125000 0.3125000 0.8364082), wk = 0.0036765 k( 177) = ( 0.2968750 0.2968750 0.8364082), wk = 0.0036765 k( 178) = ( 0.2812500 0.2812500 0.8364082), wk = 0.0036765 k( 179) = ( 0.2656250 0.2656250 0.8364082), wk = 0.0036765 k( 180) = ( 0.2500000 0.2500000 0.8364082), wk = 0.0036765 k( 181) = ( 0.2343750 0.2343750 0.8364082), wk = 0.0036765 k( 182) = ( 0.2187500 0.2187500 0.8364082), wk = 0.0036765 k( 183) = ( 0.2031250 0.2031250 0.8364082), wk = 0.0036765 k( 184) = ( 0.1875000 0.1875000 0.8364082), wk = 0.0036765 k( 185) = ( 0.1718750 0.1718750 0.8364082), wk = 0.0036765 k( 186) = ( 0.1562500 0.1562500 0.8364082), wk = 0.0036765 k( 187) = ( 0.1406250 0.1406250 0.8364082), wk = 0.0036765 k( 188) = ( 0.1250000 0.1250000 0.8364082), wk = 0.0036765 k( 189) = ( 0.1093750 0.1093750 0.8364082), wk = 0.0036765 k( 190) = ( 0.0937500 0.0937500 0.8364082), wk = 0.0036765 k( 191) = ( 0.0781250 0.0781250 0.8364082), wk = 0.0036765 k( 192) = ( 0.0625000 0.0625000 0.8364082), wk = 0.0036765 k( 193) = ( 0.0468750 0.0468750 0.8364082), wk = 0.0036765 k( 194) = ( 0.0312500 0.0312500 0.8364082), wk = 0.0036765 k( 195) = ( 0.0156250 0.0156250 0.8364082), wk = 0.0036765 k( 196) = ( 0.0000000 0.0000000 0.8364082), wk = 0.0036765 k( 197) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0036765 k( 198) = ( 0.0000000 0.5000000 0.0226056), wk = 0.0036765 k( 199) = ( 0.0000000 0.5000000 0.0452113), wk = 0.0036765 k( 200) = ( 0.0000000 0.5000000 0.0678169), wk = 0.0036765 k( 201) = ( 0.0000000 0.5000000 0.0904225), wk = 0.0036765 k( 202) = ( 0.0000000 0.5000000 0.1130281), wk = 0.0036765 k( 203) = ( 0.0000000 0.5000000 0.1356338), wk = 0.0036765 k( 204) = ( 0.0000000 0.5000000 0.1582394), wk = 0.0036765 k( 205) = ( 0.0000000 0.5000000 0.1808450), wk = 0.0036765 k( 206) = ( 0.0000000 0.5000000 0.2034506), wk = 0.0036765 k( 207) = ( 0.0000000 0.5000000 0.2260563), wk = 0.0036765 k( 208) = ( 0.0000000 0.5000000 0.2486619), wk = 0.0036765 k( 209) = ( 0.0000000 0.5000000 0.2712675), wk = 0.0036765 k( 210) = ( 0.0000000 0.5000000 0.2938732), wk = 0.0036765 k( 211) = ( 0.0000000 0.5000000 0.3164788), wk = 0.0036765 k( 212) = ( 0.0000000 0.5000000 0.3390844), wk = 0.0036765 k( 213) = ( 0.0000000 0.5000000 0.3616900), wk = 0.0036765 k( 214) = ( 0.0000000 0.5000000 0.3842957), wk = 0.0036765 k( 215) = ( 0.0000000 0.5000000 0.4069013), wk = 0.0036765 k( 216) = ( 0.0000000 0.5000000 0.4295069), wk = 0.0036765 k( 217) = ( 0.0000000 0.5000000 0.4521126), wk = 0.0036765 k( 218) = ( 0.0000000 0.5000000 0.4747182), wk = 0.0036765 k( 219) = ( 0.0000000 0.5000000 0.4973238), wk = 0.0036765 k( 220) = ( 0.0000000 0.5000000 0.5199294), wk = 0.0036765 k( 221) = ( 0.0000000 0.5000000 0.5425351), wk = 0.0036765 k( 222) = ( 0.0000000 0.5000000 0.5651407), wk = 0.0036765 k( 223) = ( 0.0000000 0.5000000 0.5877463), wk = 0.0036765 k( 224) = ( 0.0000000 0.5000000 0.6103519), wk = 0.0036765 k( 225) = ( 0.0000000 0.5000000 0.6329576), wk = 0.0036765 k( 226) = ( 0.0000000 0.5000000 0.6555632), wk = 0.0036765 k( 227) = ( 0.0000000 0.5000000 0.6781688), wk = 0.0036765 k( 228) = ( 0.0000000 0.5000000 0.7007745), wk = 0.0036765 k( 229) = ( 0.0000000 0.5000000 0.7233801), wk = 0.0036765 k( 230) = ( 0.0000000 0.5000000 0.7459857), wk = 0.0036765 k( 231) = ( 0.0000000 0.5000000 0.7685913), wk = 0.0036765 k( 232) = ( 0.0000000 0.5000000 0.7911970), wk = 0.0036765 k( 233) = ( 0.0000000 0.5000000 0.8138026), wk = 0.0036765 k( 234) = ( 0.0000000 0.5000000 0.8364082), wk = 0.0036765 k( 235) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0036765 k( 236) = ( 0.5000000 0.5000000 0.0226056), wk = 0.0036765 k( 237) = ( 0.5000000 0.5000000 0.0452113), wk = 0.0036765 k( 238) = ( 0.5000000 0.5000000 0.0678169), wk = 0.0036765 k( 239) = ( 0.5000000 0.5000000 0.0904225), wk = 0.0036765 k( 240) = ( 0.5000000 0.5000000 0.1130281), wk = 0.0036765 k( 241) = ( 0.5000000 0.5000000 0.1356338), wk = 0.0036765 k( 242) = ( 0.5000000 0.5000000 0.1582394), wk = 0.0036765 k( 243) = ( 0.5000000 0.5000000 0.1808450), wk = 0.0036765 k( 244) = ( 0.5000000 0.5000000 0.2034506), wk = 0.0036765 k( 245) = ( 0.5000000 0.5000000 0.2260563), wk = 0.0036765 k( 246) = ( 0.5000000 0.5000000 0.2486619), wk = 0.0036765 k( 247) = ( 0.5000000 0.5000000 0.2712675), wk = 0.0036765 k( 248) = ( 0.5000000 0.5000000 0.2938732), wk = 0.0036765 k( 249) = ( 0.5000000 0.5000000 0.3164788), wk = 0.0036765 k( 250) = ( 0.5000000 0.5000000 0.3390844), wk = 0.0036765 k( 251) = ( 0.5000000 0.5000000 0.3616900), wk = 0.0036765 k( 252) = ( 0.5000000 0.5000000 0.3842957), wk = 0.0036765 k( 253) = ( 0.5000000 0.5000000 0.4069013), wk = 0.0036765 k( 254) = ( 0.5000000 0.5000000 0.4295069), wk = 0.0036765 k( 255) = ( 0.5000000 0.5000000 0.4521126), wk = 0.0036765 k( 256) = ( 0.5000000 0.5000000 0.4747182), wk = 0.0036765 k( 257) = ( 0.5000000 0.5000000 0.4973238), wk = 0.0036765 k( 258) = ( 0.5000000 0.5000000 0.5199294), wk = 0.0036765 k( 259) = ( 0.5000000 0.5000000 0.5425351), wk = 0.0036765 k( 260) = ( 0.5000000 0.5000000 0.5651407), wk = 0.0036765 k( 261) = ( 0.5000000 0.5000000 0.5877463), wk = 0.0036765 k( 262) = ( 0.5000000 0.5000000 0.6103519), wk = 0.0036765 k( 263) = ( 0.5000000 0.5000000 0.6329576), wk = 0.0036765 k( 264) = ( 0.5000000 0.5000000 0.6555632), wk = 0.0036765 k( 265) = ( 0.5000000 0.5000000 0.6781688), wk = 0.0036765 k( 266) = ( 0.5000000 0.5000000 0.7007745), wk = 0.0036765 k( 267) = ( 0.5000000 0.5000000 0.7233801), wk = 0.0036765 k( 268) = ( 0.5000000 0.5000000 0.7459857), wk = 0.0036765 k( 269) = ( 0.5000000 0.5000000 0.7685913), wk = 0.0036765 k( 270) = ( 0.5000000 0.5000000 0.7911970), wk = 0.0036765 k( 271) = ( 0.5000000 0.5000000 0.8138026), wk = 0.0036765 k( 272) = ( 0.5000000 0.5000000 0.8364082), wk = 0.0036765 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 2) = ( 0.0000000 0.0227273 -0.0000000), wk = 0.0036765 k( 3) = ( 0.0000000 0.0454546 0.0000000), wk = 0.0036765 k( 4) = ( 0.0000000 0.0681818 -0.0000000), wk = 0.0036765 k( 5) = ( 0.0000000 0.0909091 0.0000000), wk = 0.0036765 k( 6) = ( 0.0000000 0.1136364 -0.0000000), wk = 0.0036765 k( 7) = ( 0.0000000 0.1363636 -0.0000000), wk = 0.0036765 k( 8) = ( 0.0000000 0.1590909 0.0000000), wk = 0.0036765 k( 9) = ( 0.0000000 0.1818182 0.0000000), wk = 0.0036765 k( 10) = ( 0.0000000 0.2045454 -0.0000000), wk = 0.0036765 k( 11) = ( 0.0000000 0.2272727 0.0000000), wk = 0.0036765 k( 12) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0036765 k( 13) = ( 0.0000000 0.2727273 0.0000000), wk = 0.0036765 k( 14) = ( 0.0000000 0.2954545 0.0000000), wk = 0.0036765 k( 15) = ( 0.0000000 0.3181818 0.0000000), wk = 0.0036765 k( 16) = ( 0.0000000 0.3409091 -0.0000000), wk = 0.0036765 k( 17) = ( 0.0000000 0.3636364 0.0000000), wk = 0.0036765 k( 18) = ( 0.0000000 0.3863636 -0.0000000), wk = 0.0036765 k( 19) = ( 0.0000000 0.4090909 -0.0000000), wk = 0.0036765 k( 20) = ( 0.0000000 0.4318182 0.0000000), wk = 0.0036765 k( 21) = ( 0.0000000 0.4545455 0.0000000), wk = 0.0036765 k( 22) = ( 0.0000000 0.4772727 0.0000000), wk = 0.0036765 k( 23) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0036765 k( 24) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0036765 k( 25) = ( 0.0227273 0.5000000 -0.0000000), wk = 0.0036765 k( 26) = ( 0.0454546 0.5000000 -0.0000000), wk = 0.0036765 k( 27) = ( 0.0681818 0.5000000 0.0000000), wk = 0.0036765 k( 28) = ( 0.0909091 0.5000000 0.0000000), wk = 0.0036765 k( 29) = ( 0.1136364 0.5000000 0.0000000), wk = 0.0036765 k( 30) = ( 0.1363636 0.5000000 0.0000000), wk = 0.0036765 k( 31) = ( 0.1590909 0.5000000 0.0000000), wk = 0.0036765 k( 32) = ( 0.1818182 0.5000000 -0.0000000), wk = 0.0036765 k( 33) = ( 0.2045454 0.5000000 -0.0000000), wk = 0.0036765 k( 34) = ( 0.2272727 0.5000000 -0.0000000), wk = 0.0036765 k( 35) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0036765 k( 36) = ( 0.2727273 0.5000000 -0.0000000), wk = 0.0036765 k( 37) = ( 0.2954545 0.5000000 -0.0000000), wk = 0.0036765 k( 38) = ( 0.3181818 0.5000000 -0.0000000), wk = 0.0036765 k( 39) = ( 0.3409091 0.5000000 -0.0000000), wk = 0.0036765 k( 40) = ( 0.3636364 0.5000000 -0.0000000), wk = 0.0036765 k( 41) = ( 0.3863636 0.5000000 -0.0000000), wk = 0.0036765 k( 42) = ( 0.4090909 0.5000000 -0.0000000), wk = 0.0036765 k( 43) = ( 0.4318182 0.5000000 -0.0000000), wk = 0.0036765 k( 44) = ( 0.4545455 0.5000000 -0.0000000), wk = 0.0036765 k( 45) = ( 0.4772727 0.5000000 -0.0000000), wk = 0.0036765 k( 46) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0036765 k( 47) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0036765 k( 48) = ( 0.4843750 0.4843750 -0.0000000), wk = 0.0036765 k( 49) = ( 0.4687500 0.4687500 0.0000000), wk = 0.0036765 k( 50) = ( 0.4531250 0.4531250 -0.0000000), wk = 0.0036765 k( 51) = ( 0.4375000 0.4375000 -0.0000000), wk = 0.0036765 k( 52) = ( 0.4218750 0.4218750 -0.0000000), wk = 0.0036765 k( 53) = ( 0.4062500 0.4062500 -0.0000000), wk = 0.0036765 k( 54) = ( 0.3906250 0.3906250 -0.0000000), wk = 0.0036765 k( 55) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0036765 k( 56) = ( 0.3593750 0.3593750 -0.0000000), wk = 0.0036765 k( 57) = ( 0.3437500 0.3437500 -0.0000000), wk = 0.0036765 k( 58) = ( 0.3281250 0.3281250 -0.0000000), wk = 0.0036765 k( 59) = ( 0.3125000 0.3125000 -0.0000000), wk = 0.0036765 k( 60) = ( 0.2968750 0.2968750 -0.0000000), wk = 0.0036765 k( 61) = ( 0.2812500 0.2812500 -0.0000000), wk = 0.0036765 k( 62) = ( 0.2656250 0.2656250 -0.0000000), wk = 0.0036765 k( 63) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0036765 k( 64) = ( 0.2343750 0.2343750 0.0000000), wk = 0.0036765 k( 65) = ( 0.2187500 0.2187500 -0.0000000), wk = 0.0036765 k( 66) = ( 0.2031250 0.2031250 -0.0000000), wk = 0.0036765 k( 67) = ( 0.1875000 0.1875000 -0.0000000), wk = 0.0036765 k( 68) = ( 0.1718750 0.1718750 -0.0000000), wk = 0.0036765 k( 69) = ( 0.1562500 0.1562500 -0.0000000), wk = 0.0036765 k( 70) = ( 0.1406250 0.1406250 -0.0000000), wk = 0.0036765 k( 71) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0036765 k( 72) = ( 0.1093750 0.1093750 -0.0000000), wk = 0.0036765 k( 73) = ( 0.0937500 0.0937500 -0.0000000), wk = 0.0036765 k( 74) = ( 0.0781250 0.0781250 -0.0000000), wk = 0.0036765 k( 75) = ( 0.0625000 0.0625000 -0.0000000), wk = 0.0036765 k( 76) = ( 0.0468750 0.0468750 -0.0000000), wk = 0.0036765 k( 77) = ( 0.0312500 0.0312500 -0.0000000), wk = 0.0036765 k( 78) = ( 0.0156250 0.0156250 -0.0000000), wk = 0.0036765 k( 79) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 80) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 81) = ( 0.0000000 0.0000000 0.0135135), wk = 0.0036765 k( 82) = ( 0.0000000 0.0000000 0.0270270), wk = 0.0036765 k( 83) = ( 0.0000000 0.0000000 0.0405405), wk = 0.0036765 k( 84) = ( 0.0000000 0.0000000 0.0540540), wk = 0.0036765 k( 85) = ( 0.0000000 0.0000000 0.0675676), wk = 0.0036765 k( 86) = ( 0.0000000 0.0000000 0.0810811), wk = 0.0036765 k( 87) = ( 0.0000000 0.0000000 0.0945946), wk = 0.0036765 k( 88) = ( 0.0000000 0.0000000 0.1081081), wk = 0.0036765 k( 89) = ( 0.0000000 0.0000000 0.1216216), wk = 0.0036765 k( 90) = ( 0.0000000 0.0000000 0.1351351), wk = 0.0036765 k( 91) = ( 0.0000000 0.0000000 0.1486486), wk = 0.0036765 k( 92) = ( 0.0000000 0.0000000 0.1621622), wk = 0.0036765 k( 93) = ( 0.0000000 0.0000000 0.1756757), wk = 0.0036765 k( 94) = ( 0.0000000 0.0000000 0.1891892), wk = 0.0036765 k( 95) = ( 0.0000000 0.0000000 0.2027027), wk = 0.0036765 k( 96) = ( 0.0000000 0.0000000 0.2162162), wk = 0.0036765 k( 97) = ( 0.0000000 0.0000000 0.2297297), wk = 0.0036765 k( 98) = ( 0.0000000 0.0000000 0.2432432), wk = 0.0036765 k( 99) = ( 0.0000000 0.0000000 0.2567568), wk = 0.0036765 k( 100) = ( 0.0000000 0.0000000 0.2702703), wk = 0.0036765 k( 101) = ( 0.0000000 0.0000000 0.2837838), wk = 0.0036765 k( 102) = ( 0.0000000 0.0000000 0.2972973), wk = 0.0036765 k( 103) = ( 0.0000000 0.0000000 0.3108108), wk = 0.0036765 k( 104) = ( 0.0000000 0.0000000 0.3243243), wk = 0.0036765 k( 105) = ( 0.0000000 0.0000000 0.3378378), wk = 0.0036765 k( 106) = ( 0.0000000 0.0000000 0.3513514), wk = 0.0036765 k( 107) = ( 0.0000000 0.0000000 0.3648649), wk = 0.0036765 k( 108) = ( 0.0000000 0.0000000 0.3783784), wk = 0.0036765 k( 109) = ( 0.0000000 0.0000000 0.3918919), wk = 0.0036765 k( 110) = ( 0.0000000 0.0000000 0.4054054), wk = 0.0036765 k( 111) = ( 0.0000000 0.0000000 0.4189189), wk = 0.0036765 k( 112) = ( 0.0000000 0.0000000 0.4324324), wk = 0.0036765 k( 113) = ( 0.0000000 0.0000000 0.4459459), wk = 0.0036765 k( 114) = ( 0.0000000 0.0000000 0.4594595), wk = 0.0036765 k( 115) = ( 0.0000000 0.0000000 0.4729730), wk = 0.0036765 k( 116) = ( 0.0000000 0.0000000 0.4864865), wk = 0.0036765 k( 117) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036765 k( 118) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036765 k( 119) = ( 0.0000000 0.0227273 0.5000000), wk = 0.0036765 k( 120) = ( 0.0000000 0.0454546 0.5000000), wk = 0.0036765 k( 121) = ( 0.0000000 0.0681818 0.5000000), wk = 0.0036765 k( 122) = ( 0.0000000 0.0909091 0.5000000), wk = 0.0036765 k( 123) = ( 0.0000000 0.1136364 0.5000000), wk = 0.0036765 k( 124) = ( 0.0000000 0.1363636 0.5000000), wk = 0.0036765 k( 125) = ( 0.0000000 0.1590909 0.5000000), wk = 0.0036765 k( 126) = ( 0.0000000 0.1818182 0.5000000), wk = 0.0036765 k( 127) = ( 0.0000000 0.2045454 0.5000000), wk = 0.0036765 k( 128) = ( 0.0000000 0.2272727 0.5000000), wk = 0.0036765 k( 129) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0036765 k( 130) = ( 0.0000000 0.2727273 0.5000000), wk = 0.0036765 k( 131) = ( 0.0000000 0.2954545 0.5000000), wk = 0.0036765 k( 132) = ( 0.0000000 0.3181818 0.5000000), wk = 0.0036765 k( 133) = ( 0.0000000 0.3409091 0.5000000), wk = 0.0036765 k( 134) = ( 0.0000000 0.3636364 0.5000000), wk = 0.0036765 k( 135) = ( 0.0000000 0.3863636 0.5000000), wk = 0.0036765 k( 136) = ( 0.0000000 0.4090909 0.5000000), wk = 0.0036765 k( 137) = ( 0.0000000 0.4318182 0.5000000), wk = 0.0036765 k( 138) = ( 0.0000000 0.4545455 0.5000000), wk = 0.0036765 k( 139) = ( 0.0000000 0.4772727 0.5000000), wk = 0.0036765 k( 140) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0036765 k( 141) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0036765 k( 142) = ( 0.0227273 0.5000000 0.5000000), wk = 0.0036765 k( 143) = ( 0.0454546 0.5000000 0.5000000), wk = 0.0036765 k( 144) = ( 0.0681818 0.5000000 0.5000000), wk = 0.0036765 k( 145) = ( 0.0909091 0.5000000 0.5000000), wk = 0.0036765 k( 146) = ( 0.1136364 0.5000000 0.5000000), wk = 0.0036765 k( 147) = ( 0.1363636 0.5000000 0.5000000), wk = 0.0036765 k( 148) = ( 0.1590909 0.5000000 0.5000000), wk = 0.0036765 k( 149) = ( 0.1818182 0.5000000 0.5000000), wk = 0.0036765 k( 150) = ( 0.2045454 0.5000000 0.5000000), wk = 0.0036765 k( 151) = ( 0.2272727 0.5000000 0.5000000), wk = 0.0036765 k( 152) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0036765 k( 153) = ( 0.2727273 0.5000000 0.5000000), wk = 0.0036765 k( 154) = ( 0.2954545 0.5000000 0.5000000), wk = 0.0036765 k( 155) = ( 0.3181818 0.5000000 0.5000000), wk = 0.0036765 k( 156) = ( 0.3409091 0.5000000 0.5000000), wk = 0.0036765 k( 157) = ( 0.3636364 0.5000000 0.5000000), wk = 0.0036765 k( 158) = ( 0.3863636 0.5000000 0.5000000), wk = 0.0036765 k( 159) = ( 0.4090909 0.5000000 0.5000000), wk = 0.0036765 k( 160) = ( 0.4318182 0.5000000 0.5000000), wk = 0.0036765 k( 161) = ( 0.4545455 0.5000000 0.5000000), wk = 0.0036765 k( 162) = ( 0.4772727 0.5000000 0.5000000), wk = 0.0036765 k( 163) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036765 k( 164) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036765 k( 165) = ( 0.4843750 0.4843750 0.5000000), wk = 0.0036765 k( 166) = ( 0.4687500 0.4687500 0.5000000), wk = 0.0036765 k( 167) = ( 0.4531250 0.4531250 0.5000000), wk = 0.0036765 k( 168) = ( 0.4375000 0.4375000 0.5000000), wk = 0.0036765 k( 169) = ( 0.4218750 0.4218750 0.5000000), wk = 0.0036765 k( 170) = ( 0.4062500 0.4062500 0.5000000), wk = 0.0036765 k( 171) = ( 0.3906250 0.3906250 0.5000000), wk = 0.0036765 k( 172) = ( 0.3750000 0.3750000 0.5000000), wk = 0.0036765 k( 173) = ( 0.3593750 0.3593750 0.5000000), wk = 0.0036765 k( 174) = ( 0.3437500 0.3437500 0.5000000), wk = 0.0036765 k( 175) = ( 0.3281250 0.3281250 0.5000000), wk = 0.0036765 k( 176) = ( 0.3125000 0.3125000 0.5000000), wk = 0.0036765 k( 177) = ( 0.2968750 0.2968750 0.5000000), wk = 0.0036765 k( 178) = ( 0.2812500 0.2812500 0.5000000), wk = 0.0036765 k( 179) = ( 0.2656250 0.2656250 0.5000000), wk = 0.0036765 k( 180) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0036765 k( 181) = ( 0.2343750 0.2343750 0.5000000), wk = 0.0036765 k( 182) = ( 0.2187500 0.2187500 0.5000000), wk = 0.0036765 k( 183) = ( 0.2031250 0.2031250 0.5000000), wk = 0.0036765 k( 184) = ( 0.1875000 0.1875000 0.5000000), wk = 0.0036765 k( 185) = ( 0.1718750 0.1718750 0.5000000), wk = 0.0036765 k( 186) = ( 0.1562500 0.1562500 0.5000000), wk = 0.0036765 k( 187) = ( 0.1406250 0.1406250 0.5000000), wk = 0.0036765 k( 188) = ( 0.1250000 0.1250000 0.5000000), wk = 0.0036765 k( 189) = ( 0.1093750 0.1093750 0.5000000), wk = 0.0036765 k( 190) = ( 0.0937500 0.0937500 0.5000000), wk = 0.0036765 k( 191) = ( 0.0781250 0.0781250 0.5000000), wk = 0.0036765 k( 192) = ( 0.0625000 0.0625000 0.5000000), wk = 0.0036765 k( 193) = ( 0.0468750 0.0468750 0.5000000), wk = 0.0036765 k( 194) = ( 0.0312500 0.0312500 0.5000000), wk = 0.0036765 k( 195) = ( 0.0156250 0.0156250 0.5000000), wk = 0.0036765 k( 196) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036765 k( 197) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0036765 k( 198) = ( 0.0000000 0.5000000 0.0135135), wk = 0.0036765 k( 199) = ( 0.0000000 0.5000000 0.0270270), wk = 0.0036765 k( 200) = ( 0.0000000 0.5000000 0.0405405), wk = 0.0036765 k( 201) = ( 0.0000000 0.5000000 0.0540540), wk = 0.0036765 k( 202) = ( 0.0000000 0.5000000 0.0675676), wk = 0.0036765 k( 203) = ( 0.0000000 0.5000000 0.0810811), wk = 0.0036765 k( 204) = ( 0.0000000 0.5000000 0.0945946), wk = 0.0036765 k( 205) = ( 0.0000000 0.5000000 0.1081081), wk = 0.0036765 k( 206) = ( 0.0000000 0.5000000 0.1216216), wk = 0.0036765 k( 207) = ( 0.0000000 0.5000000 0.1351351), wk = 0.0036765 k( 208) = ( 0.0000000 0.5000000 0.1486486), wk = 0.0036765 k( 209) = ( 0.0000000 0.5000000 0.1621622), wk = 0.0036765 k( 210) = ( 0.0000000 0.5000000 0.1756757), wk = 0.0036765 k( 211) = ( 0.0000000 0.5000000 0.1891892), wk = 0.0036765 k( 212) = ( 0.0000000 0.5000000 0.2027027), wk = 0.0036765 k( 213) = ( 0.0000000 0.5000000 0.2162162), wk = 0.0036765 k( 214) = ( 0.0000000 0.5000000 0.2297297), wk = 0.0036765 k( 215) = ( 0.0000000 0.5000000 0.2432432), wk = 0.0036765 k( 216) = ( 0.0000000 0.5000000 0.2567568), wk = 0.0036765 k( 217) = ( 0.0000000 0.5000000 0.2702703), wk = 0.0036765 k( 218) = ( 0.0000000 0.5000000 0.2837838), wk = 0.0036765 k( 219) = ( 0.0000000 0.5000000 0.2972973), wk = 0.0036765 k( 220) = ( 0.0000000 0.5000000 0.3108108), wk = 0.0036765 k( 221) = ( 0.0000000 0.5000000 0.3243243), wk = 0.0036765 k( 222) = ( 0.0000000 0.5000000 0.3378378), wk = 0.0036765 k( 223) = ( 0.0000000 0.5000000 0.3513514), wk = 0.0036765 k( 224) = ( 0.0000000 0.5000000 0.3648649), wk = 0.0036765 k( 225) = ( 0.0000000 0.5000000 0.3783784), wk = 0.0036765 k( 226) = ( 0.0000000 0.5000000 0.3918919), wk = 0.0036765 k( 227) = ( 0.0000000 0.5000000 0.4054054), wk = 0.0036765 k( 228) = ( 0.0000000 0.5000000 0.4189189), wk = 0.0036765 k( 229) = ( 0.0000000 0.5000000 0.4324324), wk = 0.0036765 k( 230) = ( 0.0000000 0.5000000 0.4459459), wk = 0.0036765 k( 231) = ( 0.0000000 0.5000000 0.4594595), wk = 0.0036765 k( 232) = ( 0.0000000 0.5000000 0.4729730), wk = 0.0036765 k( 233) = ( 0.0000000 0.5000000 0.4864865), wk = 0.0036765 k( 234) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0036765 k( 235) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0036765 k( 236) = ( 0.5000000 0.5000000 0.0135135), wk = 0.0036765 k( 237) = ( 0.5000000 0.5000000 0.0270270), wk = 0.0036765 k( 238) = ( 0.5000000 0.5000000 0.0405405), wk = 0.0036765 k( 239) = ( 0.5000000 0.5000000 0.0540540), wk = 0.0036765 k( 240) = ( 0.5000000 0.5000000 0.0675676), wk = 0.0036765 k( 241) = ( 0.5000000 0.5000000 0.0810811), wk = 0.0036765 k( 242) = ( 0.5000000 0.5000000 0.0945946), wk = 0.0036765 k( 243) = ( 0.5000000 0.5000000 0.1081081), wk = 0.0036765 k( 244) = ( 0.5000000 0.5000000 0.1216216), wk = 0.0036765 k( 245) = ( 0.5000000 0.5000000 0.1351351), wk = 0.0036765 k( 246) = ( 0.5000000 0.5000000 0.1486486), wk = 0.0036765 k( 247) = ( 0.5000000 0.5000000 0.1621622), wk = 0.0036765 k( 248) = ( 0.5000000 0.5000000 0.1756757), wk = 0.0036765 k( 249) = ( 0.5000000 0.5000000 0.1891892), wk = 0.0036765 k( 250) = ( 0.5000000 0.5000000 0.2027027), wk = 0.0036765 k( 251) = ( 0.5000000 0.5000000 0.2162162), wk = 0.0036765 k( 252) = ( 0.5000000 0.5000000 0.2297297), wk = 0.0036765 k( 253) = ( 0.5000000 0.5000000 0.2432432), wk = 0.0036765 k( 254) = ( 0.5000000 0.5000000 0.2567568), wk = 0.0036765 k( 255) = ( 0.5000000 0.5000000 0.2702703), wk = 0.0036765 k( 256) = ( 0.5000000 0.5000000 0.2837838), wk = 0.0036765 k( 257) = ( 0.5000000 0.5000000 0.2972973), wk = 0.0036765 k( 258) = ( 0.5000000 0.5000000 0.3108108), wk = 0.0036765 k( 259) = ( 0.5000000 0.5000000 0.3243243), wk = 0.0036765 k( 260) = ( 0.5000000 0.5000000 0.3378378), wk = 0.0036765 k( 261) = ( 0.5000000 0.5000000 0.3513514), wk = 0.0036765 k( 262) = ( 0.5000000 0.5000000 0.3648649), wk = 0.0036765 k( 263) = ( 0.5000000 0.5000000 0.3783784), wk = 0.0036765 k( 264) = ( 0.5000000 0.5000000 0.3918919), wk = 0.0036765 k( 265) = ( 0.5000000 0.5000000 0.4054054), wk = 0.0036765 k( 266) = ( 0.5000000 0.5000000 0.4189189), wk = 0.0036765 k( 267) = ( 0.5000000 0.5000000 0.4324324), wk = 0.0036765 k( 268) = ( 0.5000000 0.5000000 0.4459459), wk = 0.0036765 k( 269) = ( 0.5000000 0.5000000 0.4594595), wk = 0.0036765 k( 270) = ( 0.5000000 0.5000000 0.4729730), wk = 0.0036765 k( 271) = ( 0.5000000 0.5000000 0.4864865), wk = 0.0036765 k( 272) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036765 Dense grid: 318625 G-vectors FFT dimensions: ( 108, 108, 64) Smooth grid: 90783 G-vectors FFT dimensions: ( 72, 72, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.43 Mb ( 330, 86) NL pseudopotentials 0.60 Mb ( 165, 238) Each V/rho on FFT grid 0.18 Mb ( 11664) Each G-vector array 0.03 Mb ( 4427) G-vector shells 0.02 Mb ( 2169) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.73 Mb ( 330, 344) Each subspace H/S matrix 0.05 Mb ( 57, 57) Each matrix 0.62 Mb ( 238, 2, 86) The potential is recalculated from file : ./Tl2PdCl4.save/charge-density.dat Starting wfc are 88 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.8 secs Computing kpt #: 2 total cpu time spent up to now is 6.6 secs Computing kpt #: 3 total cpu time spent up to now is 7.9 secs Computing kpt #: 4 total cpu time spent up to now is 9.2 secs Computing kpt #: 5 total cpu time spent up to now is 10.6 secs Computing kpt #: 6 total cpu time spent up to now is 11.9 secs Computing kpt #: 7 total cpu time spent up to now is 13.3 secs Computing kpt #: 8 total cpu time spent up to now is 14.7 secs Computing kpt #: 9 total cpu time spent up to now is 16.1 secs Computing kpt #: 10 total cpu time spent up to now is 17.5 secs Computing kpt #: 11 total cpu time spent up to now is 18.9 secs Computing kpt #: 12 total cpu time spent up to now is 20.4 secs Computing kpt #: 13 total cpu time spent up to now is 21.8 secs Computing kpt #: 14 total cpu time spent up to now is 23.3 secs Computing kpt #: 15 total cpu time spent up to now is 24.8 secs Computing kpt #: 16 total cpu time spent up to now is 26.3 secs Computing kpt #: 17 total cpu time spent up to now is 27.8 secs Computing kpt #: 18 total cpu time spent up to now is 29.3 secs Computing kpt #: 19 total cpu time spent up to now is 30.8 secs Computing kpt #: 20 total cpu time spent up to now is 32.3 secs Computing kpt #: 21 total cpu time spent up to now is 33.8 secs Computing kpt #: 22 total cpu time spent up to now is 35.3 secs Computing kpt #: 23 total cpu time spent up to now is 36.7 secs Computing kpt #: 24 total cpu time spent up to now is 38.2 secs Computing kpt #: 25 total cpu time spent up to now is 39.6 secs Computing kpt #: 26 total cpu time spent up to now is 41.1 secs Computing kpt #: 27 total cpu time spent up to now is 42.5 secs Computing kpt #: 28 total cpu time spent up to now is 44.0 secs Computing kpt #: 29 total cpu time spent up to now is 45.5 secs Computing kpt #: 30 total cpu time spent up to now is 46.9 secs Computing kpt #: 31 total cpu time spent up to now is 48.3 secs Computing kpt #: 32 total cpu time spent up to now is 49.8 secs Computing kpt #: 33 total cpu time spent up to now is 51.3 secs Computing kpt #: 34 total cpu time spent up to now is 52.8 secs Computing kpt #: 35 total cpu time spent up to now is 54.3 secs Computing kpt #: 36 total cpu time spent up to now is 55.8 secs Computing kpt #: 37 total cpu time spent up to now is 57.2 secs Computing kpt #: 38 total cpu time spent up to now is 58.7 secs Computing kpt #: 39 total cpu time spent up to now is 60.3 secs Computing kpt #: 40 total cpu time spent up to now is 61.8 secs Computing kpt #: 41 total cpu time spent up to now is 63.3 secs Computing kpt #: 42 total cpu time spent up to now is 64.8 secs Computing kpt #: 43 total cpu time spent up to now is 66.3 secs Computing kpt #: 44 total cpu time spent up to now is 67.7 secs Computing kpt #: 45 total cpu time spent up to now is 69.2 secs Computing kpt #: 46 total cpu time spent up to now is 70.6 secs Computing kpt #: 47 total cpu time spent up to now is 72.0 secs Computing kpt #: 48 total cpu time spent up to now is 73.4 secs Computing kpt #: 49 total cpu time spent up to now is 74.9 secs Computing kpt #: 50 total cpu time spent up to now is 76.3 secs Computing kpt #: 51 total cpu time spent up to now is 77.8 secs Computing kpt #: 52 total cpu time spent up to now is 79.3 secs Computing kpt #: 53 total cpu time spent up to now is 80.9 secs Computing kpt #: 54 total cpu time spent up to now is 82.7 secs Computing kpt #: 55 total cpu time spent up to now is 84.4 secs Computing kpt #: 56 total cpu time spent up to now is 86.2 secs Computing kpt #: 57 total cpu time spent up to now is 87.9 secs Computing kpt #: 58 total cpu time spent up to now is 89.7 secs Computing kpt #: 59 total cpu time spent up to now is 91.4 secs Computing kpt #: 60 total cpu time spent up to now is 93.3 secs Computing kpt #: 61 total cpu time spent up to now is 95.0 secs Computing kpt #: 62 total cpu time spent up to now is 96.6 secs Computing kpt #: 63 total cpu time spent up to now is 98.1 secs Computing kpt #: 64 total cpu time spent up to now is 99.6 secs Computing kpt #: 65 total cpu time spent up to now is 101.1 secs Computing kpt #: 66 total cpu time spent up to now is 102.5 secs Computing kpt #: 67 total cpu time spent up to now is 104.0 secs Computing kpt #: 68 total cpu time spent up to now is 105.4 secs Computing kpt #: 69 total cpu time spent up to now is 106.8 secs Computing kpt #: 70 total cpu time spent up to now is 108.2 secs Computing kpt #: 71 total cpu time spent up to now is 109.6 secs Computing kpt #: 72 total cpu time spent up to now is 111.0 secs Computing kpt #: 73 total cpu time spent up to now is 112.4 secs Computing kpt #: 74 total cpu time spent up to now is 113.7 secs Computing kpt #: 75 total cpu time spent up to now is 115.1 secs Computing kpt #: 76 total cpu time spent up to now is 116.4 secs Computing kpt #: 77 total cpu time spent up to now is 117.7 secs Computing kpt #: 78 total cpu time spent up to now is 119.0 secs Computing kpt #: 79 total cpu time spent up to now is 120.3 secs Computing kpt #: 80 total cpu time spent up to now is 121.6 secs Computing kpt #: 81 total cpu time spent up to now is 122.9 secs Computing kpt #: 82 total cpu time spent up to now is 124.2 secs Computing kpt #: 83 total cpu time spent up to now is 125.5 secs Computing kpt #: 84 total cpu time spent up to now is 126.8 secs Computing kpt #: 85 total cpu time spent up to now is 128.1 secs Computing kpt #: 86 total cpu time spent up to now is 129.5 secs Computing kpt #: 87 total cpu time spent up to now is 130.9 secs Computing kpt #: 88 total cpu time spent up to now is 132.3 secs Computing kpt #: 89 total cpu time spent up to now is 133.7 secs Computing kpt #: 90 total cpu time spent up to now is 135.2 secs Computing kpt #: 91 total cpu time spent up to now is 136.6 secs Computing kpt #: 92 total cpu time spent up to now is 138.1 secs Computing kpt #: 93 total cpu time spent up to now is 139.8 secs Computing kpt #: 94 total cpu time spent up to now is 141.5 secs Computing kpt #: 95 total cpu time spent up to now is 143.2 secs Computing kpt #: 96 total cpu time spent up to now is 145.0 secs Computing kpt #: 97 total cpu time spent up to now is 146.7 secs Computing kpt #: 98 total cpu time spent up to now is 148.4 secs Computing kpt #: 99 total cpu time spent up to now is 150.0 secs Computing kpt #: 100 total cpu time spent up to now is 151.5 secs Computing kpt #: 101 total cpu time spent up to now is 153.0 secs Computing kpt #: 102 total cpu time spent up to now is 154.5 secs Computing kpt #: 103 total cpu time spent up to now is 156.0 secs Computing kpt #: 104 total cpu time spent up to now is 157.6 secs Computing kpt #: 105 total cpu time spent up to now is 159.1 secs Computing kpt #: 106 total cpu time spent up to now is 160.5 secs Computing kpt #: 107 total cpu time spent up to now is 162.0 secs Computing kpt #: 108 total cpu time spent up to now is 163.4 secs Computing kpt #: 109 total cpu time spent up to now is 164.9 secs Computing kpt #: 110 total cpu time spent up to now is 166.3 secs Computing kpt #: 111 total cpu time spent up to now is 167.7 secs Computing kpt #: 112 total cpu time spent up to now is 169.1 secs Computing kpt #: 113 total cpu time spent up to now is 170.6 secs Computing kpt #: 114 total cpu time spent up to now is 172.1 secs Computing kpt #: 115 total cpu time spent up to now is 173.8 secs Computing kpt #: 116 total cpu time spent up to now is 175.5 secs Computing kpt #: 117 total cpu time spent up to now is 176.9 secs Computing kpt #: 118 total cpu time spent up to now is 178.3 secs Computing kpt #: 119 total cpu time spent up to now is 180.0 secs Computing kpt #: 120 total cpu time spent up to now is 181.5 secs Computing kpt #: 121 total cpu time spent up to now is 183.0 secs Computing kpt #: 122 total cpu time spent up to now is 184.5 secs Computing kpt #: 123 total cpu time spent up to now is 185.9 secs Computing kpt #: 124 total cpu time spent up to now is 187.4 secs Computing kpt #: 125 total cpu time spent up to now is 188.7 secs Computing kpt #: 126 total cpu time spent up to now is 190.2 secs Computing kpt #: 127 total cpu time spent up to now is 191.5 secs Computing kpt #: 128 total cpu time spent up to now is 192.9 secs Computing kpt #: 129 total cpu time spent up to now is 194.3 secs Computing kpt #: 130 total cpu time spent up to now is 195.7 secs Computing kpt #: 131 total cpu time spent up to now is 197.1 secs Computing kpt #: 132 total cpu time spent up to now is 198.6 secs Computing kpt #: 133 total cpu time spent up to now is 200.0 secs Computing kpt #: 134 total cpu time spent up to now is 201.5 secs Computing kpt #: 135 total cpu time spent up to now is 202.8 secs Computing kpt #: 136 total cpu time spent up to now is 204.3 secs Computing kpt #: 137 total cpu time spent up to now is 205.7 secs Computing kpt #: 138 total cpu time spent up to now is 207.1 secs Computing kpt #: 139 total cpu time spent up to now is 208.5 secs Computing kpt #: 140 total cpu time spent up to now is 209.8 secs Computing kpt #: 141 total cpu time spent up to now is 211.2 secs Computing kpt #: 142 total cpu time spent up to now is 212.6 secs Computing kpt #: 143 total cpu time spent up to now is 214.0 secs Computing kpt #: 144 total cpu time spent up to now is 215.4 secs Computing kpt #: 145 total cpu time spent up to now is 216.7 secs Computing kpt #: 146 total cpu time spent up to now is 218.0 secs Computing kpt #: 147 total cpu time spent up to now is 219.4 secs Computing kpt #: 148 total cpu time spent up to now is 220.8 secs Computing kpt #: 149 total cpu time spent up to now is 222.1 secs Computing kpt #: 150 total cpu time spent up to now is 223.4 secs Computing kpt #: 151 total cpu time spent up to now is 224.8 secs Computing kpt #: 152 total cpu time spent up to now is 226.1 secs Computing kpt #: 153 total cpu time spent up to now is 227.4 secs Computing kpt #: 154 total cpu time spent up to now is 228.7 secs Computing kpt #: 155 total cpu time spent up to now is 230.0 secs Computing kpt #: 156 total cpu time spent up to now is 231.3 secs Computing kpt #: 157 total cpu time spent up to now is 232.5 secs Computing kpt #: 158 total cpu time spent up to now is 233.8 secs Computing kpt #: 159 total cpu time spent up to now is 235.1 secs Computing kpt #: 160 total cpu time spent up to now is 236.3 secs Computing kpt #: 161 total cpu time spent up to now is 237.6 secs Computing kpt #: 162 total cpu time spent up to now is 238.8 secs Computing kpt #: 163 total cpu time spent up to now is 240.1 secs Computing kpt #: 164 total cpu time spent up to now is 241.3 secs Computing kpt #: 165 total cpu time spent up to now is 242.5 secs Computing kpt #: 166 total cpu time spent up to now is 243.8 secs Computing kpt #: 167 total cpu time spent up to now is 245.0 secs Computing kpt #: 168 total cpu time spent up to now is 246.3 secs Computing kpt #: 169 total cpu time spent up to now is 247.6 secs Computing kpt #: 170 total cpu time spent up to now is 248.9 secs Computing kpt #: 171 total cpu time spent up to now is 250.2 secs Computing kpt #: 172 total cpu time spent up to now is 251.5 secs Computing kpt #: 173 total cpu time spent up to now is 252.8 secs Computing kpt #: 174 total cpu time spent up to now is 254.1 secs Computing kpt #: 175 total cpu time spent up to now is 255.4 secs Computing kpt #: 176 total cpu time spent up to now is 256.7 secs Computing kpt #: 177 total cpu time spent up to now is 258.0 secs Computing kpt #: 178 total cpu time spent up to now is 259.3 secs Computing kpt #: 179 total cpu time spent up to now is 260.7 secs Computing kpt #: 180 total cpu time spent up to now is 262.0 secs Computing kpt #: 181 total cpu time spent up to now is 263.4 secs Computing kpt #: 182 total cpu time spent up to now is 264.7 secs Computing kpt #: 183 total cpu time spent up to now is 266.1 secs Computing kpt #: 184 total cpu time spent up to now is 267.4 secs Computing kpt #: 185 total cpu time spent up to now is 268.8 secs Computing kpt #: 186 total cpu time spent up to now is 270.2 secs Computing kpt #: 187 total cpu time spent up to now is 271.6 secs Computing kpt #: 188 total cpu time spent up to now is 272.9 secs Computing kpt #: 189 total cpu time spent up to now is 274.3 secs Computing kpt #: 190 total cpu time spent up to now is 275.7 secs Computing kpt #: 191 total cpu time spent up to now is 277.1 secs Computing kpt #: 192 total cpu time spent up to now is 278.5 secs Computing kpt #: 193 total cpu time spent up to now is 279.9 secs Computing kpt #: 194 total cpu time spent up to now is 281.4 secs Computing kpt #: 195 total cpu time spent up to now is 283.1 secs Computing kpt #: 196 total cpu time spent up to now is 284.5 secs Computing kpt #: 197 total cpu time spent up to now is 286.0 secs Computing kpt #: 198 total cpu time spent up to now is 287.4 secs Computing kpt #: 199 total cpu time spent up to now is 288.9 secs Computing kpt #: 200 total cpu time spent up to now is 290.3 secs Computing kpt #: 201 total cpu time spent up to now is 291.8 secs Computing kpt #: 202 total cpu time spent up to now is 293.2 secs Computing kpt #: 203 total cpu time spent up to now is 294.6 secs Computing kpt #: 204 total cpu time spent up to now is 296.1 secs Computing kpt #: 205 total cpu time spent up to now is 297.5 secs Computing kpt #: 206 total cpu time spent up to now is 298.9 secs Computing kpt #: 207 total cpu time spent up to now is 300.4 secs Computing kpt #: 208 total cpu time spent up to now is 301.8 secs Computing kpt #: 209 total cpu time spent up to now is 303.2 secs Computing kpt #: 210 total cpu time spent up to now is 304.6 secs Computing kpt #: 211 total cpu time spent up to now is 306.4 secs Computing kpt #: 212 total cpu time spent up to now is 307.8 secs Computing kpt #: 213 total cpu time spent up to now is 309.2 secs Computing kpt #: 214 total cpu time spent up to now is 310.7 secs Computing kpt #: 215 total cpu time spent up to now is 312.1 secs Computing kpt #: 216 total cpu time spent up to now is 313.5 secs Computing kpt #: 217 total cpu time spent up to now is 314.9 secs Computing kpt #: 218 total cpu time spent up to now is 316.3 secs Computing kpt #: 219 total cpu time spent up to now is 317.7 secs Computing kpt #: 220 total cpu time spent up to now is 319.1 secs Computing kpt #: 221 total cpu time spent up to now is 320.5 secs Computing kpt #: 222 total cpu time spent up to now is 321.9 secs Computing kpt #: 223 total cpu time spent up to now is 323.3 secs Computing kpt #: 224 total cpu time spent up to now is 324.7 secs Computing kpt #: 225 total cpu time spent up to now is 326.1 secs Computing kpt #: 226 total cpu time spent up to now is 327.5 secs Computing kpt #: 227 total cpu time spent up to now is 328.9 secs Computing kpt #: 228 total cpu time spent up to now is 330.3 secs Computing kpt #: 229 total cpu time spent up to now is 331.7 secs Computing kpt #: 230 total cpu time spent up to now is 333.1 secs Computing kpt #: 231 total cpu time spent up to now is 334.5 secs Computing kpt #: 232 total cpu time spent up to now is 335.9 secs Computing kpt #: 233 total cpu time spent up to now is 337.2 secs Computing kpt #: 234 total cpu time spent up to now is 338.6 secs Computing kpt #: 235 total cpu time spent up to now is 340.0 secs Computing kpt #: 236 total cpu time spent up to now is 341.5 secs Computing kpt #: 237 total cpu time spent up to now is 342.9 secs Computing kpt #: 238 total cpu time spent up to now is 344.3 secs Computing kpt #: 239 total cpu time spent up to now is 345.7 secs Computing kpt #: 240 total cpu time spent up to now is 347.1 secs Computing kpt #: 241 total cpu time spent up to now is 348.4 secs Computing kpt #: 242 total cpu time spent up to now is 349.8 secs Computing kpt #: 243 total cpu time spent up to now is 351.1 secs Computing kpt #: 244 total cpu time spent up to now is 352.5 secs Computing kpt #: 245 total cpu time spent up to now is 353.8 secs Computing kpt #: 246 total cpu time spent up to now is 355.1 secs Computing kpt #: 247 total cpu time spent up to now is 356.4 secs Computing kpt #: 248 total cpu time spent up to now is 357.8 secs Computing kpt #: 249 total cpu time spent up to now is 359.1 secs Computing kpt #: 250 total cpu time spent up to now is 360.4 secs Computing kpt #: 251 total cpu time spent up to now is 361.7 secs Computing kpt #: 252 total cpu time spent up to now is 363.1 secs Computing kpt #: 253 total cpu time spent up to now is 364.4 secs Computing kpt #: 254 total cpu time spent up to now is 365.7 secs Computing kpt #: 255 total cpu time spent up to now is 367.1 secs Computing kpt #: 256 total cpu time spent up to now is 368.4 secs Computing kpt #: 257 total cpu time spent up to now is 369.7 secs Computing kpt #: 258 total cpu time spent up to now is 371.0 secs Computing kpt #: 259 total cpu time spent up to now is 372.4 secs Computing kpt #: 260 total cpu time spent up to now is 373.7 secs Computing kpt #: 261 total cpu time spent up to now is 375.0 secs Computing kpt #: 262 total cpu time spent up to now is 376.4 secs Computing kpt #: 263 total cpu time spent up to now is 377.7 secs Computing kpt #: 264 total cpu time spent up to now is 379.0 secs Computing kpt #: 265 total cpu time spent up to now is 380.4 secs Computing kpt #: 266 total cpu time spent up to now is 381.7 secs Computing kpt #: 267 total cpu time spent up to now is 383.0 secs Computing kpt #: 268 total cpu time spent up to now is 384.3 secs Computing kpt #: 269 total cpu time spent up to now is 385.5 secs Computing kpt #: 270 total cpu time spent up to now is 386.8 secs Computing kpt #: 271 total cpu time spent up to now is 388.0 secs Computing kpt #: 272 total cpu time spent up to now is 389.3 secs ethr = 1.39E-08, avg # of iterations = 16.8 total cpu time spent up to now is 389.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 11351 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0688 -44.0688 -11.1324 -11.1324 -10.6303 -10.6303 -10.6187 -10.6187 -10.5432 -10.5432 -7.4471 -7.4471 -7.4463 -7.4463 -7.4381 -7.4381 -7.4284 -7.4284 -5.2823 -5.2823 -5.2695 -5.2695 -5.2644 -5.2644 -5.2539 -5.2539 -5.2463 -5.2463 -5.2327 -5.2327 -1.9970 -1.9970 -1.2076 -1.2076 -0.9129 -0.9129 -0.0264 -0.0264 0.1770 0.1770 0.1863 0.1863 0.8065 0.8065 0.8559 0.8559 1.0765 1.0765 1.1416 1.1416 1.7484 1.7484 1.8608 1.8608 1.8937 1.8937 2.4544 2.4544 2.5437 2.5437 3.1823 3.1823 3.2444 3.2444 3.7100 3.7100 5.5018 5.5018 6.4062 6.4062 7.3094 7.3094 8.3613 8.3613 8.4182 8.4182 8.8300 8.8300 9.7237 9.7237 k = 0.0000 0.0227-0.0000 ( 11343 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0688 -44.0688 -11.1321 -11.1321 -10.6305 -10.6305 -10.6189 -10.6189 -10.5433 -10.5433 -7.4471 -7.4471 -7.4462 -7.4462 -7.4381 -7.4381 -7.4284 -7.4284 -5.2822 -5.2822 -5.2695 -5.2695 -5.2644 -5.2644 -5.2539 -5.2539 -5.2464 -5.2464 -5.2328 -5.2328 -1.9956 -1.9956 -1.2070 -1.2070 -0.9139 -0.9139 -0.0340 -0.0340 0.1806 0.1806 0.1903 0.1903 0.8060 0.8060 0.8553 0.8553 1.0778 1.0778 1.1385 1.1385 1.7505 1.7505 1.8626 1.8626 1.8935 1.8935 2.4525 2.4525 2.5441 2.5441 3.1822 3.1822 3.2442 3.2442 3.7082 3.7082 5.5000 5.5000 6.4092 6.4092 7.3121 7.3121 8.3455 8.3455 8.4336 8.4336 8.8320 8.8320 9.7214 9.7214 k = 0.0000 0.0455-0.0000 ( 11359 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0688 -44.0688 -11.1313 -11.1313 -10.6309 -10.6309 -10.6192 -10.6192 -10.5436 -10.5436 -7.4471 -7.4471 -7.4462 -7.4462 -7.4381 -7.4381 -7.4285 -7.4285 -5.2822 -5.2822 -5.2695 -5.2695 -5.2643 -5.2643 -5.2538 -5.2538 -5.2465 -5.2465 -5.2328 -5.2328 -1.9913 -1.9913 -1.2053 -1.2053 -0.9166 -0.9166 -0.0547 -0.0547 0.1888 0.1888 0.2030 0.2030 0.8046 0.8046 0.8536 0.8536 1.0814 1.0814 1.1293 1.1293 1.7563 1.7563 1.8680 1.8680 1.8932 1.8932 2.4470 2.4470 2.5451 2.5451 3.1816 3.1816 3.2435 3.2435 3.7026 3.7026 5.4947 5.4947 6.4179 6.4179 7.3203 7.3203 8.3158 8.3158 8.4619 8.4619 8.8379 8.8379 9.7147 9.7147 k = 0.0000 0.0682-0.0000 ( 11353 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0688 -44.0688 -11.1300 -11.1300 -10.6317 -10.6317 -10.6195 -10.6195 -10.5441 -10.5441 -7.4471 -7.4471 -7.4461 -7.4461 -7.4381 -7.4381 -7.4286 -7.4286 -5.2821 -5.2821 -5.2696 -5.2696 -5.2642 -5.2642 -5.2537 -5.2537 -5.2466 -5.2466 -5.2330 -5.2330 -1.9843 -1.9843 -1.2024 -1.2024 -0.9211 -0.9211 -0.0846 -0.0846 0.2001 0.2001 0.2217 0.2217 0.8023 0.8023 0.8510 0.8510 1.0871 1.0871 1.1148 1.1148 1.7647 1.7647 1.8775 1.8775 1.8929 1.8929 2.4379 2.4379 2.5469 2.5469 3.1808 3.1808 3.2424 3.2424 3.6934 3.6934 5.4861 5.4861 6.4323 6.4323 7.3337 7.3337 8.2827 8.2827 8.4926 8.4926 8.8477 8.8477 9.7040 9.7040 k = 0.0000 0.0909-0.0000 ( 11349 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0688 -44.0688 -11.1282 -11.1282 -10.6331 -10.6331 -10.6197 -10.6197 -10.5449 -10.5449 -7.4470 -7.4470 -7.4461 -7.4461 -7.4381 -7.4381 -7.4287 -7.4287 -5.2819 -5.2819 -5.2696 -5.2696 -5.2641 -5.2641 -5.2535 -5.2535 -5.2467 -5.2467 -5.2331 -5.2331 -1.9745 -1.9745 -1.1984 -1.1984 -0.9271 -0.9271 -0.1203 -0.1203 0.2150 0.2150 0.2426 0.2426 0.7989 0.7989 0.8478 0.8478 1.0940 1.0940 1.0966 1.0966 1.7742 1.7742 1.8885 1.8885 1.8957 1.8957 2.4254 2.4254 2.5492 2.5492 3.1796 3.1796 3.2409 3.2409 3.6808 3.6808 5.4745 5.4745 6.4521 6.4521 7.3522 7.3522 8.2480 8.2480 8.5234 8.5234 8.8614 8.8614 9.6898 9.6898 k = 0.0000 0.1136-0.0000 ( 11353 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0688 -44.0688 -11.1259 -11.1259 -10.6352 -10.6352 -10.6195 -10.6195 -10.5458 -10.5458 -7.4470 -7.4470 -7.4460 -7.4460 -7.4381 -7.4381 -7.4288 -7.4288 -5.2817 -5.2817 -5.2697 -5.2697 -5.2639 -5.2639 -5.2533 -5.2533 -5.2469 -5.2469 -5.2334 -5.2334 -1.9621 -1.9621 -1.1934 -1.1934 -0.9344 -0.9344 -0.1599 -0.1599 0.2334 0.2334 0.2635 0.2635 0.7944 0.7944 0.8443 0.8443 1.0735 1.0735 1.1039 1.1039 1.7834 1.7834 1.8896 1.8896 1.9136 1.9136 2.4095 2.4095 2.5521 2.5521 3.1779 3.1779 3.2391 3.2391 3.6649 3.6649 5.4605 5.4605 6.4768 6.4768 7.3755 7.3755 8.2121 8.2121 8.5534 8.5534 8.8789 8.8789 9.6732 9.6732 k = 0.0000 0.1364-0.0000 ( 11351 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0688 -44.0688 -11.1232 -11.1232 -10.6380 -10.6380 -10.6190 -10.6190 -10.5469 -10.5469 -7.4469 -7.4469 -7.4458 -7.4458 -7.4381 -7.4381 -7.4291 -7.4291 -5.2815 -5.2815 -5.2698 -5.2698 -5.2636 -5.2636 -5.2530 -5.2530 -5.2471 -5.2471 -5.2336 -5.2336 -1.9472 -1.9472 -1.1875 -1.1875 -0.9428 -0.9428 -0.2023 -0.2023 0.2549 0.2549 0.2834 0.2834 0.7889 0.7889 0.8406 0.8406 1.0492 1.0492 1.1142 1.1142 1.7918 1.7918 1.8885 1.8885 1.9385 1.9385 2.3905 2.3905 2.5553 2.5553 3.1757 3.1757 3.2370 3.2370 3.6461 3.6461 5.4443 5.4443 6.5062 6.5062 7.4033 7.4033 8.1750 8.1750 8.5818 8.5818 8.9001 8.9001 9.6551 9.6551 k = 0.0000 0.1591-0.0000 ( 11349 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0688 -44.0688 -11.1201 -11.1201 -10.6415 -10.6415 -10.6182 -10.6182 -10.5482 -10.5482 -7.4468 -7.4468 -7.4457 -7.4457 -7.4381 -7.4381 -7.4293 -7.4293 -5.2812 -5.2812 -5.2699 -5.2699 -5.2633 -5.2633 -5.2527 -5.2527 -5.2474 -5.2474 -5.2340 -5.2340 -1.9298 -1.9298 -1.1806 -1.1806 -0.9522 -0.9522 -0.2465 -0.2465 0.2793 0.2793 0.3016 0.3016 0.7825 0.7825 0.8368 0.8368 1.0239 1.0239 1.1252 1.1252 1.7991 1.7991 1.8871 1.8871 1.9682 1.9682 2.3687 2.3687 2.5589 2.5589 3.1730 3.1730 3.2347 3.2347 3.6247 3.6247 5.4266 5.4266 6.5397 6.5397 7.4353 7.4353 8.1368 8.1368 8.6078 8.6078 8.9248 8.9248 9.6370 9.6370 k = 0.0000 0.1818-0.0000 ( 11339 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0688 -44.0688 -11.1166 -11.1166 -10.6456 -10.6456 -10.6171 -10.6171 -10.5497 -10.5497 -7.4466 -7.4466 -7.4455 -7.4455 -7.4380 -7.4380 -7.4296 -7.4296 -5.2809 -5.2809 -5.2700 -5.2700 -5.2630 -5.2630 -5.2523 -5.2523 -5.2477 -5.2477 -5.2344 -5.2344 -1.9101 -1.9101 -1.1730 -1.1730 -0.9620 -0.9620 -0.2921 -0.2921 0.3057 0.3057 0.3180 0.3180 0.7755 0.7755 0.8325 0.8325 0.9986 0.9986 1.1368 1.1368 1.8056 1.8056 1.8855 1.8855 2.0014 2.0014 2.3443 2.3443 2.5627 2.5627 3.1699 3.1699 3.2322 3.2322 3.6011 3.6011 5.4078 5.4078 6.5770 6.5770 7.4708 7.4708 8.0975 8.0975 8.6304 8.6304 8.9530 8.9530 9.6202 9.6202 k = 0.0000 0.2045-0.0000 ( 11333 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0688 -44.0688 -11.1128 -11.1128 -10.6501 -10.6501 -10.6157 -10.6157 -10.5514 -10.5514 -7.4465 -7.4465 -7.4454 -7.4454 -7.4380 -7.4380 -7.4298 -7.4298 -5.2805 -5.2805 -5.2702 -5.2702 -5.2626 -5.2626 -5.2519 -5.2519 -5.2481 -5.2481 -5.2348 -5.2348 -1.8884 -1.8884 -1.1646 -1.1646 -0.9723 -0.9723 -0.3384 -0.3384 0.3285 0.3285 0.3375 0.3375 0.7679 0.7679 0.8276 0.8276 0.9746 0.9746 1.1486 1.1486 1.8115 1.8115 1.8838 1.8838 2.0374 2.0374 2.3177 2.3177 2.5664 2.5664 3.1662 3.1662 3.2294 3.2294 3.5758 3.5758 5.3883 5.3883 6.6177 6.6177 7.5095 7.5095 8.0572 8.0572 8.6483 8.6483 8.9846 8.9846 9.6063 9.6063 k = 0.0000 0.2273-0.0000 ( 11335 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0688 -44.0688 -11.1088 -11.1088 -10.6549 -10.6549 -10.6140 -10.6140 -10.5532 -10.5532 -7.4464 -7.4464 -7.4452 -7.4452 -7.4380 -7.4380 -7.4301 -7.4301 -5.2802 -5.2802 -5.2704 -5.2704 -5.2622 -5.2622 -5.2514 -5.2514 -5.2485 -5.2485 -5.2353 -5.2353 -1.8649 -1.8649 -1.1558 -1.1558 -0.9826 -0.9826 -0.3852 -0.3852 0.3404 0.3404 0.3668 0.3668 0.7602 0.7602 0.8216 0.8216 0.9528 0.9528 1.1605 1.1605 1.8169 1.8169 1.8820 1.8820 2.0754 2.0754 2.2894 2.2894 2.5700 2.5700 3.1621 3.1621 3.2262 3.2262 3.5492 3.5492 5.3686 5.3686 6.6613 6.6613 7.5507 7.5507 8.0163 8.0163 8.6602 8.6602 9.0192 9.0192 9.5967 9.5967 k = 0.0000 0.2500-0.0000 ( 11331 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0688 -44.0688 -11.1045 -11.1045 -10.6600 -10.6600 -10.6122 -10.6122 -10.5552 -10.5552 -7.4462 -7.4462 -7.4450 -7.4450 -7.4379 -7.4379 -7.4305 -7.4305 -5.2798 -5.2798 -5.2707 -5.2707 -5.2617 -5.2617 -5.2509 -5.2509 -5.2489 -5.2489 -5.2358 -5.2358 -1.8398 -1.8398 -1.1465 -1.1465 -0.9929 -0.9929 -0.4319 -0.4319 0.3485 0.3485 0.3981 0.3981 0.7523 0.7523 0.8144 0.8144 0.9340 0.9340 1.1722 1.1722 1.8221 1.8221 1.8801 1.8801 2.1146 2.1146 2.2598 2.2598 2.5733 2.5733 3.1577 3.1577 3.2224 3.2224 3.5220 3.5220 5.3491 5.3491 6.7075 6.7075 7.5932 7.5932 7.9753 7.9753 8.6651 8.6651 9.0568 9.0568 9.5927 9.5927 k = 0.0000 0.2727-0.0000 ( 11333 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0688 -44.0688 -11.1002 -11.1002 -10.6652 -10.6652 -10.6102 -10.6102 -10.5573 -10.5573 -7.4461 -7.4461 -7.4449 -7.4449 -7.4378 -7.4378 -7.4309 -7.4309 -5.2793 -5.2793 -5.2709 -5.2709 -5.2612 -5.2612 -5.2503 -5.2503 -5.2494 -5.2494 -5.2364 -5.2364 -1.8135 -1.8135 -1.1371 -1.1371 -1.0029 -1.0029 -0.4781 -0.4781 0.3538 0.3538 0.4299 0.4299 0.7444 0.7444 0.8059 0.8059 0.9189 0.9189 1.1834 1.1834 1.8272 1.8272 1.8783 1.8783 2.1541 2.1541 2.2299 2.2299 2.5761 2.5761 3.1531 3.1531 3.2179 3.2179 3.4949 3.4949 5.3301 5.3301 6.7560 6.7560 7.6354 7.6354 7.9356 7.9356 8.6621 8.6621 9.0972 9.0972 9.5947 9.5947 k = 0.0000 0.2955-0.0000 ( 11345 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0688 -44.0688 -11.0959 -11.0959 -10.6704 -10.6704 -10.6080 -10.6080 -10.5596 -10.5596 -7.4459 -7.4459 -7.4448 -7.4448 -7.4377 -7.4377 -7.4313 -7.4313 -5.2789 -5.2789 -5.2713 -5.2713 -5.2606 -5.2606 -5.2500 -5.2500 -5.2496 -5.2496 -5.2371 -5.2371 -1.7863 -1.7863 -1.1276 -1.1276 -1.0124 -1.0124 -0.5234 -0.5234 0.3565 0.3565 0.4618 0.4618 0.7366 0.7366 0.7965 0.7965 0.9073 0.9073 1.1942 1.1942 1.8321 1.8321 1.8765 1.8765 2.1856 2.1856 2.2079 2.2079 2.5782 2.5782 3.1483 3.1483 3.2122 3.2122 3.4685 3.4685 5.3120 5.3120 6.8062 6.8062 7.6734 7.6734 7.9009 7.9009 8.6508 8.6508 9.1400 9.1400 9.6027 9.6027 k = 0.0000 0.3182-0.0000 ( 11343 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0688 -44.0688 -11.0916 -11.0916 -10.6756 -10.6756 -10.6058 -10.6058 -10.5619 -10.5619 -7.4458 -7.4458 -7.4447 -7.4447 -7.4375 -7.4375 -7.4317 -7.4317 -5.2785 -5.2785 -5.2715 -5.2715 -5.2601 -5.2601 -5.2504 -5.2504 -5.2491 -5.2491 -5.2377 -5.2377 -1.7588 -1.7588 -1.1183 -1.1183 -1.0212 -1.0212 -0.5671 -0.5671 0.3567 0.3567 0.4929 0.4929 0.7292 0.7292 0.7869 0.7869 0.8989 0.8989 1.2042 1.2042 1.8369 1.8369 1.8748 1.8748 2.1645 2.1645 2.2386 2.2386 2.5795 2.5795 3.1437 3.1437 3.2053 3.2053 3.4437 3.4437 5.2950 5.2950 6.8580 6.8580 7.6984 7.6984 7.8797 7.8797 8.6316 8.6316 9.1851 9.1851 9.6156 9.6156 k = 0.0000 0.3409-0.0000 ( 11355 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0688 -44.0688 -11.0875 -11.0875 -10.6805 -10.6805 -10.6033 -10.6033 -10.5644 -10.5644 -7.4456 -7.4456 -7.4446 -7.4446 -7.4374 -7.4374 -7.4322 -7.4322 -5.2780 -5.2780 -5.2719 -5.2719 -5.2596 -5.2596 -5.2510 -5.2510 -5.2485 -5.2485 -5.2383 -5.2383 -1.7315 -1.7315 -1.1094 -1.1094 -1.0294 -1.0294 -0.6088 -0.6088 0.3549 0.3549 0.5227 0.5227 0.7222 0.7222 0.7778 0.7778 0.8929 0.8929 1.2134 1.2134 1.8416 1.8416 1.8733 1.8733 2.1352 2.1352 2.2774 2.2774 2.5798 2.5798 3.1392 3.1392 3.1968 3.1968 3.4213 3.4213 5.2794 5.2794 6.9108 6.9108 7.6971 7.6971 7.8849 7.8849 8.6050 8.6050 9.2320 9.2320 9.6312 9.6312 k = 0.0000 0.3636-0.0000 ( 11345 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0688 -44.0688 -11.0837 -11.0837 -10.6850 -10.6850 -10.6008 -10.6008 -10.5670 -10.5670 -7.4454 -7.4454 -7.4445 -7.4445 -7.4371 -7.4371 -7.4326 -7.4326 -5.2775 -5.2775 -5.2722 -5.2722 -5.2590 -5.2590 -5.2515 -5.2515 -5.2478 -5.2478 -5.2390 -5.2390 -1.7051 -1.7051 -1.1012 -1.1012 -1.0366 -1.0366 -0.6477 -0.6477 0.3515 0.3515 0.5506 0.5506 0.7159 0.7159 0.7698 0.7698 0.8887 0.8887 1.2217 1.2217 1.8462 1.8462 1.8720 1.8720 2.1069 2.1069 2.3156 2.3156 2.5788 2.5788 3.1350 3.1350 3.1868 3.1868 3.4018 3.4018 5.2654 5.2654 6.9642 6.9642 7.6705 7.6705 7.9156 7.9156 8.5723 8.5723 9.2804 9.2804 9.6468 9.6468 k = 0.0000 0.3864-0.0000 ( 11341 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0688 -44.0688 -11.0803 -11.0803 -10.6891 -10.6891 -10.5982 -10.5982 -10.5697 -10.5697 -7.4453 -7.4453 -7.4445 -7.4445 -7.4369 -7.4369 -7.4330 -7.4330 -5.2771 -5.2771 -5.2726 -5.2726 -5.2583 -5.2583 -5.2521 -5.2521 -5.2471 -5.2471 -5.2397 -5.2397 -1.6804 -1.6804 -1.0937 -1.0937 -1.0429 -1.0429 -0.6829 -0.6829 0.3473 0.3473 0.5757 0.5757 0.7104 0.7104 0.7631 0.7631 0.8858 0.8858 1.2288 1.2288 1.8507 1.8507 1.8709 1.8709 2.0806 2.0806 2.3520 2.3520 2.5763 2.5763 3.1313 3.1313 3.1757 3.1757 3.3858 3.3858 5.2533 5.2533 7.0175 7.0175 7.6310 7.6310 7.9590 7.9590 8.5347 8.5347 9.3299 9.3299 9.6587 9.6587 k = 0.0000 0.4091-0.0000 ( 11335 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0688 -44.0688 -11.0773 -11.0773 -10.6927 -10.6927 -10.5956 -10.5956 -10.5724 -10.5724 -7.4451 -7.4451 -7.4444 -7.4444 -7.4366 -7.4366 -7.4334 -7.4334 -5.2766 -5.2766 -5.2729 -5.2729 -5.2577 -5.2577 -5.2527 -5.2527 -5.2463 -5.2463 -5.2404 -5.2404 -1.6582 -1.6582 -1.0873 -1.0873 -1.0482 -1.0482 -0.7137 -0.7137 0.3427 0.3427 0.5975 0.5975 0.7057 0.7057 0.7576 0.7576 0.8838 0.8838 1.2348 1.2348 1.8548 1.8548 1.8701 1.8701 2.0572 2.0572 2.3859 2.3859 2.5721 2.5721 3.1280 3.1280 3.1643 3.1643 3.3733 3.3733 5.2432 5.2432 7.0700 7.0700 7.5867 7.5867 8.0071 8.0071 8.4938 8.4938 9.3799 9.3799 9.6631 9.6631 k = 0.0000 0.4318-0.0000 ( 11347 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0688 -44.0688 -11.0749 -11.0749 -10.6955 -10.6955 -10.5928 -10.5928 -10.5751 -10.5751 -7.4450 -7.4450 -7.4445 -7.4445 -7.4363 -7.4363 -7.4339 -7.4339 -5.2762 -5.2762 -5.2734 -5.2734 -5.2571 -5.2571 -5.2533 -5.2533 -5.2456 -5.2456 -5.2412 -5.2412 -1.6395 -1.6395 -1.0821 -1.0821 -1.0524 -1.0524 -0.7391 -0.7391 0.3384 0.3384 0.6153 0.6153 0.7021 0.7021 0.7535 0.7535 0.8824 0.8824 1.2396 1.2396 1.8583 1.8583 1.8699 1.8699 2.0376 2.0376 2.4162 2.4162 2.5663 2.5663 3.1253 3.1253 3.1535 3.1535 3.3640 3.3640 5.2351 5.2351 7.1200 7.1200 7.5417 7.5417 8.0555 8.0555 8.4515 8.4515 9.4297 9.4297 9.6571 9.6571 k = 0.0000 0.4545-0.0000 ( 11340 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0688 -44.0688 -11.0731 -11.0731 -10.6977 -10.6977 -10.5901 -10.5901 -10.5779 -10.5779 -7.4449 -7.4449 -7.4445 -7.4445 -7.4359 -7.4359 -7.4343 -7.4343 -5.2757 -5.2757 -5.2737 -5.2737 -5.2565 -5.2565 -5.2539 -5.2539 -5.2449 -5.2449 -5.2419 -5.2419 -1.6252 -1.6252 -1.0782 -1.0782 -1.0555 -1.0555 -0.7581 -0.7581 0.3349 0.3349 0.6285 0.6285 0.6995 0.6995 0.7506 0.7506 0.8815 0.8815 1.2430 1.2430 1.8608 1.8608 1.8703 1.8703 2.0225 2.0225 2.4415 2.4415 2.5593 2.5593 3.1232 3.1232 3.1448 3.1448 3.3578 3.3578 5.2293 5.2293 7.1649 7.1649 7.5000 7.5000 8.1004 8.1004 8.4112 8.4112 9.4780 9.4780 9.6399 9.6399 k = 0.0000 0.4773-0.0000 ( 11346 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0688 -44.0688 -11.0720 -11.0720 -10.6990 -10.6990 -10.5876 -10.5876 -10.5804 -10.5804 -7.4448 -7.4448 -7.4446 -7.4446 -7.4355 -7.4355 -7.4347 -7.4347 -5.2753 -5.2753 -5.2741 -5.2741 -5.2558 -5.2558 -5.2545 -5.2545 -5.2442 -5.2442 -5.2427 -5.2427 -1.6162 -1.6162 -1.0758 -1.0758 -1.0573 -1.0573 -0.7699 -0.7699 0.3327 0.3327 0.6367 0.6367 0.6980 0.6980 0.7488 0.7488 0.8810 0.8810 1.2451 1.2451 1.8620 1.8620 1.8711 1.8711 2.0130 2.0130 2.4595 2.4595 2.5528 2.5528 3.1218 3.1218 3.1392 3.1392 3.3542 3.3542 5.2258 5.2258 7.1988 7.1988 7.4679 7.4679 8.1354 8.1354 8.3790 8.3790 9.5225 9.5225 9.6135 9.6135 k = 0.0000 0.5000-0.0000 ( 11346 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0688 -44.0688 -11.0717 -11.0717 -10.6994 -10.6994 -10.5862 -10.5862 -10.5818 -10.5818 -7.4447 -7.4447 -7.4447 -7.4447 -7.4352 -7.4352 -7.4351 -7.4351 -5.2751 -5.2751 -5.2744 -5.2744 -5.2554 -5.2554 -5.2549 -5.2549 -5.2435 -5.2435 -5.2434 -5.2434 -1.6132 -1.6132 -1.0750 -1.0750 -1.0580 -1.0580 -0.7739 -0.7739 0.3319 0.3319 0.6394 0.6394 0.6975 0.6975 0.7482 0.7482 0.8809 0.8809 1.2458 1.2458 1.8624 1.8624 1.8714 1.8714 2.0097 2.0097 2.4663 2.4663 2.5498 2.5498 3.1213 3.1213 3.1372 3.1372 3.3530 3.3530 5.2247 5.2247 7.2122 7.2122 7.4551 7.4551 8.1496 8.1496 8.3658 8.3658 9.5497 9.5497 9.5922 9.5922 k = 0.0000 0.5000-0.0000 ( 11346 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0688 -44.0688 -11.0717 -11.0717 -10.6994 -10.6994 -10.5862 -10.5862 -10.5818 -10.5818 -7.4447 -7.4447 -7.4447 -7.4447 -7.4352 -7.4352 -7.4351 -7.4351 -5.2751 -5.2751 -5.2744 -5.2744 -5.2554 -5.2554 -5.2549 -5.2549 -5.2435 -5.2435 -5.2434 -5.2434 -1.6132 -1.6132 -1.0750 -1.0750 -1.0580 -1.0580 -0.7739 -0.7739 0.3319 0.3319 0.6394 0.6394 0.6975 0.6975 0.7482 0.7482 0.8809 0.8809 1.2458 1.2458 1.8624 1.8624 1.8714 1.8714 2.0097 2.0097 2.4663 2.4663 2.5498 2.5498 3.1213 3.1213 3.1372 3.1372 3.3530 3.3530 5.2247 5.2247 7.2122 7.2122 7.4551 7.4551 8.1496 8.1496 8.3658 8.3658 9.5497 9.5497 9.5922 9.5922 k = 0.0227 0.5000-0.0000 ( 11342 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0688 -44.0688 -11.0714 -11.0714 -10.6993 -10.6993 -10.5865 -10.5865 -10.5820 -10.5820 -7.4450 -7.4450 -7.4444 -7.4444 -7.4352 -7.4352 -7.4351 -7.4351 -5.2753 -5.2753 -5.2742 -5.2742 -5.2553 -5.2553 -5.2549 -5.2549 -5.2436 -5.2436 -5.2433 -5.2433 -1.6114 -1.6114 -1.0769 -1.0769 -1.0566 -1.0566 -0.7735 -0.7735 0.3336 0.3336 0.6238 0.6238 0.7021 0.7021 0.7535 0.7535 0.8803 0.8803 1.2469 1.2469 1.8639 1.8639 1.8735 1.8735 2.0076 2.0076 2.4666 2.4666 2.5513 2.5513 3.1214 3.1214 3.1367 3.1367 3.3524 3.3524 5.2218 5.2218 7.2107 7.2107 7.4498 7.4498 8.1559 8.1559 8.3707 8.3707 9.5513 9.5513 9.5933 9.5933 k = 0.0455 0.5000-0.0000 ( 11340 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0688 -44.0688 -11.0706 -11.0706 -10.6989 -10.6989 -10.5875 -10.5875 -10.5824 -10.5824 -7.4453 -7.4453 -7.4441 -7.4441 -7.4352 -7.4352 -7.4350 -7.4350 -5.2756 -5.2756 -5.2740 -5.2740 -5.2553 -5.2553 -5.2548 -5.2548 -5.2437 -5.2437 -5.2431 -5.2431 -1.6060 -1.6060 -1.0814 -1.0814 -1.0534 -1.0534 -0.7724 -0.7724 0.3388 0.3388 0.5886 0.5886 0.7073 0.7073 0.7661 0.7661 0.8786 0.8786 1.2502 1.2502 1.8653 1.8653 1.8825 1.8825 2.0012 2.0012 2.4676 2.4676 2.5557 2.5557 3.1215 3.1215 3.1349 3.1349 3.3506 3.3506 5.2133 5.2133 7.2063 7.2063 7.4347 7.4347 8.1742 8.1742 8.3853 8.3853 9.5562 9.5562 9.5966 9.5966 k = 0.0682 0.5000-0.0000 ( 11336 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0688 -44.0688 -11.0693 -11.0693 -10.6982 -10.6982 -10.5891 -10.5891 -10.5830 -10.5830 -7.4456 -7.4456 -7.4438 -7.4438 -7.4352 -7.4352 -7.4349 -7.4349 -5.2761 -5.2761 -5.2739 -5.2739 -5.2551 -5.2551 -5.2546 -5.2546 -5.2438 -5.2438 -5.2430 -5.2430 -1.5970 -1.5970 -1.0872 -1.0872 -1.0496 -1.0496 -0.7705 -0.7705 0.3473 0.3473 0.5441 0.5441 0.7099 0.7099 0.7797 0.7797 0.8759 0.8759 1.2557 1.2557 1.8652 1.8652 1.8996 1.8996 1.9910 1.9910 2.4693 2.4693 2.5626 2.5626 3.1215 3.1215 3.1321 3.1321 3.3476 3.3476 5.1995 5.1995 7.1992 7.1992 7.4113 7.4113 8.2028 8.2028 8.4091 8.4091 9.5643 9.5643 9.6020 9.6020 k = 0.0909 0.5000-0.0000 ( 11338 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0688 -44.0688 -11.0675 -11.0675 -10.6973 -10.6973 -10.5914 -10.5914 -10.5840 -10.5840 -7.4460 -7.4460 -7.4435 -7.4435 -7.4352 -7.4352 -7.4349 -7.4349 -5.2766 -5.2766 -5.2737 -5.2737 -5.2549 -5.2549 -5.2544 -5.2544 -5.2439 -5.2439 -5.2428 -5.2428 -1.5844 -1.5844 -1.0939 -1.0939 -1.0457 -1.0457 -0.7679 -0.7679 0.3589 0.3589 0.4935 0.4935 0.7112 0.7112 0.7906 0.7906 0.8724 0.8724 1.2630 1.2630 1.8644 1.8644 1.9228 1.9228 1.9777 1.9777 2.4717 2.4717 2.5718 2.5718 3.1213 3.1213 3.1284 3.1284 3.3434 3.3434 5.1807 5.1807 7.1897 7.1897 7.3820 7.3820 8.2393 8.2393 8.4413 8.4413 9.5758 9.5758 9.6097 9.6097 k = 0.1136 0.5000-0.0000 ( 11328 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0688 -44.0688 -11.0653 -11.0653 -10.6962 -10.6962 -10.5942 -10.5942 -10.5852 -10.5852 -7.4463 -7.4463 -7.4433 -7.4433 -7.4352 -7.4352 -7.4347 -7.4347 -5.2771 -5.2771 -5.2737 -5.2737 -5.2547 -5.2547 -5.2541 -5.2541 -5.2440 -5.2440 -5.2426 -5.2426 -1.5684 -1.5684 -1.1013 -1.1013 -1.0418 -1.0418 -0.7647 -0.7647 0.3736 0.3736 0.4383 0.4383 0.7118 0.7118 0.7976 0.7976 0.8680 0.8680 1.2719 1.2719 1.8631 1.8631 1.9460 1.9460 1.9670 1.9670 2.4747 2.4747 2.5828 2.5828 3.1194 3.1194 3.1253 3.1253 3.3382 3.3382 5.1575 5.1575 7.1781 7.1781 7.3489 7.3489 8.2816 8.2816 8.4808 8.4808 9.5905 9.5905 9.6197 9.6197 k = 0.1364 0.5000-0.0000 ( 11316 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0688 -44.0688 -11.0625 -11.0625 -10.6948 -10.6948 -10.5975 -10.5975 -10.5866 -10.5866 -7.4466 -7.4466 -7.4431 -7.4431 -7.4352 -7.4352 -7.4346 -7.4346 -5.2777 -5.2777 -5.2736 -5.2736 -5.2544 -5.2544 -5.2538 -5.2538 -5.2440 -5.2440 -5.2425 -5.2425 -1.5489 -1.5489 -1.1091 -1.1091 -1.0380 -1.0380 -0.7608 -0.7608 0.3783 0.3783 0.3921 0.3921 0.7120 0.7120 0.8008 0.8008 0.8627 0.8627 1.2821 1.2821 1.8616 1.8616 1.9364 1.9364 1.9911 1.9911 2.4784 2.4784 2.5951 2.5951 3.1140 3.1140 3.1244 3.1244 3.3320 3.3320 5.1305 5.1305 7.1648 7.1648 7.3136 7.3136 8.3278 8.3278 8.5263 8.5263 9.6085 9.6085 9.6321 9.6321 k = 0.1591 0.5000-0.0000 ( 11306 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0688 -44.0688 -11.0594 -11.0594 -10.6932 -10.6932 -10.6013 -10.6013 -10.5883 -10.5883 -7.4469 -7.4469 -7.4429 -7.4429 -7.4352 -7.4352 -7.4345 -7.4345 -5.2783 -5.2783 -5.2736 -5.2736 -5.2541 -5.2541 -5.2534 -5.2534 -5.2441 -5.2441 -5.2423 -5.2423 -1.5261 -1.5261 -1.1173 -1.1173 -1.0342 -1.0342 -0.7564 -0.7564 0.3172 0.3172 0.4113 0.4113 0.7120 0.7120 0.8009 0.8009 0.8565 0.8565 1.2935 1.2935 1.8598 1.8598 1.9153 1.9153 2.0284 2.0284 2.4828 2.4828 2.6082 2.6082 3.1064 3.1064 3.1243 3.1243 3.3248 3.3248 5.1004 5.1004 7.1500 7.1500 7.2777 7.2777 8.3764 8.3764 8.5764 8.5764 9.6298 9.6298 9.6471 9.6471 k = 0.1818 0.5000-0.0000 ( 11312 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0688 -44.0688 -11.0560 -11.0560 -10.6914 -10.6914 -10.6056 -10.6056 -10.5902 -10.5902 -7.4472 -7.4472 -7.4427 -7.4427 -7.4352 -7.4352 -7.4344 -7.4344 -5.2789 -5.2789 -5.2737 -5.2737 -5.2538 -5.2538 -5.2531 -5.2531 -5.2441 -5.2441 -5.2421 -5.2421 -1.5001 -1.5001 -1.1257 -1.1257 -1.0305 -1.0305 -0.7515 -0.7515 0.2531 0.2531 0.4334 0.4334 0.7118 0.7118 0.7986 0.7986 0.8491 0.8491 1.3055 1.3055 1.8576 1.8576 1.8918 1.8918 2.0694 2.0694 2.4878 2.4878 2.6219 2.6219 3.0973 3.0973 3.1244 3.1244 3.3169 3.3169 5.0679 5.0679 7.1339 7.1339 7.2424 7.2424 8.4262 8.4262 8.6298 8.6298 9.6541 9.6541 9.6650 9.6650 k = 0.2045 0.5000-0.0000 ( 11306 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0688 -44.0688 -11.0522 -11.0522 -10.6894 -10.6894 -10.6102 -10.6102 -10.5923 -10.5923 -7.4475 -7.4475 -7.4425 -7.4425 -7.4351 -7.4351 -7.4342 -7.4342 -5.2795 -5.2795 -5.2738 -5.2738 -5.2535 -5.2535 -5.2527 -5.2527 -5.2442 -5.2442 -5.2420 -5.2420 -1.4709 -1.4709 -1.1342 -1.1342 -1.0268 -1.0268 -0.7462 -0.7462 0.1872 0.1872 0.4573 0.4573 0.7114 0.7114 0.7946 0.7946 0.8406 0.8406 1.3181 1.3181 1.8545 1.8545 1.8677 1.8677 2.1126 2.1126 2.4934 2.4934 2.6357 2.6357 3.0868 3.0868 3.1244 3.1244 3.3083 3.3083 5.0337 5.0337 7.1166 7.1166 7.2089 7.2089 8.4760 8.4760 8.6849 8.6849 9.6793 9.6793 9.6880 9.6880 k = 0.2273 0.5000-0.0000 ( 11324 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0688 -44.0688 -11.0482 -11.0482 -10.6872 -10.6872 -10.6151 -10.6151 -10.5947 -10.5947 -7.4478 -7.4478 -7.4424 -7.4424 -7.4352 -7.4352 -7.4342 -7.4342 -5.2801 -5.2801 -5.2739 -5.2739 -5.2533 -5.2533 -5.2524 -5.2524 -5.2442 -5.2442 -5.2419 -5.2419 -1.4388 -1.4388 -1.1427 -1.1427 -1.0232 -1.0232 -0.7407 -0.7407 0.1200 0.1200 0.4826 0.4826 0.7108 0.7108 0.7897 0.7897 0.8311 0.8311 1.3309 1.3309 1.8387 1.8387 1.8552 1.8552 2.1570 2.1570 2.4998 2.4998 2.6495 2.6495 3.0749 3.0749 3.1242 3.1242 3.2993 3.2993 4.9986 4.9986 7.0981 7.0981 7.1779 7.1779 8.5251 8.5251 8.7402 8.7402 9.7030 9.7030 9.7187 9.7187 k = 0.2500 0.5000-0.0000 ( 11322 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0688 -44.0688 -11.0440 -11.0440 -10.6848 -10.6848 -10.6201 -10.6201 -10.5972 -10.5972 -7.4481 -7.4481 -7.4423 -7.4423 -7.4351 -7.4351 -7.4340 -7.4340 -5.2806 -5.2806 -5.2741 -5.2741 -5.2530 -5.2530 -5.2520 -5.2520 -5.2442 -5.2442 -5.2417 -5.2417 -1.4039 -1.4039 -1.1510 -1.1510 -1.0197 -1.0197 -0.7350 -0.7350 0.0521 0.0521 0.5090 0.5090 0.7100 0.7100 0.7841 0.7841 0.8211 0.8211 1.3436 1.3436 1.8127 1.8127 1.8522 1.8522 2.2019 2.2019 2.5070 2.5070 2.6629 2.6629 3.0614 3.0614 3.1238 3.1238 3.2902 3.2902 4.9634 4.9634 7.0782 7.0782 7.1504 7.1504 8.5726 8.5726 8.7945 8.7945 9.7273 9.7273 9.7548 9.7548 k = 0.2727 0.5000-0.0000 ( 11320 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0688 -44.0688 -11.0397 -11.0397 -10.6823 -10.6823 -10.6253 -10.6253 -10.5998 -10.5998 -7.4484 -7.4484 -7.4422 -7.4422 -7.4351 -7.4351 -7.4339 -7.4339 -5.2812 -5.2812 -5.2742 -5.2742 -5.2527 -5.2527 -5.2517 -5.2517 -5.2442 -5.2442 -5.2416 -5.2416 -1.3665 -1.3665 -1.1589 -1.1589 -1.0164 -1.0164 -0.7292 -0.7292 -0.0161 -0.0161 0.5358 0.5358 0.7090 0.7090 0.7782 0.7782 0.8109 0.8109 1.3560 1.3560 1.7860 1.7860 1.8499 1.8499 2.2461 2.2461 2.5155 2.5155 2.6757 2.6757 3.0463 3.0463 3.1231 3.1231 3.2812 3.2812 4.9288 4.9288 7.0571 7.0571 7.1267 7.1267 8.6179 8.6179 8.8464 8.8464 9.7530 9.7530 9.7953 9.7953 k = 0.2955 0.5000-0.0000 ( 11336 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0688 -44.0688 -11.0353 -11.0353 -10.6797 -10.6797 -10.6304 -10.6304 -10.6026 -10.6026 -7.4487 -7.4487 -7.4421 -7.4421 -7.4351 -7.4351 -7.4338 -7.4338 -5.2817 -5.2817 -5.2744 -5.2744 -5.2525 -5.2525 -5.2514 -5.2514 -5.2442 -5.2442 -5.2415 -5.2415 -1.3269 -1.3269 -1.1662 -1.1662 -1.0132 -1.0132 -0.7236 -0.7236 -0.0842 -0.0842 0.5628 0.5628 0.7078 0.7078 0.7719 0.7719 0.8010 0.8010 1.3680 1.3680 1.7596 1.7596 1.8477 1.8477 2.2887 2.2887 2.5256 2.5256 2.6878 2.6878 3.0294 3.0294 3.1220 3.1220 3.2724 3.2724 4.8954 4.8954 7.0354 7.0354 7.1067 7.1067 8.6603 8.6603 8.8949 8.8949 9.7799 9.7799 9.8399 9.8399 k = 0.3182 0.5000-0.0000 ( 11340 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0688 -44.0688 -11.0311 -11.0311 -10.6771 -10.6771 -10.6353 -10.6353 -10.6054 -10.6054 -7.4489 -7.4489 -7.4421 -7.4421 -7.4351 -7.4351 -7.4337 -7.4337 -5.2821 -5.2821 -5.2745 -5.2745 -5.2522 -5.2522 -5.2512 -5.2512 -5.2441 -5.2441 -5.2414 -5.2414 -1.2858 -1.2858 -1.1726 -1.1726 -1.0101 -1.0101 -0.7183 -0.7183 -0.1516 -0.1516 0.5892 0.5892 0.7063 0.7063 0.7652 0.7652 0.7922 0.7922 1.3793 1.3793 1.7338 1.7338 1.8456 1.8456 2.3284 2.3284 2.5383 2.5383 2.6990 2.6990 3.0107 3.0107 3.1207 3.1207 3.2643 3.2643 4.8638 4.8638 7.0141 7.0141 7.0899 7.0899 8.6994 8.6994 8.9391 8.9391 9.8073 9.8073 9.8882 9.8882 k = 0.3409 0.5000-0.0000 ( 11356 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0688 -44.0688 -11.0270 -11.0270 -10.6745 -10.6745 -10.6400 -10.6400 -10.6083 -10.6083 -7.4492 -7.4492 -7.4420 -7.4420 -7.4351 -7.4351 -7.4337 -7.4337 -5.2826 -5.2826 -5.2747 -5.2747 -5.2520 -5.2520 -5.2510 -5.2510 -5.2441 -5.2441 -5.2413 -5.2413 -1.2444 -1.2444 -1.1771 -1.1771 -1.0074 -1.0074 -0.7133 -0.7133 -0.2176 -0.2176 0.6146 0.6146 0.7047 0.7047 0.7580 0.7580 0.7849 0.7849 1.3897 1.3897 1.7091 1.7091 1.8436 1.8436 2.3636 2.3636 2.5545 2.5545 2.7093 2.7093 2.9900 2.9900 3.1190 3.1190 3.2569 3.2569 4.8345 4.8345 6.9939 6.9939 7.0756 7.0756 8.7347 8.7347 8.9783 8.9783 9.8345 9.8345 9.9392 9.9392 k = 0.3636 0.5000-0.0000 ( 11354 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0688 -44.0688 -11.0232 -11.0232 -10.6720 -10.6720 -10.6443 -10.6443 -10.6112 -10.6112 -7.4494 -7.4494 -7.4420 -7.4420 -7.4351 -7.4351 -7.4336 -7.4336 -5.2830 -5.2830 -5.2748 -5.2748 -5.2518 -5.2518 -5.2508 -5.2508 -5.2440 -5.2440 -5.2412 -5.2412 -1.2096 -1.2096 -1.1733 -1.1733 -1.0049 -1.0049 -0.7091 -0.7091 -0.2815 -0.2815 0.6381 0.6381 0.7031 0.7031 0.7507 0.7507 0.7793 0.7793 1.3990 1.3990 1.6862 1.6862 1.8418 1.8418 2.3929 2.3929 2.5751 2.5751 2.7184 2.7184 2.9674 2.9674 3.1172 3.1172 3.2506 3.2506 4.8081 4.8081 6.9756 6.9756 7.0636 7.0636 8.7658 8.7658 9.0122 9.0122 9.8607 9.8607 9.9916 9.9916 k = 0.3864 0.5000-0.0000 ( 11350 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0688 -44.0688 -11.0198 -11.0198 -10.6697 -10.6697 -10.6479 -10.6479 -10.6140 -10.6140 -7.4495 -7.4495 -7.4420 -7.4420 -7.4351 -7.4351 -7.4334 -7.4334 -5.2833 -5.2833 -5.2749 -5.2749 -5.2516 -5.2516 -5.2506 -5.2506 -5.2439 -5.2439 -5.2411 -5.2411 -1.1998 -1.1998 -1.1434 -1.1434 -1.0027 -1.0027 -0.7057 -0.7057 -0.3423 -0.3423 0.6591 0.6591 0.7016 0.7016 0.7440 0.7440 0.7752 0.7752 1.4072 1.4072 1.6654 1.6654 1.8403 1.8403 2.4157 2.4157 2.6006 2.6006 2.7265 2.7265 2.9428 2.9428 3.1153 3.1153 3.2452 3.2452 4.7850 4.7850 6.9596 6.9596 7.0536 7.0536 8.7926 8.7926 9.0407 9.0407 9.8850 9.8850 10.0430 10.0430 k = 0.4091 0.5000-0.0000 ( 11344 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0688 -44.0688 -11.0168 -11.0168 -10.6678 -10.6678 -10.6507 -10.6507 -10.6166 -10.6166 -7.4496 -7.4496 -7.4419 -7.4419 -7.4350 -7.4350 -7.4334 -7.4334 -5.2835 -5.2835 -5.2750 -5.2750 -5.2515 -5.2515 -5.2505 -5.2505 -5.2438 -5.2438 -5.2411 -5.2411 -1.2012 -1.2012 -1.1029 -1.1029 -1.0008 -1.0008 -0.7036 -0.7036 -0.3983 -0.3983 0.6766 0.6766 0.7002 0.7002 0.7385 0.7385 0.7722 0.7722 1.4141 1.4141 1.6473 1.6473 1.8390 1.8390 2.4321 2.4321 2.6299 2.6299 2.7334 2.7334 2.9165 2.9165 3.1134 3.1134 3.2409 3.2409 4.7656 4.7656 6.9463 6.9463 7.0455 7.0455 8.8146 8.8146 9.0637 9.0637 9.9064 9.9064 10.0903 10.0903 k = 0.4318 0.5000-0.0000 ( 11346 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0688 -44.0688 -11.0144 -11.0144 -10.6666 -10.6666 -10.6525 -10.6525 -10.6189 -10.6189 -7.4498 -7.4498 -7.4419 -7.4419 -7.4350 -7.4350 -7.4333 -7.4333 -5.2838 -5.2838 -5.2751 -5.2751 -5.2513 -5.2513 -5.2504 -5.2504 -5.2437 -5.2437 -5.2410 -5.2410 -1.2036 -1.2036 -1.0634 -1.0634 -0.9994 -0.9994 -0.7028 -0.7028 -0.4474 -0.4474 0.6893 0.6893 0.6993 0.6993 0.7353 0.7353 0.7701 0.7701 1.4196 1.4196 1.6326 1.6326 1.8379 1.8379 2.4433 2.4433 2.6611 2.6611 2.7394 2.7394 2.8887 2.8887 3.1118 3.1118 3.2377 3.2377 4.7502 4.7502 6.9357 6.9357 7.0392 7.0392 8.8320 8.8320 9.0813 9.0813 9.9242 9.9242 10.1299 10.1299 k = 0.4545 0.5000-0.0000 ( 11344 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0688 -44.0688 -11.0126 -11.0126 -10.6660 -10.6660 -10.6534 -10.6534 -10.6208 -10.6208 -7.4498 -7.4498 -7.4418 -7.4418 -7.4350 -7.4350 -7.4333 -7.4333 -5.2839 -5.2839 -5.2751 -5.2751 -5.2513 -5.2513 -5.2503 -5.2503 -5.2437 -5.2437 -5.2410 -5.2410 -1.2056 -1.2056 -1.0296 -1.0296 -0.9983 -0.9983 -0.7035 -0.7035 -0.4865 -0.4865 0.6955 0.6955 0.7001 0.7001 0.7347 0.7347 0.7687 0.7687 1.4236 1.4236 1.6216 1.6216 1.8372 1.8372 2.4505 2.4505 2.6911 2.6911 2.7453 2.7453 2.8606 2.8606 3.1105 3.1105 3.2354 3.2354 4.7390 4.7390 6.9281 6.9281 7.0347 7.0347 8.8444 8.8444 9.0938 9.0938 9.9375 9.9375 10.1587 10.1587 k = 0.4773 0.5000-0.0000 ( 11338 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0688 -44.0688 -11.0115 -11.0115 -10.6659 -10.6659 -10.6536 -10.6536 -10.6220 -10.6220 -7.4499 -7.4499 -7.4418 -7.4418 -7.4350 -7.4350 -7.4332 -7.4332 -5.2840 -5.2840 -5.2751 -5.2751 -5.2512 -5.2512 -5.2503 -5.2503 -5.2436 -5.2436 -5.2409 -5.2409 -1.2069 -1.2069 -1.0062 -1.0062 -0.9976 -0.9976 -0.7051 -0.7051 -0.5121 -0.5121 0.6962 0.6962 0.7022 0.7022 0.7358 0.7358 0.7679 0.7679 1.4260 1.4260 1.6148 1.6148 1.8367 1.8367 2.4545 2.4545 2.7139 2.7139 2.7532 2.7532 2.8350 2.8350 3.1097 3.1097 3.2340 3.2340 4.7322 4.7322 6.9235 6.9235 7.0320 7.0320 8.8519 8.8519 9.1012 9.1012 9.9457 9.9457 10.1755 10.1755 k = 0.5000 0.5000-0.0000 ( 11344 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0688 -44.0688 -11.0111 -11.0111 -10.6659 -10.6659 -10.6536 -10.6536 -10.6224 -10.6224 -7.4499 -7.4499 -7.4418 -7.4418 -7.4350 -7.4350 -7.4333 -7.4333 -5.2840 -5.2840 -5.2751 -5.2751 -5.2512 -5.2512 -5.2503 -5.2503 -5.2437 -5.2437 -5.2409 -5.2409 -1.2074 -1.2074 -0.9985 -0.9985 -0.9965 -0.9965 -0.7059 -0.7059 -0.5210 -0.5210 0.6962 0.6962 0.7029 0.7029 0.7364 0.7364 0.7677 0.7677 1.4268 1.4268 1.6125 1.6125 1.8365 1.8365 2.4557 2.4557 2.7219 2.7219 2.7598 2.7598 2.8223 2.8223 3.1094 3.1094 3.2336 3.2336 4.7299 4.7299 6.9220 6.9220 7.0311 7.0311 8.8544 8.8544 9.1037 9.1037 9.9485 9.9485 10.1810 10.1810 k = 0.5000 0.5000-0.0000 ( 11344 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0688 -44.0688 -11.0111 -11.0111 -10.6659 -10.6659 -10.6536 -10.6536 -10.6224 -10.6224 -7.4499 -7.4499 -7.4418 -7.4418 -7.4350 -7.4350 -7.4333 -7.4333 -5.2840 -5.2840 -5.2751 -5.2751 -5.2512 -5.2512 -5.2503 -5.2503 -5.2437 -5.2437 -5.2409 -5.2409 -1.2074 -1.2074 -0.9985 -0.9985 -0.9965 -0.9965 -0.7059 -0.7059 -0.5210 -0.5210 0.6962 0.6962 0.7029 0.7029 0.7364 0.7364 0.7677 0.7677 1.4268 1.4268 1.6125 1.6125 1.8365 1.8365 2.4557 2.4557 2.7219 2.7219 2.7598 2.7598 2.8223 2.8223 3.1094 3.1094 3.2336 3.2336 4.7299 4.7299 6.9220 6.9220 7.0311 7.0311 8.8544 8.8544 9.1037 9.1037 9.9485 9.9485 10.1810 10.1810 k = 0.4844 0.4844-0.0000 ( 11336 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0688 -44.0688 -11.0114 -11.0114 -10.6659 -10.6659 -10.6536 -10.6536 -10.6220 -10.6220 -7.4499 -7.4499 -7.4418 -7.4418 -7.4350 -7.4350 -7.4332 -7.4332 -5.2840 -5.2840 -5.2751 -5.2751 -5.2512 -5.2512 -5.2503 -5.2503 -5.2436 -5.2436 -5.2409 -5.2409 -1.2069 -1.2069 -1.0057 -1.0057 -0.9976 -0.9976 -0.7050 -0.7050 -0.5126 -0.5126 0.6962 0.6962 0.7023 0.7023 0.7357 0.7357 0.7679 0.7679 1.4261 1.4261 1.6147 1.6147 1.8367 1.8367 2.4546 2.4546 2.7145 2.7145 2.7532 2.7532 2.8346 2.8346 3.1097 3.1097 3.2340 3.2340 4.7321 4.7321 6.9234 6.9234 7.0320 7.0320 8.8520 8.8520 9.1014 9.1014 9.9458 9.9458 10.1760 10.1760 k = 0.4688 0.4687-0.0000 ( 11338 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0688 -44.0688 -11.0125 -11.0125 -10.6658 -10.6658 -10.6536 -10.6536 -10.6208 -10.6208 -7.4498 -7.4498 -7.4418 -7.4418 -7.4350 -7.4350 -7.4333 -7.4333 -5.2839 -5.2839 -5.2751 -5.2751 -5.2512 -5.2512 -5.2503 -5.2503 -5.2437 -5.2437 -5.2409 -5.2409 -1.2057 -1.2057 -1.0281 -1.0281 -0.9987 -0.9987 -0.7024 -0.7024 -0.4891 -0.4891 0.6961 0.6961 0.7009 0.7009 0.7336 0.7336 0.7686 0.7686 1.4238 1.4238 1.6211 1.6211 1.8371 1.8371 2.4509 2.4509 2.6936 2.6936 2.7436 2.7436 2.8602 2.8602 3.1105 3.1105 3.2353 3.2353 4.7385 4.7385 6.9273 6.9273 7.0350 7.0350 8.8445 8.8445 9.0949 9.0949 9.9370 9.9370 10.1627 10.1627 k = 0.4531 0.4531-0.0000 ( 11352 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0688 -44.0688 -11.0142 -11.0142 -10.6657 -10.6657 -10.6536 -10.6536 -10.6189 -10.6189 -7.4498 -7.4498 -7.4419 -7.4419 -7.4351 -7.4351 -7.4333 -7.4333 -5.2838 -5.2838 -5.2751 -5.2751 -5.2514 -5.2514 -5.2504 -5.2504 -5.2438 -5.2438 -5.2410 -5.2410 -1.2038 -1.2038 -1.0614 -1.0614 -1.0003 -1.0003 -0.6979 -0.6979 -0.4541 -0.4541 0.6943 0.6943 0.7001 0.7001 0.7303 0.7303 0.7698 0.7698 1.4200 1.4200 1.6318 1.6318 1.8379 1.8379 2.4447 2.4447 2.6654 2.6654 2.7345 2.7345 2.8896 2.8896 3.1117 3.1117 3.2374 3.2374 4.7490 4.7490 6.9324 6.9324 7.0412 7.0412 8.8308 8.8308 9.0853 9.0853 9.9203 9.9203 10.1455 10.1455 k = 0.4375 0.4375-0.0000 ( 11340 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0688 -44.0688 -11.0166 -11.0166 -10.6654 -10.6654 -10.6535 -10.6535 -10.6165 -10.6165 -7.4496 -7.4496 -7.4419 -7.4419 -7.4351 -7.4351 -7.4333 -7.4333 -5.2836 -5.2836 -5.2750 -5.2750 -5.2515 -5.2515 -5.2504 -5.2504 -5.2438 -5.2438 -5.2410 -5.2410 -1.2014 -1.2014 -1.1015 -1.1015 -1.0026 -1.0026 -0.6916 -0.6916 -0.4113 -0.4113 0.6903 0.6903 0.7007 0.7007 0.7258 0.7258 0.7714 0.7714 1.4147 1.4147 1.6463 1.6463 1.8389 1.8389 2.4358 2.4358 2.6343 2.6343 2.7247 2.7247 2.9200 2.9200 3.1134 3.1134 3.2405 3.2405 4.7636 4.7636 6.9369 6.9369 7.0524 7.0524 8.8097 8.8097 9.0742 9.0742 9.8938 9.8938 10.1292 10.1292 k = 0.4219 0.4219-0.0000 ( 11348 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0688 -44.0688 -11.0196 -11.0196 -10.6651 -10.6651 -10.6532 -10.6532 -10.6135 -10.6135 -7.4496 -7.4496 -7.4419 -7.4419 -7.4351 -7.4351 -7.4334 -7.4334 -5.2833 -5.2833 -5.2749 -5.2749 -5.2517 -5.2517 -5.2505 -5.2505 -5.2439 -5.2439 -5.2410 -5.2410 -1.2002 -1.2002 -1.1440 -1.1440 -1.0057 -1.0057 -0.6835 -0.6835 -0.3637 -0.3637 0.6848 0.6848 0.7020 0.7020 0.7204 0.7204 0.7734 0.7734 1.4081 1.4081 1.6645 1.6645 1.8402 1.8402 2.4239 2.4239 2.6020 2.6020 2.7138 2.7138 2.9505 2.9505 3.1155 3.1155 3.2446 3.2446 4.7820 4.7820 6.9391 6.9391 7.0700 7.0700 8.7796 8.7796 9.0633 9.0633 9.8568 9.8568 10.1171 10.1171 k = 0.4062 0.4062-0.0000 ( 11342 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0688 -44.0688 -11.0231 -11.0231 -10.6647 -10.6647 -10.6527 -10.6527 -10.6101 -10.6101 -7.4494 -7.4494 -7.4420 -7.4420 -7.4352 -7.4352 -7.4334 -7.4334 -5.2831 -5.2831 -5.2748 -5.2748 -5.2520 -5.2520 -5.2505 -5.2505 -5.2441 -5.2441 -5.2410 -5.2410 -1.2123 -1.2123 -1.1749 -1.1749 -1.0096 -1.0096 -0.6735 -0.6735 -0.3133 -0.3133 0.6784 0.6784 0.7036 0.7036 0.7144 0.7144 0.7759 0.7759 1.4001 1.4001 1.6860 1.6860 1.8417 1.8417 2.4087 2.4087 2.5693 2.5693 2.7023 2.7023 2.9805 2.9805 3.1179 3.1179 3.2499 3.2499 4.8038 4.8038 6.9379 6.9379 7.0948 7.0948 8.7398 8.7398 9.0539 9.0539 9.8111 9.8111 10.1078 10.1078 k = 0.3906 0.3906-0.0000 ( 11346 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0688 -44.0688 -11.0272 -11.0272 -10.6642 -10.6642 -10.6520 -10.6520 -10.6064 -10.6064 -7.4492 -7.4492 -7.4420 -7.4420 -7.4353 -7.4353 -7.4333 -7.4333 -5.2828 -5.2828 -5.2746 -5.2746 -5.2524 -5.2524 -5.2506 -5.2506 -5.2443 -5.2443 -5.2409 -5.2409 -1.2531 -1.2531 -1.1775 -1.1775 -1.0142 -1.0142 -0.6617 -0.6617 -0.2616 -0.2616 0.6714 0.6714 0.7039 0.7039 0.7096 0.7096 0.7788 0.7788 1.3908 1.3908 1.7105 1.7105 1.8435 1.8435 2.3901 2.3901 2.5365 2.5365 2.6904 2.6904 3.0096 3.0096 3.1206 3.1206 3.2564 3.2564 4.8289 4.8289 6.9334 6.9334 7.1264 7.1264 8.6901 8.6901 9.0465 9.0465 9.7593 9.7593 10.0916 10.0916 k = 0.3750 0.3750-0.0000 ( 11348 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0688 -44.0688 -11.0317 -11.0317 -10.6635 -10.6635 -10.6512 -10.6512 -10.6025 -10.6025 -7.4491 -7.4491 -7.4421 -7.4421 -7.4355 -7.4355 -7.4333 -7.4333 -5.2825 -5.2825 -5.2745 -5.2745 -5.2528 -5.2528 -5.2506 -5.2506 -5.2445 -5.2445 -5.2408 -5.2408 -1.3012 -1.3012 -1.1723 -1.1723 -1.0197 -1.0197 -0.6481 -0.6481 -0.2099 -0.2099 0.6641 0.6641 0.6987 0.6987 0.7102 0.7102 0.7821 0.7821 1.3803 1.3803 1.7375 1.7375 1.8455 1.8455 2.3681 2.3681 2.5039 2.5039 2.6786 2.6786 3.0374 3.0374 3.1235 3.1235 3.2645 3.2645 4.8568 4.8568 6.9260 6.9260 7.1641 7.1641 8.6315 8.6315 9.0409 9.0409 9.7040 9.7040 10.0549 10.0549 k = 0.3594 0.3594-0.0000 ( 11344 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0688 -44.0688 -11.0367 -11.0367 -10.6626 -10.6626 -10.6501 -10.6501 -10.5985 -10.5985 -7.4489 -7.4489 -7.4421 -7.4421 -7.4357 -7.4357 -7.4332 -7.4332 -5.2821 -5.2821 -5.2743 -5.2743 -5.2533 -5.2533 -5.2506 -5.2506 -5.2448 -5.2448 -5.2406 -5.2406 -1.3504 -1.3504 -1.1649 -1.1649 -1.0260 -1.0260 -0.6327 -0.6327 -0.1588 -0.1588 0.6565 0.6565 0.6919 0.6919 0.7128 0.7128 0.7859 0.7859 1.3687 1.3687 1.7667 1.7667 1.8478 1.8478 2.3429 2.3429 2.4716 2.4716 2.6674 2.6674 3.0636 3.0636 3.1265 3.1265 3.2744 3.2744 4.8873 4.8873 6.9161 6.9161 7.2070 7.2070 8.5653 8.5653 9.0364 9.0364 9.6471 9.6471 10.0045 10.0045 k = 0.3438 0.3437-0.0000 ( 11338 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0688 -44.0688 -11.0419 -11.0419 -10.6616 -10.6616 -10.6489 -10.6489 -10.5944 -10.5944 -7.4487 -7.4487 -7.4422 -7.4422 -7.4359 -7.4359 -7.4330 -7.4330 -5.2818 -5.2818 -5.2741 -5.2741 -5.2539 -5.2539 -5.2506 -5.2506 -5.2451 -5.2451 -5.2404 -5.2404 -1.3993 -1.3993 -1.1563 -1.1563 -1.0329 -1.0329 -0.6156 -0.6156 -0.1094 -0.1094 0.6487 0.6487 0.6855 0.6855 0.7160 0.7160 0.7902 0.7902 1.3562 1.3562 1.7974 1.7974 1.8504 1.8504 2.3146 2.3146 2.4396 2.4396 2.6569 2.6569 3.0878 3.0878 3.1297 3.1297 3.2864 3.2864 4.9198 4.9198 6.9040 6.9040 7.2544 7.2544 8.4930 8.4930 9.0323 9.0323 9.5896 9.5896 9.9491 9.9491 k = 0.3281 0.3281-0.0000 ( 11336 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0688 -44.0688 -11.0474 -11.0474 -10.6603 -10.6603 -10.6476 -10.6476 -10.5903 -10.5903 -7.4485 -7.4485 -7.4423 -7.4423 -7.4361 -7.4361 -7.4328 -7.4328 -5.2815 -5.2815 -5.2738 -5.2738 -5.2545 -5.2545 -5.2506 -5.2506 -5.2455 -5.2455 -5.2401 -5.2401 -1.4475 -1.4475 -1.1468 -1.1468 -1.0404 -1.0404 -0.5968 -0.5968 -0.0623 -0.0623 0.6402 0.6402 0.6808 0.6808 0.7195 0.7195 0.7949 0.7949 1.3427 1.3427 1.8287 1.8287 1.8538 1.8538 2.2839 2.2839 2.4080 2.4080 2.6471 2.6471 3.1096 3.1096 3.1330 3.1330 3.3007 3.3007 4.9542 4.9542 6.8898 6.8898 7.3057 7.3057 8.4161 8.4161 9.0275 9.0275 9.5325 9.5325 9.8925 9.8925 k = 0.3125 0.3125-0.0000 ( 11320 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0688 -44.0688 -11.0531 -11.0531 -10.6589 -10.6589 -10.6461 -10.6461 -10.5862 -10.5862 -7.4483 -7.4483 -7.4424 -7.4424 -7.4363 -7.4363 -7.4326 -7.4326 -5.2812 -5.2812 -5.2735 -5.2735 -5.2551 -5.2551 -5.2505 -5.2505 -5.2458 -5.2458 -5.2397 -5.2397 -1.4945 -1.4945 -1.1366 -1.1366 -1.0482 -1.0482 -0.5765 -0.5765 -0.0183 -0.0183 0.6304 0.6304 0.6787 0.6787 0.7233 0.7233 0.8002 0.8002 1.3285 1.3285 1.8515 1.8515 1.8665 1.8665 2.2513 2.2513 2.3771 2.3771 2.6382 2.6382 3.1288 3.1288 3.1364 3.1364 3.3176 3.3176 4.9899 4.9899 6.8736 6.8736 7.3600 7.3600 8.3360 8.3360 9.0212 9.0212 9.4762 9.4762 9.8369 9.8369 k = 0.2969 0.2969-0.0000 ( 11327 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0688 -44.0688 -11.0590 -11.0590 -10.6574 -10.6574 -10.6445 -10.6445 -10.5822 -10.5822 -7.4481 -7.4481 -7.4425 -7.4425 -7.4366 -7.4366 -7.4324 -7.4324 -5.2809 -5.2809 -5.2732 -5.2732 -5.2559 -5.2559 -5.2505 -5.2505 -5.2463 -5.2463 -5.2393 -5.2393 -1.5401 -1.5401 -1.1263 -1.1263 -1.0560 -1.0560 -0.5548 -0.5548 0.0219 0.0219 0.6191 0.6191 0.6800 0.6800 0.7274 0.7274 0.8060 0.8060 1.3136 1.3136 1.8564 1.8564 1.8971 1.8971 2.2176 2.2176 2.3470 2.3470 2.6299 2.6299 3.1397 3.1397 3.1457 3.1457 3.3368 3.3368 5.0266 5.0266 6.8556 6.8556 7.4169 7.4169 8.2541 8.2541 9.0125 9.0125 9.4211 9.4211 9.7842 9.7842 k = 0.2812 0.2812-0.0000 ( 11323 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0688 -44.0688 -11.0649 -11.0649 -10.6557 -10.6557 -10.6428 -10.6428 -10.5783 -10.5783 -7.4479 -7.4479 -7.4427 -7.4427 -7.4368 -7.4368 -7.4322 -7.4322 -5.2807 -5.2807 -5.2729 -5.2729 -5.2566 -5.2566 -5.2505 -5.2505 -5.2467 -5.2467 -5.2388 -5.2388 -1.5842 -1.5842 -1.1166 -1.1166 -1.0628 -1.0628 -0.5317 -0.5317 0.0578 0.0578 0.6061 0.6061 0.6853 0.6853 0.7317 0.7317 0.8125 0.8125 1.2981 1.2981 1.8596 1.8596 1.9284 1.9284 2.1835 2.1835 2.3183 2.3183 2.6223 2.6223 3.1432 3.1432 3.1599 3.1599 3.3583 3.3583 5.0639 5.0639 6.8358 6.8358 7.4757 7.4757 8.1718 8.1718 9.0003 9.0003 9.3674 9.3674 9.7358 9.7358 k = 0.2656 0.2656-0.0000 ( 11337 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0688 -44.0688 -11.0709 -11.0709 -10.6539 -10.6539 -10.6411 -10.6411 -10.5745 -10.5745 -7.4477 -7.4477 -7.4429 -7.4429 -7.4371 -7.4371 -7.4320 -7.4320 -5.2806 -5.2806 -5.2726 -5.2726 -5.2573 -5.2573 -5.2505 -5.2505 -5.2471 -5.2471 -5.2384 -5.2384 -1.6265 -1.6265 -1.1097 -1.1097 -1.0666 -1.0666 -0.5073 -0.5073 0.0889 0.0889 0.5915 0.5915 0.6946 0.6946 0.7363 0.7363 0.8199 0.8199 1.2822 1.2822 1.8625 1.8625 1.9574 1.9574 2.1501 2.1501 2.2918 2.2918 2.6151 2.6151 3.1465 3.1465 3.1721 3.1721 3.3815 3.3815 5.1014 5.1014 6.8142 6.8142 7.5355 7.5355 8.0902 8.0902 8.9840 8.9840 9.3153 9.3153 9.6934 9.6934 k = 0.2500 0.2500-0.0000 ( 11333 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0688 -44.0688 -11.0768 -11.0768 -10.6520 -10.6520 -10.6393 -10.6393 -10.5709 -10.5709 -7.4476 -7.4476 -7.4431 -7.4431 -7.4373 -7.4373 -7.4317 -7.4317 -5.2805 -5.2805 -5.2723 -5.2723 -5.2581 -5.2581 -5.2504 -5.2504 -5.2475 -5.2475 -5.2379 -5.2379 -1.6670 -1.6670 -1.1085 -1.1085 -1.0643 -1.0643 -0.4817 -0.4817 0.1150 0.1150 0.5752 0.5752 0.7076 0.7076 0.7412 0.7412 0.8283 0.8283 1.2660 1.2660 1.8654 1.8654 1.9811 1.9811 2.1189 2.1189 2.2689 2.2689 2.6084 2.6084 3.1499 3.1499 3.1824 3.1824 3.4062 3.4062 5.1389 5.1389 6.7907 6.7907 7.5953 7.5953 8.0109 8.0109 8.9629 8.9629 9.2650 9.2650 9.6580 9.6580 k = 0.2344 0.2344-0.0000 ( 11321 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0688 -44.0688 -11.0826 -11.0826 -10.6501 -10.6501 -10.6375 -10.6375 -10.5675 -10.5675 -7.4474 -7.4474 -7.4433 -7.4433 -7.4374 -7.4374 -7.4314 -7.4314 -5.2804 -5.2804 -5.2719 -5.2719 -5.2588 -5.2588 -5.2504 -5.2504 -5.2478 -5.2478 -5.2375 -5.2375 -1.7055 -1.7055 -1.1132 -1.1132 -1.0558 -1.0558 -0.4549 -0.4549 0.1362 0.1362 0.5574 0.5574 0.7235 0.7235 0.7463 0.7463 0.8383 0.8383 1.2496 1.2496 1.8682 1.8682 1.9945 1.9945 2.0928 2.0928 2.2519 2.2519 2.6020 2.6020 3.1533 3.1533 3.1914 3.1914 3.4319 3.4319 5.1760 5.1760 6.7656 6.7656 7.6532 7.6532 7.9361 7.9361 8.9369 8.9369 9.2166 9.2166 9.6305 9.6305 k = 0.2188 0.2187-0.0000 ( 11323 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0688 -44.0688 -11.0883 -11.0883 -10.6481 -10.6481 -10.6357 -10.6357 -10.5642 -10.5642 -7.4473 -7.4473 -7.4436 -7.4436 -7.4376 -7.4376 -7.4311 -7.4311 -5.2804 -5.2804 -5.2715 -5.2715 -5.2596 -5.2596 -5.2505 -5.2505 -5.2480 -5.2480 -5.2369 -5.2369 -1.7418 -1.7418 -1.1210 -1.1210 -1.0441 -1.0441 -0.4271 -0.4271 0.1526 0.1526 0.5379 0.5379 0.7410 0.7410 0.7519 0.7519 0.8505 0.8505 1.2331 1.2331 1.8710 1.8710 1.9919 1.9919 2.0746 2.0746 2.2439 2.2439 2.5958 2.5958 3.1565 3.1565 3.1992 3.1992 3.4581 3.4581 5.2123 5.2123 6.7387 6.7387 7.7035 7.7035 7.8718 7.8718 8.9063 8.9063 9.1704 9.1704 9.6110 9.6110 k = 0.2031 0.2031-0.0000 ( 11335 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0688 -44.0688 -11.0938 -11.0938 -10.6461 -10.6461 -10.6338 -10.6338 -10.5612 -10.5612 -7.4472 -7.4472 -7.4439 -7.4439 -7.4377 -7.4377 -7.4308 -7.4308 -5.2804 -5.2804 -5.2713 -5.2713 -5.2603 -5.2603 -5.2507 -5.2507 -5.2481 -5.2481 -5.2365 -5.2365 -1.7760 -1.7760 -1.1300 -1.1300 -1.0309 -1.0309 -0.3983 -0.3983 0.1649 0.1649 0.5168 0.5168 0.7546 0.7546 0.7619 0.7619 0.8656 0.8656 1.2166 1.2166 1.8737 1.8737 1.9746 1.9746 2.0610 2.0610 2.2471 2.2471 2.5898 2.5898 3.1596 3.1596 3.2060 3.2060 3.4845 3.4845 5.2475 5.2475 6.7103 6.7103 7.7212 7.7212 7.8430 7.8430 8.8717 8.8717 9.1265 9.1265 9.5993 9.5993 k = 0.1875 0.1875-0.0000 ( 11333 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0688 -44.0688 -11.0990 -11.0990 -10.6441 -10.6441 -10.6320 -10.6320 -10.5585 -10.5585 -7.4472 -7.4472 -7.4441 -7.4441 -7.4378 -7.4378 -7.4305 -7.4305 -5.2806 -5.2806 -5.2709 -5.2709 -5.2609 -5.2609 -5.2510 -5.2510 -5.2481 -5.2481 -5.2360 -5.2360 -1.8080 -1.8080 -1.1394 -1.1394 -1.0171 -1.0171 -0.3686 -0.3686 0.1737 0.1737 0.4941 0.4941 0.7611 0.7611 0.7780 0.7780 0.8845 0.8845 1.2004 1.2004 1.8762 1.8762 1.9503 1.9503 2.0454 2.0454 2.2604 2.2604 2.5841 2.5841 3.1626 3.1626 3.2120 3.2120 3.5109 3.5109 5.2814 5.2814 6.6805 6.6805 7.6837 7.6837 7.8725 7.8725 8.8341 8.8341 9.0850 9.0850 9.5946 9.5946 k = 0.1719 0.1719-0.0000 ( 11327 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0688 -44.0688 -11.1040 -11.1040 -10.6421 -10.6421 -10.6302 -10.6302 -10.5559 -10.5559 -7.4471 -7.4471 -7.4444 -7.4444 -7.4379 -7.4379 -7.4302 -7.4302 -5.2807 -5.2807 -5.2706 -5.2706 -5.2615 -5.2615 -5.2514 -5.2514 -5.2480 -5.2480 -5.2355 -5.2355 -1.8376 -1.8376 -1.1488 -1.1488 -1.0034 -1.0034 -0.3379 -0.3379 0.1796 0.1796 0.4696 0.4696 0.7667 0.7667 0.7926 0.7926 0.9074 0.9074 1.1844 1.1844 1.8786 1.8786 1.9242 1.9242 2.0261 2.0261 2.2804 2.2804 2.5786 2.5786 3.1655 3.1655 3.2174 3.2174 3.5369 3.5369 5.3137 5.3137 6.6497 6.6497 7.6292 7.6292 7.9221 7.9221 8.7945 8.7945 9.0461 9.0461 9.5962 9.5962 k = 0.1562 0.1562-0.0000 ( 11339 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0688 -44.0688 -11.1086 -11.1086 -10.6403 -10.6403 -10.6285 -10.6285 -10.5537 -10.5537 -7.4471 -7.4471 -7.4448 -7.4448 -7.4380 -7.4380 -7.4299 -7.4299 -5.2809 -5.2809 -5.2704 -5.2704 -5.2621 -5.2621 -5.2517 -5.2517 -5.2478 -5.2478 -5.2350 -5.2350 -1.8649 -1.8649 -1.1579 -1.1579 -0.9898 -0.9898 -0.3065 -0.3065 0.1833 0.1833 0.4435 0.4435 0.7723 0.7723 0.8049 0.8049 0.9336 0.9336 1.1689 1.1689 1.8806 1.8806 1.8988 1.8988 2.0045 2.0045 2.3036 2.3036 2.5733 2.5733 3.1682 3.1682 3.2222 3.2222 3.5622 3.5622 5.3441 5.3441 6.6182 6.6182 7.5748 7.5748 7.9747 7.9747 8.7539 8.7539 9.0100 9.0100 9.6029 9.6029 k = 0.1406 0.1406-0.0000 ( 11339 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0688 -44.0688 -11.1129 -11.1129 -10.6385 -10.6385 -10.6269 -10.6269 -10.5516 -10.5516 -7.4471 -7.4471 -7.4450 -7.4450 -7.4380 -7.4380 -7.4296 -7.4296 -5.2810 -5.2810 -5.2702 -5.2702 -5.2626 -5.2626 -5.2521 -5.2521 -5.2476 -5.2476 -5.2346 -5.2346 -1.8897 -1.8897 -1.1665 -1.1665 -0.9768 -0.9768 -0.2743 -0.2743 0.1853 0.1853 0.4159 0.4159 0.7776 0.7776 0.8151 0.8151 0.9621 0.9621 1.1540 1.1540 1.8728 1.8728 1.8841 1.8841 1.9821 1.9821 2.3278 2.3278 2.5683 2.5683 3.1707 3.1707 3.2265 3.2265 3.5865 3.5865 5.3723 5.3723 6.5865 6.5865 7.5243 7.5243 8.0264 8.0264 8.7132 8.7132 8.9769 8.9769 9.6137 9.6137 k = 0.1250 0.1250-0.0000 ( 11335 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0688 -44.0688 -11.1169 -11.1169 -10.6369 -10.6369 -10.6253 -10.6253 -10.5498 -10.5498 -7.4470 -7.4470 -7.4453 -7.4453 -7.4380 -7.4380 -7.4294 -7.4294 -5.2812 -5.2812 -5.2700 -5.2700 -5.2630 -5.2630 -5.2525 -5.2525 -5.2474 -5.2474 -5.2342 -5.2342 -1.9120 -1.9120 -1.1746 -1.1746 -0.9646 -0.9646 -0.2415 -0.2415 0.1861 0.1861 0.3869 0.3869 0.7828 0.7828 0.8236 0.8236 0.9914 0.9914 1.1399 1.1399 1.8504 1.8504 1.8854 1.8854 1.9598 1.9598 2.3516 2.3516 2.5636 2.5636 3.1731 3.1731 3.2303 3.2303 3.6096 3.6096 5.3983 5.3983 6.5552 6.5552 7.4787 7.4787 8.0760 8.0760 8.6731 8.6731 8.9468 8.9468 9.6276 9.6276 k = 0.1094 0.1094-0.0000 ( 11349 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0688 -44.0688 -11.1204 -11.1204 -10.6354 -10.6354 -10.6239 -10.6239 -10.5482 -10.5482 -7.4470 -7.4470 -7.4456 -7.4456 -7.4381 -7.4381 -7.4292 -7.4292 -5.2814 -5.2814 -5.2699 -5.2699 -5.2634 -5.2634 -5.2528 -5.2528 -5.2472 -5.2472 -5.2339 -5.2339 -1.9318 -1.9318 -1.1819 -1.1819 -0.9532 -0.9532 -0.2082 -0.2082 0.1860 0.1860 0.3566 0.3566 0.7878 0.7878 0.8309 0.8309 1.0206 1.0206 1.1266 1.1266 1.8294 1.8294 1.8871 1.8871 1.9387 1.9387 2.3740 2.3740 2.5593 2.5593 3.1751 3.1751 3.2336 3.2336 3.6311 3.6311 5.4216 5.4216 6.5250 6.5250 7.4385 7.4385 8.1231 8.1231 8.6340 8.6340 8.9199 8.9199 9.6434 9.6434 k = 0.0938 0.0937-0.0000 ( 11361 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0688 -44.0688 -11.1235 -11.1235 -10.6341 -10.6341 -10.6226 -10.6226 -10.5468 -10.5468 -7.4471 -7.4471 -7.4458 -7.4458 -7.4381 -7.4381 -7.4290 -7.4290 -5.2816 -5.2816 -5.2698 -5.2698 -5.2637 -5.2637 -5.2531 -5.2531 -5.2470 -5.2470 -5.2336 -5.2336 -1.9490 -1.9490 -1.1885 -1.1885 -0.9431 -0.9431 -0.1748 -0.1748 0.1854 0.1854 0.3255 0.3255 0.7923 0.7923 0.8372 0.8372 1.0485 1.0485 1.1145 1.1145 1.8101 1.8101 1.8884 1.8884 1.9194 1.9194 2.3943 2.3943 2.5553 2.5553 3.1770 3.1770 3.2364 3.2364 3.6506 3.6506 5.4423 5.4423 6.4967 6.4967 7.4038 7.4038 8.1674 8.1674 8.5962 8.5962 8.8964 8.8964 9.6602 9.6602 k = 0.0781 0.0781-0.0000 ( 11369 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0688 -44.0688 -11.1262 -11.1262 -10.6330 -10.6330 -10.6215 -10.6215 -10.5457 -10.5457 -7.4471 -7.4471 -7.4460 -7.4460 -7.4382 -7.4382 -7.4289 -7.4289 -5.2818 -5.2818 -5.2697 -5.2697 -5.2639 -5.2639 -5.2534 -5.2534 -5.2469 -5.2469 -5.2334 -5.2334 -1.9636 -1.9636 -1.1942 -1.1942 -0.9342 -0.9342 -0.1416 -0.1416 0.1846 0.1846 0.2940 0.2940 0.7964 0.7964 0.8426 0.8426 1.0742 1.0742 1.1037 1.1037 1.7929 1.7929 1.8892 1.8892 1.9028 1.9028 2.4121 2.4121 2.5519 2.5519 3.1786 3.1786 3.2389 3.2389 3.6679 3.6679 5.4601 5.4601 6.4710 6.4710 7.3747 7.3747 8.2088 8.2088 8.5600 8.5600 8.8763 8.8763 9.6767 9.6767 k = 0.0625 0.0625-0.0000 ( 11361 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0688 -44.0688 -11.1284 -11.1284 -10.6321 -10.6321 -10.6205 -10.6205 -10.5448 -10.5448 -7.4471 -7.4471 -7.4461 -7.4461 -7.4381 -7.4381 -7.4287 -7.4287 -5.2820 -5.2820 -5.2696 -5.2696 -5.2641 -5.2641 -5.2536 -5.2536 -5.2467 -5.2467 -5.2331 -5.2331 -1.9756 -1.9756 -1.1989 -1.1989 -0.9267 -0.9267 -0.1093 -0.1093 0.1836 0.1836 0.2630 0.2630 0.7999 0.7999 0.8472 0.8472 1.0940 1.0940 1.0972 1.0972 1.7779 1.7779 1.8854 1.8854 1.8933 1.8933 2.4270 2.4270 2.5490 2.5490 3.1799 3.1799 3.2409 3.2409 3.6826 3.6826 5.4749 5.4749 6.4488 6.4488 7.3510 7.3510 8.2475 8.2475 8.5253 8.5253 8.8597 8.8597 9.6921 9.6921 k = 0.0469 0.0469-0.0000 ( 11353 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0688 -44.0688 -11.1302 -11.1302 -10.6313 -10.6313 -10.6198 -10.6198 -10.5441 -10.5441 -7.4471 -7.4471 -7.4461 -7.4461 -7.4381 -7.4381 -7.4286 -7.4286 -5.2821 -5.2821 -5.2696 -5.2696 -5.2642 -5.2642 -5.2537 -5.2537 -5.2466 -5.2466 -5.2330 -5.2330 -1.9850 -1.9850 -1.2027 -1.2027 -0.9208 -0.9208 -0.0789 -0.0789 0.1826 0.1826 0.2336 0.2336 0.8027 0.8027 0.8509 0.8509 1.0867 1.0867 1.1158 1.1158 1.7656 1.7656 1.8753 1.8753 1.8929 1.8929 2.4389 2.4389 2.5467 2.5467 3.1809 3.1809 3.2424 3.2424 3.6944 3.6944 5.4866 5.4866 6.4307 6.4307 7.3327 7.3327 8.2837 8.2837 8.4922 8.4922 8.8467 8.8467 9.7052 9.7052 k = 0.0312 0.0312-0.0000 ( 11355 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0688 -44.0688 -11.1314 -11.1314 -10.6308 -10.6308 -10.6192 -10.6192 -10.5436 -10.5436 -7.4471 -7.4471 -7.4462 -7.4462 -7.4381 -7.4381 -7.4285 -7.4285 -5.2822 -5.2822 -5.2695 -5.2695 -5.2643 -5.2643 -5.2538 -5.2538 -5.2465 -5.2465 -5.2328 -5.2328 -1.9916 -1.9916 -1.2054 -1.2054 -0.9165 -0.9165 -0.0526 -0.0526 0.1815 0.1815 0.2081 0.2081 0.8048 0.8048 0.8536 0.8536 1.0811 1.0811 1.1299 1.1299 1.7562 1.7562 1.8673 1.8673 1.8933 1.8933 2.4474 2.4474 2.5451 2.5451 3.1817 3.1817 3.2435 3.2435 3.7030 3.7030 5.4950 5.4950 6.4173 6.4173 7.3197 7.3197 8.3170 8.3170 8.4609 8.4609 8.8374 8.8374 9.7152 9.7152 k = 0.0156 0.0156-0.0000 ( 11343 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0688 -44.0688 -11.1322 -11.1322 -10.6305 -10.6305 -10.6189 -10.6189 -10.5433 -10.5433 -7.4471 -7.4471 -7.4462 -7.4462 -7.4381 -7.4381 -7.4284 -7.4284 -5.2822 -5.2822 -5.2695 -5.2695 -5.2644 -5.2644 -5.2539 -5.2539 -5.2464 -5.2464 -5.2328 -5.2328 -1.9957 -1.9957 -1.2070 -1.2070 -0.9138 -0.9138 -0.0336 -0.0336 0.1795 0.1795 0.1910 0.1910 0.8061 0.8061 0.8553 0.8553 1.0777 1.0777 1.1387 1.1387 1.7504 1.7504 1.8625 1.8625 1.8936 1.8936 2.4526 2.4526 2.5441 2.5441 3.1822 3.1822 3.2442 3.2442 3.7083 3.7083 5.5001 5.5001 6.4090 6.4090 7.3120 7.3120 8.3461 8.3461 8.4329 8.4329 8.8318 8.8318 9.7216 9.7216 k = 0.0000 0.0000 0.0000 ( 11351 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0688 -44.0688 -11.1324 -11.1324 -10.6303 -10.6303 -10.6187 -10.6187 -10.5432 -10.5432 -7.4471 -7.4471 -7.4463 -7.4463 -7.4381 -7.4381 -7.4284 -7.4284 -5.2823 -5.2823 -5.2695 -5.2695 -5.2644 -5.2644 -5.2539 -5.2539 -5.2463 -5.2463 -5.2327 -5.2327 -1.9970 -1.9970 -1.2076 -1.2076 -0.9129 -0.9129 -0.0264 -0.0264 0.1770 0.1770 0.1863 0.1863 0.8065 0.8065 0.8559 0.8559 1.0765 1.0765 1.1416 1.1416 1.7484 1.7484 1.8608 1.8608 1.8937 1.8937 2.4544 2.4544 2.5437 2.5437 3.1823 3.1823 3.2444 3.2444 3.7100 3.7100 5.5018 5.5018 6.4062 6.4062 7.3094 7.3094 8.3613 8.3613 8.4182 8.4182 8.8300 8.8300 9.7237 9.7237 k = 0.0000 0.0000 0.0000 ( 11351 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0688 -44.0688 -11.1324 -11.1324 -10.6303 -10.6303 -10.6187 -10.6187 -10.5432 -10.5432 -7.4471 -7.4471 -7.4463 -7.4463 -7.4381 -7.4381 -7.4284 -7.4284 -5.2823 -5.2823 -5.2695 -5.2695 -5.2644 -5.2644 -5.2539 -5.2539 -5.2463 -5.2463 -5.2327 -5.2327 -1.9970 -1.9970 -1.2076 -1.2076 -0.9129 -0.9129 -0.0264 -0.0264 0.1770 0.1770 0.1863 0.1863 0.8065 0.8065 0.8559 0.8559 1.0765 1.0765 1.1416 1.1416 1.7484 1.7484 1.8608 1.8608 1.8937 1.8937 2.4544 2.4544 2.5437 2.5437 3.1823 3.1823 3.2444 3.2444 3.7100 3.7100 5.5018 5.5018 6.4062 6.4062 7.3094 7.3094 8.3613 8.3613 8.4182 8.4182 8.8300 8.8300 9.7237 9.7237 k = 0.0000 0.0000 0.0226 ( 11343 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0688 -44.0688 -11.1323 -11.1323 -10.6303 -10.6303 -10.6187 -10.6187 -10.5431 -10.5431 -7.4470 -7.4470 -7.4462 -7.4462 -7.4381 -7.4381 -7.4284 -7.4284 -5.2821 -5.2821 -5.2694 -5.2694 -5.2644 -5.2644 -5.2538 -5.2538 -5.2463 -5.2463 -5.2328 -5.2328 -1.9958 -1.9958 -1.2075 -1.2075 -0.9129 -0.9129 -0.0310 -0.0310 0.1775 0.1775 0.1868 0.1868 0.8053 0.8053 0.8546 0.8546 1.0816 1.0816 1.1409 1.1409 1.7488 1.7488 1.8612 1.8612 1.8929 1.8929 2.4543 2.4543 2.5444 2.5444 3.1815 3.1815 3.2434 3.2434 3.7069 3.7069 5.5018 5.5018 6.4099 6.4099 7.3130 7.3130 8.3576 8.3576 8.4197 8.4197 8.8314 8.8314 9.7203 9.7203 k = 0.0000 0.0000 0.0452 ( 11335 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0688 -44.0688 -11.1318 -11.1318 -10.6301 -10.6301 -10.6186 -10.6186 -10.5428 -10.5428 -7.4468 -7.4468 -7.4462 -7.4462 -7.4380 -7.4380 -7.4284 -7.4284 -5.2817 -5.2817 -5.2693 -5.2693 -5.2643 -5.2643 -5.2537 -5.2537 -5.2464 -5.2464 -5.2331 -5.2331 -1.9924 -1.9924 -1.2074 -1.2074 -0.9128 -0.9128 -0.0446 -0.0446 0.1791 0.1791 0.1882 0.1882 0.8016 0.8016 0.8506 0.8506 1.0966 1.0966 1.1386 1.1386 1.7499 1.7499 1.8621 1.8621 1.8907 1.8907 2.4542 2.4542 2.5464 2.5464 3.1793 3.1793 3.2404 3.2404 3.6973 3.6973 5.5019 5.5019 6.4207 6.4207 7.3237 7.3237 8.3465 8.3465 8.4240 8.4240 8.8356 8.8356 9.7100 9.7100 k = 0.0000 0.0000 0.0678 ( 11355 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0688 -44.0688 -11.1311 -11.1311 -10.6299 -10.6299 -10.6183 -10.6183 -10.5424 -10.5424 -7.4465 -7.4465 -7.4462 -7.4462 -7.4380 -7.4380 -7.4286 -7.4286 -5.2811 -5.2811 -5.2692 -5.2692 -5.2641 -5.2641 -5.2535 -5.2535 -5.2466 -5.2466 -5.2337 -5.2337 -1.9866 -1.9866 -1.2071 -1.2071 -0.9127 -0.9127 -0.0663 -0.0663 0.1817 0.1817 0.1906 0.1906 0.7956 0.7956 0.8440 0.8440 1.1207 1.1207 1.1348 1.1348 1.7517 1.7517 1.8637 1.8637 1.8870 1.8870 2.4541 2.4541 2.5498 2.5498 3.1756 3.1756 3.2354 3.2354 3.6815 3.6815 5.5021 5.5021 6.4386 6.4386 7.3414 7.3414 8.3283 8.3283 8.4312 8.4312 8.8426 8.8426 9.6931 9.6931 k = 0.0000 0.0000 0.0904 ( 11355 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0688 -44.0688 -11.1301 -11.1301 -10.6295 -10.6295 -10.6180 -10.6180 -10.5417 -10.5417 -7.4461 -7.4461 -7.4459 -7.4459 -7.4379 -7.4379 -7.4288 -7.4288 -5.2801 -5.2801 -5.2689 -5.2689 -5.2639 -5.2639 -5.2530 -5.2530 -5.2468 -5.2468 -5.2346 -5.2346 -1.9785 -1.9785 -1.2068 -1.2068 -0.9126 -0.9126 -0.0951 -0.0951 0.1852 0.1852 0.1939 0.1939 0.7872 0.7872 0.8348 0.8348 1.1295 1.1295 1.1528 1.1528 1.7543 1.7543 1.8659 1.8659 1.8819 1.8819 2.4539 2.4539 2.5545 2.5545 3.1705 3.1705 3.2285 3.2285 3.6598 3.6598 5.5024 5.5024 6.4634 6.4634 7.3660 7.3660 8.3031 8.3031 8.4410 8.4410 8.8522 8.8522 9.6698 9.6698 k = 0.0000 0.0000 0.1130 ( 11359 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0688 -44.0688 -11.1289 -11.1289 -10.6290 -10.6290 -10.6175 -10.6175 -10.5409 -10.5409 -7.4460 -7.4460 -7.4452 -7.4452 -7.4378 -7.4378 -7.4290 -7.4290 -5.2789 -5.2789 -5.2687 -5.2687 -5.2637 -5.2637 -5.2525 -5.2525 -5.2470 -5.2470 -5.2356 -5.2356 -1.9681 -1.9681 -1.2064 -1.2064 -0.9123 -0.9123 -0.1298 -0.1298 0.1897 0.1897 0.1981 0.1981 0.7765 0.7765 0.8232 0.8232 1.1226 1.1226 1.1919 1.1919 1.7575 1.7575 1.8683 1.8683 1.8759 1.8759 2.4537 2.4537 2.5604 2.5604 3.1643 3.1643 3.2199 3.2199 3.6324 3.6324 5.5028 5.5028 6.4948 6.4948 7.3972 7.3972 8.2713 8.2713 8.4536 8.4536 8.8642 8.8642 9.6404 9.6404 k = 0.0000 0.0000 0.1356 ( 11363 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0689 -44.0689 -11.1273 -11.1273 -10.6285 -10.6285 -10.6170 -10.6170 -10.5399 -10.5399 -7.4458 -7.4458 -7.4444 -7.4444 -7.4377 -7.4377 -7.4293 -7.4293 -5.2774 -5.2774 -5.2684 -5.2684 -5.2633 -5.2633 -5.2519 -5.2519 -5.2473 -5.2473 -5.2369 -5.2369 -1.9554 -1.9554 -1.2060 -1.2060 -0.9121 -0.9121 -0.1691 -0.1691 0.1951 0.1951 0.2031 0.2031 0.7637 0.7637 0.8091 0.8091 1.1142 1.1142 1.2367 1.2367 1.7615 1.7615 1.8662 1.8662 1.8735 1.8735 2.4534 2.4534 2.5675 2.5675 3.1570 3.1570 3.2097 3.2097 3.5998 3.5998 5.5033 5.5033 6.5324 6.5324 7.4347 7.4347 8.2331 8.2331 8.4687 8.4687 8.8785 8.8785 9.6053 9.6053 k = 0.0000 0.0000 0.1582 ( 11363 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0689 -44.0689 -11.1256 -11.1256 -10.6278 -10.6278 -10.6164 -10.6164 -10.5388 -10.5388 -7.4456 -7.4456 -7.4435 -7.4435 -7.4375 -7.4375 -7.4296 -7.4296 -5.2757 -5.2757 -5.2680 -5.2680 -5.2629 -5.2629 -5.2511 -5.2511 -5.2477 -5.2477 -5.2383 -5.2383 -1.9404 -1.9404 -1.2055 -1.2055 -0.9118 -0.9118 -0.2120 -0.2120 0.2013 0.2013 0.2090 0.2090 0.7488 0.7488 0.7928 0.7928 1.1041 1.1041 1.2861 1.2861 1.7663 1.7663 1.8577 1.8577 1.8769 1.8769 2.4531 2.4531 2.5758 2.5758 3.1488 3.1488 3.1980 3.1980 3.5625 3.5625 5.5038 5.5038 6.5758 6.5758 7.4780 7.4780 8.1890 8.1890 8.4864 8.4864 8.8949 8.8949 9.5650 9.5650 k = 0.0000 0.0000 0.1808 ( 11364 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0689 -44.0689 -11.1235 -11.1235 -10.6271 -10.6271 -10.6157 -10.6157 -10.5374 -10.5374 -7.4455 -7.4455 -7.4425 -7.4425 -7.4373 -7.4373 -7.4298 -7.4298 -5.2739 -5.2739 -5.2675 -5.2675 -5.2624 -5.2624 -5.2502 -5.2502 -5.2480 -5.2480 -5.2400 -5.2400 -1.9231 -1.9231 -1.2051 -1.2051 -0.9114 -0.9114 -0.2574 -0.2574 0.2084 0.2084 0.2157 0.2157 0.7320 0.7320 0.7743 0.7743 1.0924 1.0924 1.3391 1.3391 1.7718 1.7718 1.8474 1.8474 1.8814 1.8814 2.4526 2.4526 2.5851 2.5851 3.1400 3.1400 3.1848 3.1848 3.5210 3.5210 5.5044 5.5044 6.6246 6.6246 7.5267 7.5267 8.1396 8.1396 8.5065 8.5065 8.9131 8.9131 9.5201 9.5201 k = 0.0000 0.0000 0.2035 ( 11364 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0689 -44.0689 -11.1213 -11.1213 -10.6262 -10.6262 -10.6150 -10.6150 -10.5360 -10.5360 -7.4452 -7.4452 -7.4415 -7.4415 -7.4371 -7.4371 -7.4299 -7.4299 -5.2718 -5.2718 -5.2670 -5.2670 -5.2619 -5.2619 -5.2491 -5.2491 -5.2484 -5.2484 -5.2419 -5.2419 -1.9036 -1.9036 -1.2047 -1.2047 -0.9110 -0.9110 -0.3047 -0.3047 0.2162 0.2162 0.2232 0.2232 0.7133 0.7133 0.7538 0.7538 1.0790 1.0790 1.3950 1.3950 1.7781 1.7781 1.8360 1.8360 1.8864 1.8864 2.4522 2.4522 2.5954 2.5954 3.1307 3.1307 3.1704 3.1704 3.4760 3.4760 5.5051 5.5051 6.6783 6.6783 7.5797 7.5797 8.0857 8.0857 8.5289 8.5289 8.9329 8.9329 9.4711 9.4711 k = 0.0000 0.0000 0.2261 ( 11360 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0689 -44.0689 -11.1188 -11.1188 -10.6253 -10.6253 -10.6141 -10.6141 -10.5344 -10.5344 -7.4450 -7.4450 -7.4407 -7.4407 -7.4369 -7.4369 -7.4298 -7.4298 -5.2697 -5.2697 -5.2665 -5.2665 -5.2613 -5.2613 -5.2487 -5.2487 -5.2480 -5.2480 -5.2438 -5.2438 -1.8818 -1.8818 -1.2043 -1.2043 -0.9106 -0.9106 -0.3531 -0.3531 0.2247 0.2247 0.2314 0.2314 0.6931 0.6931 0.7314 0.7314 1.0639 1.0639 1.4530 1.4530 1.7852 1.7852 1.8236 1.8236 1.8920 1.8920 2.4517 2.4517 2.6065 2.6065 3.1213 3.1213 3.1547 3.1547 3.4281 3.4281 5.5058 5.5058 6.7365 6.7365 7.6358 7.6358 8.0288 8.0288 8.5533 8.5533 8.9539 8.9539 9.4187 9.4187 k = 0.0000 0.0000 0.2487 ( 11352 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0689 -44.0689 -11.1162 -11.1162 -10.6244 -10.6244 -10.6132 -10.6132 -10.5327 -10.5327 -7.4447 -7.4447 -7.4401 -7.4401 -7.4365 -7.4365 -7.4295 -7.4295 -5.2676 -5.2676 -5.2659 -5.2659 -5.2606 -5.2606 -5.2490 -5.2490 -5.2468 -5.2468 -5.2457 -5.2457 -1.8578 -1.8578 -1.2041 -1.2041 -0.9101 -0.9101 -0.4019 -0.4019 0.2339 0.2339 0.2402 0.2402 0.6713 0.6713 0.7075 0.7075 1.0469 1.0469 1.5123 1.5123 1.7935 1.7935 1.8103 1.8103 1.8980 1.8980 2.4511 2.4511 2.6182 2.6182 3.1118 3.1118 3.1376 3.1376 3.3782 3.3782 5.5066 5.5066 6.7986 6.7986 7.6911 7.6911 7.9726 7.9726 8.5796 8.5796 8.9760 8.9760 9.3634 9.3634 k = 0.0000 0.0000 0.2713 ( 11360 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0689 -44.0689 -11.1133 -11.1133 -10.6233 -10.6233 -10.6123 -10.6123 -10.5308 -10.5308 -7.4445 -7.4445 -7.4398 -7.4398 -7.4363 -7.4363 -7.4288 -7.4288 -5.2655 -5.2655 -5.2653 -5.2653 -5.2600 -5.2600 -5.2498 -5.2498 -5.2473 -5.2473 -5.2456 -5.2456 -1.8316 -1.8316 -1.2041 -1.2041 -0.9096 -0.9096 -0.4508 -0.4508 0.2437 0.2437 0.2495 0.2495 0.6483 0.6483 0.6821 0.6821 1.0279 1.0279 1.5721 1.5721 1.7962 1.7962 1.8031 1.8031 1.9044 1.9044 2.4505 2.4505 2.6305 2.6305 3.1027 3.1027 3.1189 3.1189 3.3273 3.3273 5.5075 5.5075 6.8641 6.8641 7.7336 7.7336 7.9289 7.9289 8.6074 8.6074 8.9987 8.9987 9.3061 9.3061 k = 0.0000 0.0000 0.2939 ( 11344 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0689 -44.0689 -11.1104 -11.1104 -10.6222 -10.6222 -10.6113 -10.6113 -10.5289 -10.5289 -7.4443 -7.4443 -7.4398 -7.4398 -7.4359 -7.4359 -7.4277 -7.4277 -5.2647 -5.2647 -5.2636 -5.2636 -5.2592 -5.2592 -5.2515 -5.2515 -5.2475 -5.2475 -5.2442 -5.2442 -1.8032 -1.8032 -1.2043 -1.2043 -0.9091 -0.9091 -0.4992 -0.4992 0.2540 0.2540 0.2594 0.2594 0.6242 0.6242 0.6555 0.6555 1.0068 1.0068 1.6313 1.6313 1.7815 1.7815 1.8149 1.8149 1.9113 1.9113 2.4499 2.4499 2.6431 2.6431 3.0942 3.0942 3.0980 3.0980 3.2768 3.2768 5.5084 5.5084 6.9325 6.9325 7.7325 7.7325 7.9288 7.9288 8.6362 8.6362 9.0212 9.0212 9.2468 9.2468 k = 0.0000 0.0000 0.3165 ( 11348 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0690 -44.0690 -11.1072 -11.1072 -10.6211 -10.6211 -10.6102 -10.6102 -10.5269 -10.5269 -7.4440 -7.4440 -7.4401 -7.4401 -7.4355 -7.4355 -7.4262 -7.4262 -5.2641 -5.2641 -5.2622 -5.2622 -5.2584 -5.2584 -5.2538 -5.2538 -5.2469 -5.2469 -5.2427 -5.2427 -1.7727 -1.7727 -1.2048 -1.2048 -0.9085 -0.9085 -0.5468 -0.5468 0.2648 0.2648 0.2697 0.2697 0.5992 0.5992 0.6280 0.6280 0.9837 0.9837 1.6878 1.6878 1.7661 1.7661 1.8305 1.8305 1.9184 1.9184 2.4493 2.4493 2.6556 2.6556 3.0737 3.0737 3.0866 3.0866 3.2283 3.2283 5.5093 5.5093 7.0032 7.0032 7.6823 7.6823 7.9774 7.9774 8.6652 8.6652 9.0420 9.0420 9.1202 9.1202 k = 0.0000 0.0000 0.3391 ( 11356 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0690 -44.0690 -11.1040 -11.1040 -10.6199 -10.6199 -10.6091 -10.6091 -10.5248 -10.5248 -7.4438 -7.4438 -7.4406 -7.4406 -7.4352 -7.4352 -7.4246 -7.4246 -5.2635 -5.2635 -5.2613 -5.2613 -5.2576 -5.2576 -5.2564 -5.2564 -5.2455 -5.2455 -5.2412 -5.2412 -1.7400 -1.7400 -1.2057 -1.2057 -0.9080 -0.9080 -0.5932 -0.5932 0.2759 0.2759 0.2804 0.2804 0.5735 0.5735 0.5997 0.5997 0.9582 0.9582 1.7376 1.7376 1.7504 1.7504 1.8537 1.8537 1.9258 1.9258 2.4486 2.4486 2.6680 2.6680 3.0446 3.0446 3.0801 3.0801 3.1843 3.1843 5.5103 5.5103 7.0759 7.0759 7.6110 7.6110 8.0466 8.0466 8.6931 8.6931 8.9990 8.9990 9.0534 9.0534 k = 0.0000 0.0000 0.3617 ( 11364 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0690 -44.0690 -11.1007 -11.1007 -10.6187 -10.6187 -10.6080 -10.6080 -10.5227 -10.5227 -7.4436 -7.4436 -7.4414 -7.4414 -7.4348 -7.4348 -7.4226 -7.4226 -5.2629 -5.2629 -5.2610 -5.2610 -5.2589 -5.2589 -5.2568 -5.2568 -5.2435 -5.2435 -5.2397 -5.2397 -1.7053 -1.7053 -1.2071 -1.2071 -0.9073 -0.9073 -0.6381 -0.6381 0.2872 0.2872 0.2913 0.2913 0.5473 0.5473 0.5708 0.5708 0.9303 0.9303 1.7344 1.7344 1.7751 1.7751 1.8898 1.8898 1.9335 1.9335 2.4479 2.4479 2.6798 2.6798 3.0090 3.0090 3.0750 3.0750 3.1468 3.1468 5.5113 5.5113 7.1499 7.1499 7.5312 7.5312 8.1236 8.1236 8.7154 8.7154 8.8872 8.8872 9.0305 9.0305 k = 0.0000 0.0000 0.3843 ( 11372 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0690 -44.0690 -11.0973 -11.0973 -10.6174 -10.6174 -10.6069 -10.6069 -10.5205 -10.5205 -7.4434 -7.4434 -7.4421 -7.4421 -7.4344 -7.4344 -7.4207 -7.4207 -5.2623 -5.2623 -5.2623 -5.2623 -5.2603 -5.2603 -5.2560 -5.2560 -5.2410 -5.2410 -5.2381 -5.2381 -1.6686 -1.6686 -1.2091 -1.2091 -0.9067 -0.9067 -0.6812 -0.6812 0.2987 0.2987 0.3024 0.3024 0.5209 0.5209 0.5417 0.5417 0.9000 0.9000 1.7181 1.7181 1.7999 1.7999 1.9389 1.9389 1.9414 1.9414 2.4471 2.4471 2.6908 2.6908 2.9673 2.9673 3.0717 3.0717 3.1163 3.1163 5.5123 5.5123 7.2248 7.2248 7.4466 7.4466 8.2039 8.2039 8.7093 8.7093 8.8077 8.8077 8.9786 8.9786 k = 0.0000 0.0000 0.4069 ( 11380 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0690 -44.0690 -11.0938 -11.0938 -10.6162 -10.6162 -10.6057 -10.6057 -10.5182 -10.5182 -7.4433 -7.4433 -7.4430 -7.4430 -7.4340 -7.4340 -7.4186 -7.4186 -5.2649 -5.2649 -5.2617 -5.2617 -5.2607 -5.2607 -5.2551 -5.2551 -5.2382 -5.2382 -5.2365 -5.2365 -1.6300 -1.6300 -1.2119 -1.2119 -0.9061 -0.9061 -0.7222 -0.7222 0.3102 0.3102 0.3136 0.3136 0.4945 0.4945 0.5126 0.5126 0.8672 0.8672 1.7018 1.7018 1.8172 1.8172 1.9494 1.9494 1.9956 1.9956 2.4464 2.4464 2.7008 2.7008 2.9210 2.9210 3.0702 3.0702 3.0917 3.0917 5.5133 5.5133 7.3000 7.3000 7.3589 7.3589 8.2836 8.2836 8.6372 8.6372 8.7985 8.7985 8.9199 8.9199 k = 0.0000 0.0000 0.4295 ( 11392 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0691 -44.0691 -11.0904 -11.0904 -10.6149 -10.6149 -10.6045 -10.6045 -10.5160 -10.5160 -7.4439 -7.4439 -7.4431 -7.4431 -7.4336 -7.4336 -7.4164 -7.4164 -5.2677 -5.2677 -5.2612 -5.2612 -5.2611 -5.2611 -5.2542 -5.2542 -5.2352 -5.2352 -5.2348 -5.2348 -1.5895 -1.5895 -1.2156 -1.2156 -0.9054 -0.9054 -0.7607 -0.7607 0.3214 0.3214 0.3246 0.3246 0.4685 0.4685 0.4838 0.4838 0.8318 0.8318 1.6856 1.6856 1.8308 1.8308 1.9575 1.9575 2.0556 2.0556 2.4456 2.4456 2.7094 2.7094 2.8726 2.8726 3.0709 3.0709 3.0711 3.0711 5.5144 5.5144 7.2692 7.2692 7.3750 7.3750 8.3522 8.3522 8.5576 8.5576 8.8083 8.8083 8.8601 8.8601 k = 0.0000 0.0000 0.4521 ( 11368 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0691 -44.0691 -11.0869 -11.0869 -10.6137 -10.6137 -10.6034 -10.6034 -10.5138 -10.5138 -7.4448 -7.4448 -7.4429 -7.4429 -7.4331 -7.4331 -7.4142 -7.4142 -5.2704 -5.2704 -5.2618 -5.2618 -5.2605 -5.2605 -5.2532 -5.2532 -5.2332 -5.2332 -5.2320 -5.2320 -1.5473 -1.5473 -1.2202 -1.2202 -0.9047 -0.9047 -0.7967 -0.7967 0.3320 0.3320 0.3353 0.3353 0.4435 0.4435 0.4557 0.4557 0.7938 0.7938 1.6696 1.6696 1.8427 1.8427 1.9657 1.9657 2.1170 2.1170 2.4449 2.4449 2.7166 2.7166 2.8238 2.8238 3.0533 3.0533 3.0738 3.0738 5.5154 5.5154 7.1783 7.1783 7.4493 7.4493 8.3640 8.3640 8.5370 8.5370 8.8009 8.8009 8.8131 8.8131 k = 0.0000 0.0000 0.4747 ( 11368 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0691 -44.0691 -11.0835 -11.0835 -10.6124 -10.6124 -10.6022 -10.6022 -10.5116 -10.5116 -7.4457 -7.4457 -7.4427 -7.4427 -7.4327 -7.4327 -7.4121 -7.4121 -5.2730 -5.2730 -5.2624 -5.2624 -5.2599 -5.2599 -5.2522 -5.2522 -5.2315 -5.2315 -5.2289 -5.2289 -1.5034 -1.5034 -1.2259 -1.2259 -0.9040 -0.9040 -0.8297 -0.8297 0.3410 0.3410 0.3450 0.3450 0.4202 0.4202 0.4290 0.4290 0.7533 0.7533 1.6538 1.6538 1.8536 1.8536 1.9738 1.9738 2.1785 2.1785 2.4442 2.4442 2.7222 2.7222 2.7759 2.7759 3.0374 3.0374 3.0789 3.0789 5.5165 5.5165 7.0869 7.0869 7.5223 7.5223 8.3012 8.3012 8.5959 8.5959 8.7429 8.7429 8.8073 8.8073 k = 0.0000 0.0000 0.4973 ( 11364 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0691 -44.0691 -11.0801 -11.0801 -10.6112 -10.6112 -10.6011 -10.6011 -10.5094 -10.5094 -7.4466 -7.4466 -7.4425 -7.4425 -7.4322 -7.4322 -7.4099 -7.4099 -5.2758 -5.2758 -5.2631 -5.2631 -5.2594 -5.2594 -5.2513 -5.2513 -5.2298 -5.2298 -5.2257 -5.2257 -1.4580 -1.4580 -1.2329 -1.2329 -0.9033 -0.9033 -0.8596 -0.8596 0.3460 0.3460 0.3520 0.3520 0.4015 0.4015 0.4054 0.4054 0.7104 0.7104 1.6384 1.6384 1.8639 1.8639 1.9818 1.9818 2.2396 2.2396 2.4435 2.4435 2.7262 2.7262 2.7296 2.7296 3.0230 3.0230 3.0860 3.0860 5.5175 5.5175 6.9957 6.9957 7.5936 7.5936 8.2211 8.2211 8.6766 8.6766 8.6869 8.6869 8.7892 8.7892 k = 0.0000 0.0000 0.5199 ( 11368 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0691 -44.0691 -11.0769 -11.0769 -10.6100 -10.6100 -10.6000 -10.6000 -10.5073 -10.5073 -7.4476 -7.4476 -7.4424 -7.4424 -7.4318 -7.4318 -7.4077 -7.4077 -5.2784 -5.2784 -5.2639 -5.2639 -5.2589 -5.2589 -5.2504 -5.2504 -5.2282 -5.2282 -5.2225 -5.2225 -1.4113 -1.4113 -1.2411 -1.2411 -0.9026 -0.9026 -0.8862 -0.8862 0.3414 0.3414 0.3503 0.3503 0.3912 0.3912 0.3929 0.3929 0.6651 0.6651 1.6235 1.6235 1.8737 1.8737 1.9898 1.9898 2.2997 2.2997 2.4428 2.4428 2.6855 2.6855 2.7287 2.7287 3.0098 3.0098 3.0949 3.0949 5.5185 5.5185 6.9053 6.9053 7.6625 7.6625 8.1412 8.1412 8.6331 8.6331 8.7484 8.7484 8.7733 8.7733 k = 0.0000 0.0000 0.5425 ( 11356 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0691 -44.0691 -11.0737 -11.0737 -10.6089 -10.6089 -10.5990 -10.5990 -10.5052 -10.5052 -7.4485 -7.4485 -7.4422 -7.4422 -7.4313 -7.4313 -7.4057 -7.4057 -5.2809 -5.2809 -5.2645 -5.2645 -5.2583 -5.2583 -5.2494 -5.2494 -5.2266 -5.2266 -5.2194 -5.2194 -1.3634 -1.3634 -1.2506 -1.2506 -0.9096 -0.9096 -0.9019 -0.9019 0.3263 0.3263 0.3347 0.3347 0.3917 0.3917 0.3953 0.3953 0.6177 0.6177 1.6092 1.6092 1.8831 1.8831 1.9975 1.9975 2.3585 2.3585 2.4422 2.4422 2.6440 2.6440 2.7300 2.7300 2.9977 2.9977 3.1053 3.1053 5.5195 5.5195 6.8166 6.8166 7.7286 7.7286 8.0651 8.0651 8.5820 8.5820 8.7175 8.7175 8.8520 8.8520 k = 0.0000 0.0000 0.5651 ( 11364 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0692 -44.0692 -11.0706 -11.0706 -10.6078 -10.6078 -10.5980 -10.5980 -10.5033 -10.5033 -7.4494 -7.4494 -7.4421 -7.4421 -7.4309 -7.4309 -7.4038 -7.4038 -5.2833 -5.2833 -5.2652 -5.2652 -5.2579 -5.2579 -5.2485 -5.2485 -5.2252 -5.2252 -5.2165 -5.2165 -1.3146 -1.3146 -1.2611 -1.2611 -0.9297 -0.9297 -0.9011 -0.9011 0.3072 0.3072 0.3135 0.3135 0.3986 0.3986 0.4024 0.4024 0.5685 0.5685 1.5956 1.5956 1.8921 1.8921 2.0050 2.0050 2.4153 2.4153 2.4419 2.4419 2.6053 2.6053 2.7301 2.7301 2.9866 2.9866 3.1168 3.1168 5.5204 5.5204 6.7301 6.7301 7.7913 7.7913 7.9937 7.9937 8.5339 8.5339 8.6736 8.6736 8.9375 8.9375 k = 0.0000 0.0000 0.5877 ( 11352 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0692 -44.0692 -11.0677 -11.0677 -10.6067 -10.6067 -10.5970 -10.5970 -10.5014 -10.5014 -7.4502 -7.4502 -7.4420 -7.4420 -7.4305 -7.4305 -7.4019 -7.4019 -5.2856 -5.2856 -5.2659 -5.2659 -5.2573 -5.2573 -5.2477 -5.2477 -5.2237 -5.2237 -5.2138 -5.2138 -1.2725 -1.2725 -1.2652 -1.2652 -0.9468 -0.9468 -0.9002 -0.9002 0.2876 0.2876 0.2918 0.2918 0.4068 0.4068 0.4108 0.4108 0.5179 0.5179 1.5827 1.5827 1.9006 1.9006 2.0121 2.0121 2.4402 2.4402 2.4715 2.4715 2.5698 2.5698 2.7294 2.7294 2.9764 2.9764 3.1290 3.1290 5.5214 5.5214 6.6468 6.6468 7.8501 7.8501 7.9276 7.9276 8.4892 8.4892 8.6269 8.6269 9.0214 9.0214 k = 0.0000 0.0000 0.6104 ( 11360 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0692 -44.0692 -11.0650 -11.0650 -10.6057 -10.6057 -10.5961 -10.5961 -10.4996 -10.4996 -7.4510 -7.4510 -7.4419 -7.4419 -7.4301 -7.4301 -7.4001 -7.4001 -5.2878 -5.2878 -5.2665 -5.2665 -5.2569 -5.2569 -5.2469 -5.2469 -5.2224 -5.2224 -5.2111 -5.2111 -1.2844 -1.2844 -1.2156 -1.2156 -0.9610 -0.9610 -0.8992 -0.8992 0.2685 0.2685 0.2709 0.2709 0.4152 0.4152 0.4194 0.4194 0.4664 0.4664 1.5707 1.5707 1.9087 1.9087 2.0189 2.0189 2.4400 2.4400 2.5239 2.5239 2.5374 2.5374 2.7281 2.7281 2.9671 2.9671 3.1415 3.1415 5.5222 5.5222 6.5672 6.5672 7.8669 7.8669 7.9043 7.9043 8.4482 8.4482 8.5799 8.5799 9.1026 9.1026 k = 0.0000 0.0000 0.6330 ( 11348 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0692 -44.0692 -11.0625 -11.0625 -10.6048 -10.6048 -10.5953 -10.5953 -10.4980 -10.4980 -7.4517 -7.4517 -7.4418 -7.4418 -7.4297 -7.4297 -7.3985 -7.3985 -5.2896 -5.2896 -5.2671 -5.2671 -5.2566 -5.2566 -5.2461 -5.2461 -5.2211 -5.2211 -5.2087 -5.2087 -1.2965 -1.2965 -1.1663 -1.1663 -0.9727 -0.9727 -0.8981 -0.8981 0.2506 0.2506 0.2514 0.2514 0.4142 0.4142 0.4234 0.4234 0.4277 0.4277 1.5596 1.5596 1.9162 1.9162 2.0252 2.0252 2.4395 2.4395 2.5082 2.5082 2.5736 2.5736 2.7264 2.7264 2.9588 2.9588 3.1540 3.1540 5.5230 5.5230 6.4921 6.4921 7.8118 7.8118 7.9535 7.9535 8.4114 8.4114 8.5343 8.5343 9.1802 9.1802 k = 0.0000 0.0000 0.6556 ( 11344 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0692 -44.0692 -11.0601 -11.0601 -10.6040 -10.6040 -10.5945 -10.5945 -10.4965 -10.4965 -7.4524 -7.4524 -7.4417 -7.4417 -7.4294 -7.4294 -7.3970 -7.3970 -5.2915 -5.2915 -5.2676 -5.2676 -5.2562 -5.2562 -5.2454 -5.2454 -5.2199 -5.2199 -5.2064 -5.2064 -1.3085 -1.3085 -1.1180 -1.1180 -0.9823 -0.9823 -0.8967 -0.8967 0.2335 0.2335 0.2342 0.2342 0.3627 0.3627 0.4307 0.4307 0.4354 0.4354 1.5495 1.5495 1.9231 1.9231 2.0311 2.0311 2.4390 2.4390 2.4822 2.4822 2.6198 2.6198 2.7246 2.7246 2.9512 2.9512 3.1661 3.1661 5.5237 5.5237 6.4224 6.4224 7.7624 7.7624 7.9970 7.9970 8.3792 8.3792 8.4914 8.4914 9.2533 9.2533 k = 0.0000 0.0000 0.6782 ( 11348 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0692 -44.0692 -11.0580 -11.0580 -10.6032 -10.6032 -10.5938 -10.5938 -10.4951 -10.4951 -7.4530 -7.4530 -7.4417 -7.4417 -7.4291 -7.4291 -7.3956 -7.3956 -5.2931 -5.2931 -5.2681 -5.2681 -5.2559 -5.2559 -5.2448 -5.2448 -5.2189 -5.2189 -5.2044 -5.2044 -1.3198 -1.3198 -1.0714 -1.0714 -0.9899 -0.9899 -0.8947 -0.8947 0.2173 0.2173 0.2193 0.2193 0.3122 0.3122 0.4375 0.4375 0.4425 0.4425 1.5405 1.5405 1.9293 1.9293 2.0364 2.0364 2.4386 2.4386 2.4594 2.4594 2.6620 2.6620 2.7230 2.7230 2.9446 2.9446 3.1774 3.1774 5.5243 5.5243 6.3586 6.3586 7.7187 7.7187 8.0342 8.0342 8.3521 8.3521 8.4520 8.4520 9.3209 9.3209 k = 0.0000 0.0000 0.7008 ( 11348 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0692 -44.0692 -11.0562 -11.0562 -10.6026 -10.6026 -10.5932 -10.5932 -10.4940 -10.4940 -7.4536 -7.4536 -7.4416 -7.4416 -7.4288 -7.4288 -7.3944 -7.3944 -5.2946 -5.2946 -5.2686 -5.2686 -5.2556 -5.2556 -5.2442 -5.2442 -5.2180 -5.2180 -5.2026 -5.2026 -1.3304 -1.3304 -1.0280 -1.0280 -0.9959 -0.9959 -0.8919 -0.8919 0.2028 0.2028 0.2062 0.2062 0.2640 0.2640 0.4435 0.4435 0.4488 0.4488 1.5325 1.5325 1.9349 1.9349 2.0411 2.0411 2.4382 2.4382 2.4398 2.4398 2.6983 2.6983 2.7230 2.7230 2.9388 2.9388 3.1877 3.1877 5.5249 5.5249 6.3016 6.3016 7.6807 7.6807 8.0646 8.0646 8.3306 8.3306 8.4168 8.4168 9.3822 9.3822 k = 0.0000 0.0000 0.7234 ( 11352 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0692 -44.0692 -11.0546 -11.0546 -10.6020 -10.6020 -10.5927 -10.5927 -10.4929 -10.4929 -7.4541 -7.4541 -7.4416 -7.4416 -7.4286 -7.4286 -7.3934 -7.3934 -5.2958 -5.2958 -5.2690 -5.2690 -5.2554 -5.2554 -5.2438 -5.2438 -5.2172 -5.2172 -5.2010 -5.2010 -1.3397 -1.3397 -1.0006 -1.0006 -0.9896 -0.9896 -0.8873 -0.8873 0.1895 0.1895 0.1950 0.1950 0.2199 0.2199 0.4487 0.4487 0.4542 0.4542 1.5257 1.5257 1.9397 1.9397 2.0452 2.0452 2.4234 2.4234 2.4378 2.4378 2.7143 2.7143 2.7387 2.7387 2.9339 2.9339 3.1968 3.1968 5.5254 5.5254 6.2520 6.2520 7.6485 7.6485 8.0877 8.0877 8.3150 8.3150 8.3863 8.3863 9.4362 9.4362 k = 0.0000 0.0000 0.7460 ( 11356 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0692 -44.0692 -11.0533 -11.0533 -10.6015 -10.6015 -10.5923 -10.5923 -10.4921 -10.4921 -7.4545 -7.4545 -7.4416 -7.4416 -7.4284 -7.4284 -7.3925 -7.3925 -5.2969 -5.2969 -5.2693 -5.2693 -5.2552 -5.2552 -5.2434 -5.2434 -5.2165 -5.2165 -5.1997 -5.1997 -1.3477 -1.3477 -1.0042 -1.0042 -0.9589 -0.9589 -0.8794 -0.8794 0.1713 0.1713 0.1857 0.1857 0.1876 0.1876 0.4531 0.4531 0.4588 0.4588 1.5201 1.5201 1.9437 1.9437 2.0485 2.0485 2.4100 2.4100 2.4376 2.4376 2.7145 2.7145 2.7651 2.7651 2.9299 2.9299 3.2045 3.2045 5.5258 5.5258 6.2104 6.2104 7.6221 7.6221 8.1036 8.1036 8.3053 8.3053 8.3608 8.3608 9.4820 9.4820 k = 0.0000 0.0000 0.7686 ( 11340 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0692 -44.0692 -11.0523 -11.0523 -10.6012 -10.6012 -10.5919 -10.5919 -10.4914 -10.4914 -7.4548 -7.4548 -7.4415 -7.4415 -7.4282 -7.4282 -7.3918 -7.3918 -5.2977 -5.2977 -5.2695 -5.2695 -5.2550 -5.2550 -5.2431 -5.2431 -5.2160 -5.2160 -5.1987 -5.1987 -1.3540 -1.3540 -1.0069 -1.0069 -0.9386 -0.9386 -0.8673 -0.8673 0.1412 0.1412 0.1757 0.1757 0.1784 0.1784 0.4565 0.4565 0.4623 0.4623 1.5157 1.5157 1.9468 1.9468 2.0512 2.0512 2.3997 2.3997 2.4373 2.4373 2.7136 2.7136 2.7872 2.7872 2.9268 2.9268 3.2106 3.2106 5.5261 5.5261 6.1774 6.1774 7.6016 7.6016 8.1133 8.1133 8.3004 8.3004 8.3408 8.3408 9.5186 9.5186 k = 0.0000 0.0000 0.7912 ( 11316 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0692 -44.0692 -11.0515 -11.0515 -10.6009 -10.6009 -10.5917 -10.5917 -10.4909 -10.4909 -7.4549 -7.4549 -7.4414 -7.4414 -7.4281 -7.4281 -7.3912 -7.3912 -5.2982 -5.2982 -5.2697 -5.2697 -5.2549 -5.2549 -5.2428 -5.2428 -5.2155 -5.2155 -5.1979 -5.1979 -1.3587 -1.3587 -1.0087 -1.0087 -0.9278 -0.9278 -0.8533 -0.8533 0.1158 0.1158 0.1694 0.1694 0.1731 0.1731 0.4589 0.4589 0.4649 0.4649 1.5125 1.5125 1.9491 1.9491 2.0531 2.0531 2.3923 2.3923 2.4372 2.4372 2.7128 2.7128 2.8035 2.8035 2.9247 2.9247 3.2150 3.2150 5.5263 5.5263 6.1535 6.1535 7.5869 7.5869 8.1184 8.1184 8.2987 8.2987 8.3263 8.3263 9.5454 9.5454 k = 0.0000 0.0000 0.8138 ( 11320 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0692 -44.0692 -11.0511 -11.0511 -10.6007 -10.6007 -10.5915 -10.5915 -10.4907 -10.4907 -7.4551 -7.4551 -7.4415 -7.4415 -7.4280 -7.4280 -7.3909 -7.3909 -5.2986 -5.2986 -5.2698 -5.2698 -5.2548 -5.2548 -5.2428 -5.2428 -5.2152 -5.2152 -5.1974 -5.1974 -1.3615 -1.3615 -1.0097 -1.0097 -0.9229 -0.9229 -0.8425 -0.8425 0.0996 0.0996 0.1658 0.1658 0.1700 0.1700 0.4604 0.4604 0.4665 0.4665 1.5106 1.5106 1.9505 1.9505 2.0543 2.0543 2.3879 2.3879 2.4371 2.4371 2.7123 2.7123 2.8134 2.8134 2.9233 2.9233 3.2177 3.2177 5.5264 5.5264 6.1390 6.1390 7.5781 7.5781 8.1206 8.1206 8.2986 8.2986 8.3175 8.3175 9.5618 9.5618 k = 0.0000 0.0000 0.8364 ( 11324 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0692 -44.0692 -11.0509 -11.0509 -10.6007 -10.6007 -10.5915 -10.5915 -10.4906 -10.4906 -7.4552 -7.4552 -7.4415 -7.4415 -7.4280 -7.4280 -7.3908 -7.3908 -5.2987 -5.2987 -5.2699 -5.2699 -5.2548 -5.2548 -5.2428 -5.2428 -5.2152 -5.2152 -5.1973 -5.1973 -1.3625 -1.3625 -1.0100 -1.0100 -0.9215 -0.9215 -0.8385 -0.8385 0.0940 0.0940 0.1646 0.1646 0.1689 0.1689 0.4609 0.4609 0.4670 0.4670 1.5100 1.5100 1.9510 1.9510 2.0547 2.0547 2.3864 2.3864 2.4371 2.4371 2.7121 2.7121 2.8167 2.8167 2.9229 2.9229 3.2186 3.2186 5.5265 5.5265 6.1341 6.1341 7.5751 7.5751 8.1212 8.1212 8.2987 8.2987 8.3146 8.3146 9.5672 9.5672 k = 0.0000 0.0000 0.8364 ( 11324 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0692 -44.0692 -11.0509 -11.0509 -10.6007 -10.6007 -10.5915 -10.5915 -10.4906 -10.4906 -7.4552 -7.4552 -7.4415 -7.4415 -7.4280 -7.4280 -7.3908 -7.3908 -5.2987 -5.2987 -5.2699 -5.2699 -5.2548 -5.2548 -5.2428 -5.2428 -5.2152 -5.2152 -5.1973 -5.1973 -1.3625 -1.3625 -1.0100 -1.0100 -0.9215 -0.9215 -0.8385 -0.8385 0.0940 0.0940 0.1646 0.1646 0.1689 0.1689 0.4609 0.4609 0.4670 0.4670 1.5100 1.5100 1.9510 1.9510 2.0547 2.0547 2.3864 2.3864 2.4371 2.4371 2.7121 2.7121 2.8167 2.8167 2.9229 2.9229 3.2186 3.2186 5.5265 5.5265 6.1341 6.1341 7.5751 7.5751 8.1212 8.1212 8.2987 8.2987 8.3146 8.3146 9.5670 9.5673 k = 0.0000 0.0227 0.8364 ( 11322 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0692 -44.0692 -11.0507 -11.0507 -10.6007 -10.6007 -10.5915 -10.5915 -10.4907 -10.4907 -7.4551 -7.4551 -7.4414 -7.4414 -7.4280 -7.4280 -7.3908 -7.3908 -5.2986 -5.2986 -5.2698 -5.2698 -5.2548 -5.2548 -5.2427 -5.2427 -5.2153 -5.2153 -5.1974 -5.1974 -1.3616 -1.3616 -1.0093 -1.0093 -0.9217 -0.9217 -0.8378 -0.8378 0.0589 0.0589 0.1672 0.1672 0.2028 0.2028 0.4610 0.4610 0.4676 0.4676 1.5086 1.5086 1.9477 1.9477 2.0512 2.0512 2.3904 2.3904 2.4361 2.4361 2.7092 2.7092 2.8141 2.8141 2.9267 2.9267 3.2189 3.2189 5.5253 5.5253 6.1376 6.1376 7.5770 7.5770 8.1200 8.1200 8.2846 8.2846 8.3297 8.3297 9.5640 9.5640 k = 0.0000 0.0455 0.8364 ( 11334 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0692 -44.0692 -11.0502 -11.0502 -10.6009 -10.6009 -10.5916 -10.5916 -10.4911 -10.4911 -7.4551 -7.4551 -7.4414 -7.4414 -7.4281 -7.4281 -7.3911 -7.3911 -5.2984 -5.2984 -5.2698 -5.2698 -5.2549 -5.2549 -5.2426 -5.2426 -5.2156 -5.2156 -5.1976 -5.1976 -1.3591 -1.3591 -1.0069 -1.0069 -0.9222 -0.9222 -0.8354 -0.8354 0.0028 0.0028 0.1689 0.1689 0.2614 0.2614 0.4598 0.4598 0.4710 0.4710 1.5044 1.5044 1.9368 1.9368 2.0424 2.0424 2.4012 2.4012 2.4332 2.4332 2.7000 2.7000 2.8083 2.8083 2.9367 2.9367 3.2199 3.2199 5.5217 5.5217 6.1481 6.1481 7.5828 7.5828 8.1163 8.1163 8.2668 8.2668 8.3510 8.3510 9.5551 9.5551 k = 0.0000 0.0682 0.8364 ( 11354 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0693 -44.0693 -11.0494 -11.0494 -10.6012 -10.6012 -10.5916 -10.5916 -10.4918 -10.4918 -7.4550 -7.4550 -7.4412 -7.4412 -7.4281 -7.4281 -7.3914 -7.3914 -5.2979 -5.2979 -5.2697 -5.2697 -5.2550 -5.2550 -5.2424 -5.2424 -5.2163 -5.2163 -5.1979 -5.1979 -1.3550 -1.3550 -1.0031 -1.0031 -0.9232 -0.9232 -0.8312 -0.8312 -0.0552 -0.0552 0.1717 0.1717 0.3238 0.3238 0.4563 0.4563 0.4780 0.4780 1.4976 1.4976 1.9165 1.9165 2.0326 2.0326 2.4170 2.4170 2.4286 2.4286 2.6836 2.6836 2.8031 2.8031 2.9498 2.9498 3.2216 3.2216 5.5159 5.5159 6.1653 6.1653 7.5924 7.5924 8.1089 8.1089 8.2519 8.2519 8.3728 8.3728 9.5403 9.5403 k = 0.0000 0.0909 0.8364 ( 11358 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0693 -44.0693 -11.0483 -11.0483 -10.6020 -10.6020 -10.5913 -10.5913 -10.4928 -10.4928 -7.4548 -7.4548 -7.4410 -7.4410 -7.4282 -7.4282 -7.3919 -7.3919 -5.2973 -5.2973 -5.2696 -5.2696 -5.2551 -5.2551 -5.2421 -5.2421 -5.2170 -5.2170 -5.1984 -5.1984 -1.3491 -1.3491 -0.9981 -0.9981 -0.9249 -0.9249 -0.8247 -0.8247 -0.1131 -0.1131 0.1755 0.1755 0.3877 0.3877 0.4511 0.4511 0.4881 0.4881 1.4883 1.4883 1.8857 1.8857 2.0250 2.0250 2.4217 2.4217 2.4358 2.4358 2.6601 2.6601 2.8007 2.8007 2.9641 2.9641 3.2238 3.2238 5.5079 5.5079 6.1892 6.1892 7.6056 7.6056 8.0966 8.0966 8.2416 8.2416 8.3944 8.3944 9.5198 9.5198 k = 0.0000 0.1136 0.8364 ( 11354 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0693 -44.0693 -11.0468 -11.0468 -10.6031 -10.6031 -10.5908 -10.5908 -10.4940 -10.4940 -7.4546 -7.4546 -7.4408 -7.4408 -7.4282 -7.4282 -7.3924 -7.3924 -5.2965 -5.2965 -5.2694 -5.2694 -5.2553 -5.2553 -5.2418 -5.2418 -5.2180 -5.2180 -5.1989 -5.1989 -1.3416 -1.3416 -0.9919 -0.9919 -0.9276 -0.9276 -0.8157 -0.8157 -0.1702 -0.1702 0.1803 0.1803 0.4434 0.4434 0.4536 0.4536 0.5010 0.5010 1.4767 1.4767 1.8460 1.8460 2.0203 2.0203 2.4135 2.4135 2.4552 2.4552 2.6306 2.6306 2.8013 2.8013 2.9784 2.9784 3.2266 3.2266 5.4981 5.4981 6.2193 6.2193 7.6226 7.6226 8.0787 8.0787 8.2367 8.2367 8.4155 8.4155 9.4940 9.4940 k = 0.0000 0.1364 0.8364 ( 11362 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0693 -44.0693 -11.0451 -11.0451 -10.6047 -10.6047 -10.5899 -10.5899 -10.4955 -10.4955 -7.4543 -7.4543 -7.4406 -7.4406 -7.4282 -7.4282 -7.3931 -7.3931 -5.2955 -5.2955 -5.2692 -5.2692 -5.2555 -5.2555 -5.2414 -5.2414 -5.2191 -5.2191 -5.1996 -5.1996 -1.3325 -1.3325 -0.9850 -0.9850 -0.9311 -0.9311 -0.8039 -0.8039 -0.2265 -0.2265 0.1860 0.1860 0.4360 0.4360 0.5159 0.5159 0.5190 0.5190 1.4630 1.4630 1.7996 1.7996 2.0178 2.0178 2.4036 2.4036 2.4739 2.4739 2.5968 2.5968 2.8041 2.8041 2.9920 2.9920 3.2297 3.2297 5.4865 5.4865 6.2554 6.2554 7.6431 7.6431 8.0555 8.0555 8.2367 8.2367 8.4359 8.4359 9.4632 9.4632 k = 0.0000 0.1591 0.8364 ( 11366 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0693 -44.0693 -11.0431 -11.0431 -10.6067 -10.6067 -10.5886 -10.5886 -10.4972 -10.4972 -7.4540 -7.4540 -7.4403 -7.4403 -7.4281 -7.4281 -7.3939 -7.3939 -5.2943 -5.2943 -5.2690 -5.2690 -5.2557 -5.2557 -5.2408 -5.2408 -5.2205 -5.2205 -5.2004 -5.2004 -1.3217 -1.3217 -0.9774 -0.9774 -0.9355 -0.9355 -0.7893 -0.7893 -0.2818 -0.2818 0.1925 0.1925 0.4268 0.4268 0.5334 0.5334 0.5852 0.5852 1.4476 1.4476 1.7484 1.7484 2.0168 2.0168 2.3921 2.3921 2.4892 2.4892 2.5616 2.5616 2.8086 2.8086 3.0048 3.0048 3.2332 3.2332 5.4735 5.4735 6.2971 6.2971 7.6669 7.6669 8.0279 8.0279 8.2408 8.2408 8.4553 8.4553 9.4278 9.4278 k = 0.0000 0.1818 0.8364 ( 11374 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0693 -44.0693 -11.0409 -11.0409 -10.6091 -10.6091 -10.5870 -10.5870 -10.4991 -10.4991 -7.4536 -7.4536 -7.4401 -7.4401 -7.4280 -7.4280 -7.3948 -7.3948 -5.2930 -5.2930 -5.2687 -5.2687 -5.2561 -5.2561 -5.2403 -5.2403 -5.2220 -5.2220 -5.2013 -5.2013 -1.3092 -1.3092 -0.9698 -0.9698 -0.9404 -0.9404 -0.7718 -0.7718 -0.3360 -0.3360 0.1999 0.1999 0.4166 0.4166 0.5525 0.5525 0.6522 0.6522 1.4307 1.4307 1.6940 1.6940 2.0166 2.0166 2.3792 2.3792 2.4885 2.4885 2.5379 2.5379 2.8141 2.8141 3.0167 3.0167 3.2369 3.2369 5.4593 5.4593 6.3438 6.3438 7.6940 7.6940 7.9966 7.9966 8.2480 8.2480 8.4736 8.4736 9.3883 9.3883 k = 0.0000 0.2045 0.8364 ( 11382 PWs) bands (ev): -80.0682 -80.0682 -48.9274 -48.9274 -44.7322 -44.7322 -44.0693 -44.0693 -11.0386 -11.0386 -10.6117 -10.6117 -10.5851 -10.5851 -10.5013 -10.5013 -7.4532 -7.4532 -7.4399 -7.4399 -7.4278 -7.4278 -7.3958 -7.3958 -5.2915 -5.2915 -5.2684 -5.2684 -5.2564 -5.2564 -5.2398 -5.2398 -5.2236 -5.2236 -5.2022 -5.2022 -1.2952 -1.2952 -0.9631 -0.9631 -0.9447 -0.9447 -0.7518 -0.7518 -0.3891 -0.3891 0.2079 0.2079 0.4055 0.4055 0.5729 0.5729 0.7196 0.7196 1.4126 1.4126 1.6375 1.6375 2.0172 2.0172 2.3652 2.3652 2.4556 2.4556 2.5421 2.5421 2.8203 2.8203 3.0275 3.0275 3.2407 3.2407 5.4443 5.4443 6.3952 6.3952 7.7239 7.7239 7.9623 7.9623 8.2573 8.2573 8.4905 8.4905 9.3451 9.3451 k = 0.0000 0.2273 0.8364 ( 11380 PWs) bands (ev): -80.0682 -80.0682 -48.9274 -48.9274 -44.7322 -44.7322 -44.0693 -44.0693 -11.0361 -11.0361 -10.6145 -10.6145 -10.5829 -10.5829 -10.5038 -10.5038 -7.4527 -7.4527 -7.4398 -7.4398 -7.4275 -7.4275 -7.3969 -7.3969 -5.2899 -5.2899 -5.2680 -5.2680 -5.2568 -5.2568 -5.2392 -5.2392 -5.2252 -5.2252 -5.2033 -5.2033 -1.2795 -1.2795 -0.9607 -0.9607 -0.9449 -0.9449 -0.7295 -0.7295 -0.4411 -0.4411 0.2165 0.2165 0.3939 0.3939 0.5944 0.5944 0.7875 0.7875 1.3937 1.3937 1.5801 1.5801 2.0181 2.0181 2.3502 2.3502 2.4104 2.4104 2.5548 2.5548 2.8268 2.8268 3.0374 3.0374 3.2445 3.2445 5.4287 5.4287 6.4507 6.4507 7.7563 7.7563 7.9255 7.9255 8.2683 8.2683 8.5057 8.5057 9.2989 9.2989 k = 0.0000 0.2500 0.8364 ( 11382 PWs) bands (ev): -80.0682 -80.0682 -48.9274 -48.9274 -44.7322 -44.7322 -44.0693 -44.0693 -11.0335 -11.0335 -10.6175 -10.6175 -10.5805 -10.5805 -10.5064 -10.5064 -7.4522 -7.4522 -7.4398 -7.4398 -7.4271 -7.4271 -7.3980 -7.3980 -5.2881 -5.2881 -5.2676 -5.2676 -5.2572 -5.2572 -5.2387 -5.2387 -5.2268 -5.2268 -5.2044 -5.2044 -1.2621 -1.2621 -0.9644 -0.9644 -0.9393 -0.9393 -0.7053 -0.7053 -0.4918 -0.4918 0.2254 0.2254 0.3819 0.3819 0.6165 0.6165 0.8555 0.8555 1.3742 1.3742 1.5226 1.5226 2.0193 2.0193 2.3341 2.3341 2.3613 2.3613 2.5679 2.5679 2.8334 2.8334 3.0463 3.0463 3.2482 3.2482 5.4130 5.4130 6.5098 6.5098 7.7895 7.7895 7.8879 7.8879 8.2803 8.2803 8.5191 8.5191 9.2502 9.2502 k = 0.0000 0.2727 0.8364 ( 11372 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0693 -44.0693 -11.0309 -11.0309 -10.6205 -10.6205 -10.5779 -10.5779 -10.5092 -10.5092 -7.4516 -7.4516 -7.4398 -7.4398 -7.4265 -7.4265 -7.3993 -7.3993 -5.2862 -5.2862 -5.2671 -5.2671 -5.2576 -5.2576 -5.2385 -5.2385 -5.2282 -5.2282 -5.2056 -5.2056 -1.2432 -1.2432 -0.9701 -0.9701 -0.9317 -0.9317 -0.6797 -0.6797 -0.5412 -0.5412 0.2346 0.2346 0.3697 0.3697 0.6387 0.6387 0.9236 0.9236 1.3544 1.3544 1.4662 1.4662 2.0207 2.0207 2.3069 2.3069 2.3203 2.3203 2.5803 2.5803 2.8400 2.8400 3.0543 3.0543 3.2519 3.2519 5.3974 5.3974 6.5720 6.5720 7.8119 7.8119 7.8610 7.8610 8.2929 8.2929 8.5305 8.5305 9.1996 9.1996 k = 0.0000 0.2955 0.8364 ( 11384 PWs) bands (ev): -80.0682 -80.0682 -48.9274 -48.9274 -44.7322 -44.7322 -44.0693 -44.0693 -11.0283 -11.0283 -10.6235 -10.6235 -10.5751 -10.5751 -10.5121 -10.5121 -7.4510 -7.4510 -7.4400 -7.4400 -7.4258 -7.4258 -7.4006 -7.4006 -5.2842 -5.2842 -5.2666 -5.2666 -5.2581 -5.2581 -5.2389 -5.2389 -5.2292 -5.2292 -5.2070 -5.2070 -1.2227 -1.2227 -0.9763 -0.9763 -0.9240 -0.9240 -0.6533 -0.6533 -0.5892 -0.5892 0.2439 0.2439 0.3575 0.3575 0.6608 0.6608 0.9915 0.9915 1.3342 1.3342 1.4119 1.4119 2.0221 2.0221 2.2541 2.2541 2.3029 2.3029 2.5915 2.5915 2.8462 2.8462 3.0614 3.0614 3.2553 3.2553 5.3822 5.3822 6.6368 6.6368 7.7858 7.7858 7.8821 7.8821 8.3054 8.3054 8.5398 8.5398 9.1480 9.1480 k = 0.0000 0.3182 0.8364 ( 11380 PWs) bands (ev): -80.0682 -80.0682 -48.9274 -48.9274 -44.7322 -44.7322 -44.0693 -44.0693 -11.0258 -11.0258 -10.6265 -10.6265 -10.5721 -10.5721 -10.5153 -10.5153 -7.4504 -7.4504 -7.4403 -7.4403 -7.4249 -7.4249 -7.4020 -7.4020 -5.2820 -5.2820 -5.2661 -5.2661 -5.2587 -5.2587 -5.2398 -5.2398 -5.2295 -5.2295 -5.2083 -5.2083 -1.2005 -1.2005 -0.9823 -0.9823 -0.9164 -0.9164 -0.6389 -0.6389 -0.6237 -0.6237 0.2530 0.2530 0.3457 0.3457 0.6821 0.6821 1.0591 1.0591 1.3127 1.3127 1.3622 1.3622 2.0233 2.0233 2.1990 2.1990 2.2867 2.2867 2.6014 2.6014 2.8520 2.8520 3.0678 3.0678 3.2586 3.2586 5.3678 5.3678 6.7036 6.7036 7.7408 7.7408 7.9213 7.9213 8.3173 8.3173 8.5471 8.5471 9.0960 9.0960 k = 0.0000 0.3409 0.8364 ( 11372 PWs) bands (ev): -80.0682 -80.0682 -48.9274 -48.9274 -44.7322 -44.7322 -44.0693 -44.0693 -11.0234 -11.0234 -10.6293 -10.6293 -10.5690 -10.5690 -10.5186 -10.5186 -7.4498 -7.4498 -7.4406 -7.4406 -7.4238 -7.4238 -7.4034 -7.4034 -5.2798 -5.2798 -5.2655 -5.2655 -5.2592 -5.2592 -5.2414 -5.2414 -5.2292 -5.2292 -5.2097 -5.2097 -1.1769 -1.1769 -0.9880 -0.9880 -0.9093 -0.9093 -0.6826 -0.6826 -0.5990 -0.5990 0.2618 0.2618 0.3344 0.3344 0.7024 0.7024 1.1258 1.1258 1.2857 1.2857 1.3225 1.3225 2.0240 2.0240 2.1434 2.1434 2.2711 2.2711 2.6101 2.6101 2.8574 2.8574 3.0733 3.0733 3.2616 3.2616 5.3544 5.3544 6.7720 6.7720 7.6912 7.6912 7.9642 7.9642 8.3276 8.3276 8.5526 8.5526 9.0445 9.0445 k = 0.0000 0.3636 0.8364 ( 11370 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0693 -44.0693 -11.0212 -11.0212 -10.6318 -10.6318 -10.5657 -10.5657 -10.5219 -10.5219 -7.4491 -7.4491 -7.4410 -7.4410 -7.4227 -7.4227 -7.4049 -7.4049 -5.2775 -5.2775 -5.2649 -5.2649 -5.2597 -5.2597 -5.2434 -5.2434 -5.2284 -5.2284 -5.2111 -5.2111 -1.1517 -1.1517 -0.9932 -0.9932 -0.9028 -0.9028 -0.7267 -0.7267 -0.5737 -0.5737 0.2701 0.2701 0.3238 0.3238 0.7210 0.7210 1.1897 1.1897 1.2513 1.2513 1.2977 1.2977 2.0222 2.0222 2.0894 2.0894 2.2565 2.2565 2.6176 2.6176 2.8621 2.8621 3.0780 3.0780 3.2642 3.2642 5.3423 5.3423 6.8415 6.8415 7.6385 7.6385 8.0086 8.0086 8.3354 8.3354 8.5567 8.5567 8.9946 8.9946 k = 0.0000 0.3864 0.8364 ( 11362 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0693 -44.0693 -11.0192 -11.0192 -10.6342 -10.6342 -10.5623 -10.5623 -10.5254 -10.5254 -7.4484 -7.4484 -7.4416 -7.4416 -7.4215 -7.4215 -7.4063 -7.4063 -5.2751 -5.2751 -5.2642 -5.2642 -5.2604 -5.2604 -5.2457 -5.2457 -5.2274 -5.2274 -5.2125 -5.2125 -1.1250 -1.1250 -0.9978 -0.9978 -0.8971 -0.8971 -0.7695 -0.7695 -0.5501 -0.5501 0.2775 0.2775 0.3143 0.3143 0.7376 0.7376 1.2063 1.2063 1.2590 1.2590 1.2833 1.2833 2.0064 2.0064 2.0496 2.0496 2.2433 2.2433 2.6239 2.6239 2.8662 2.8662 3.0820 3.0820 3.2665 3.2665 5.3316 5.3316 6.9115 6.9115 7.5833 7.5833 8.0536 8.0536 8.3395 8.3395 8.5603 8.5603 8.9474 8.9474 k = 0.0000 0.4091 0.8364 ( 11364 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0693 -44.0693 -11.0175 -11.0175 -10.6361 -10.6361 -10.5588 -10.5588 -10.5290 -10.5290 -7.4477 -7.4477 -7.4421 -7.4421 -7.4203 -7.4203 -7.4078 -7.4078 -5.2728 -5.2728 -5.2634 -5.2634 -5.2611 -5.2611 -5.2482 -5.2482 -5.2263 -5.2263 -5.2140 -5.2140 -1.0969 -1.0969 -1.0016 -1.0016 -0.8922 -0.8922 -0.8107 -0.8107 -0.5293 -0.5293 0.2840 0.2840 0.3061 0.3061 0.7518 0.7518 1.1749 1.1749 1.2655 1.2655 1.3234 1.3234 1.9616 1.9616 2.0398 2.0398 2.2317 2.2317 2.6289 2.6289 2.8697 2.8697 3.0852 3.0852 3.2684 3.2684 5.3226 5.3226 6.9815 6.9815 7.5259 7.5259 8.0984 8.0984 8.3383 8.3383 8.5638 8.5638 8.9044 8.9044 k = 0.0000 0.4318 0.8364 ( 11364 PWs) bands (ev): -80.0682 -80.0682 -48.9274 -48.9274 -44.7322 -44.7322 -44.0693 -44.0693 -11.0161 -11.0161 -10.6377 -10.6377 -10.5552 -10.5552 -10.5326 -10.5326 -7.4470 -7.4470 -7.4428 -7.4428 -7.4189 -7.4189 -7.4093 -7.4093 -5.2705 -5.2705 -5.2624 -5.2624 -5.2618 -5.2618 -5.2507 -5.2507 -5.2250 -5.2250 -5.2155 -5.2155 -1.0676 -1.0676 -1.0047 -1.0047 -0.8884 -0.8884 -0.8504 -0.8504 -0.5120 -0.5120 0.2893 0.2893 0.2994 0.2994 0.7633 0.7633 1.1477 1.1477 1.2560 1.2560 1.3801 1.3801 1.9108 1.9108 2.0386 2.0386 2.2222 2.2222 2.6328 2.6328 2.8723 2.8723 3.0878 3.0878 3.2699 3.2699 5.3154 5.3154 7.0507 7.0507 7.4667 7.4667 8.1421 8.1421 8.3309 8.3309 8.5679 8.5679 8.8673 8.8673 k = 0.0000 0.4545 0.8364 ( 11360 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0693 -44.0693 -11.0151 -11.0151 -10.6389 -10.6389 -10.5516 -10.5516 -10.5363 -10.5363 -7.4462 -7.4462 -7.4434 -7.4434 -7.4176 -7.4176 -7.4108 -7.4108 -5.2684 -5.2684 -5.2627 -5.2627 -5.2613 -5.2613 -5.2531 -5.2531 -5.2237 -5.2237 -5.2169 -5.2169 -1.0375 -1.0375 -1.0068 -1.0068 -0.8885 -0.8885 -0.8849 -0.8849 -0.4990 -0.4990 0.2930 0.2930 0.2947 0.2947 0.7717 0.7717 1.1273 1.1273 1.2489 1.2489 1.4299 1.4299 1.8647 1.8647 2.0388 2.0388 2.2151 2.2151 2.6356 2.6356 2.8743 2.8743 3.0896 3.0896 3.2710 3.2710 5.3102 5.3102 7.1179 7.1179 7.4069 7.4069 8.1832 8.1832 8.3169 8.3169 8.5722 8.5722 8.8381 8.8381 k = 0.0000 0.4773 0.8364 ( 11338 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0693 -44.0693 -11.0145 -11.0145 -10.6396 -10.6396 -10.5481 -10.5481 -10.5398 -10.5398 -7.4454 -7.4454 -7.4441 -7.4441 -7.4163 -7.4163 -7.4121 -7.4121 -5.2665 -5.2665 -5.2636 -5.2636 -5.2599 -5.2599 -5.2553 -5.2553 -5.2225 -5.2225 -5.2181 -5.2181 -1.0107 -1.0107 -1.0053 -1.0053 -0.9221 -0.9221 -0.8837 -0.8837 -0.4909 -0.4909 0.2913 0.2913 0.2957 0.2957 0.7768 0.7768 1.1148 1.1148 1.2446 1.2446 1.4662 1.4662 1.8306 1.8306 2.0391 2.0391 2.2107 2.2107 2.6373 2.6373 2.8754 2.8754 3.0907 3.0907 3.2717 3.2717 5.3071 5.3071 7.1792 7.1792 7.3500 7.3500 8.2192 8.2192 8.2975 8.2975 8.5757 8.5757 8.8193 8.8193 k = 0.0000 0.5000 0.8364 ( 11348 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0693 -44.0693 -11.0142 -11.0142 -10.6399 -10.6399 -10.5457 -10.5457 -10.5422 -10.5422 -7.4448 -7.4448 -7.4447 -7.4447 -7.4157 -7.4157 -7.4127 -7.4127 -5.2654 -5.2654 -5.2644 -5.2644 -5.2589 -5.2589 -5.2566 -5.2566 -5.2220 -5.2220 -5.2188 -5.2188 -1.0093 -1.0093 -0.9894 -0.9894 -0.9414 -0.9414 -0.8831 -0.8831 -0.4882 -0.4882 0.2903 0.2903 0.2965 0.2965 0.7785 0.7785 1.1105 1.1105 1.2431 1.2431 1.4799 1.4799 1.8176 1.8176 2.0393 2.0393 2.2092 2.2092 2.6378 2.6378 2.8758 2.8758 3.0910 3.0910 3.2719 3.2719 5.3060 5.3060 7.2130 7.2130 7.3177 7.3177 8.2386 8.2386 8.2836 8.2836 8.5771 8.5771 8.8127 8.8127 k = 0.0000 0.5000 0.8364 ( 11348 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0693 -44.0693 -11.0142 -11.0142 -10.6399 -10.6399 -10.5457 -10.5457 -10.5422 -10.5422 -7.4448 -7.4448 -7.4447 -7.4447 -7.4157 -7.4157 -7.4127 -7.4127 -5.2654 -5.2654 -5.2644 -5.2644 -5.2589 -5.2589 -5.2566 -5.2566 -5.2220 -5.2220 -5.2188 -5.2188 -1.0093 -1.0093 -0.9894 -0.9894 -0.9414 -0.9414 -0.8831 -0.8831 -0.4882 -0.4882 0.2903 0.2903 0.2965 0.2965 0.7785 0.7785 1.1105 1.1105 1.2431 1.2431 1.4799 1.4799 1.8176 1.8176 2.0393 2.0393 2.2092 2.2092 2.6378 2.6378 2.8758 2.8758 3.0910 3.0910 3.2719 3.2719 5.3060 5.3060 7.2130 7.2130 7.3177 7.3177 8.2386 8.2386 8.2836 8.2836 8.5771 8.5771 8.8127 8.8127 k = 0.0227 0.5000 0.8364 ( 11332 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0693 -44.0693 -11.0141 -11.0141 -10.6397 -10.6397 -10.5460 -10.5460 -10.5423 -10.5423 -7.4450 -7.4450 -7.4446 -7.4446 -7.4158 -7.4158 -7.4125 -7.4125 -5.2655 -5.2655 -5.2644 -5.2644 -5.2589 -5.2589 -5.2567 -5.2567 -5.2220 -5.2220 -5.2184 -5.2184 -1.0099 -1.0099 -0.9891 -0.9891 -0.9413 -0.9413 -0.8819 -0.8819 -0.4875 -0.4875 0.2919 0.2919 0.2968 0.2968 0.7779 0.7779 1.1107 1.1107 1.2414 1.2414 1.4804 1.4804 1.8158 1.8158 2.0328 2.0328 2.2083 2.2083 2.6423 2.6423 2.8774 2.8774 3.0926 3.0926 3.2723 3.2723 5.3042 5.3042 7.2130 7.2130 7.3177 7.3177 8.2389 8.2389 8.2841 8.2841 8.5767 8.5767 8.8062 8.8062 k = 0.0455 0.5000 0.8364 ( 11332 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0693 -44.0693 -11.0136 -11.0136 -10.6394 -10.6394 -10.5466 -10.5466 -10.5426 -10.5426 -7.4452 -7.4452 -7.4444 -7.4444 -7.4161 -7.4161 -7.4121 -7.4121 -5.2656 -5.2656 -5.2645 -5.2645 -5.2591 -5.2591 -5.2569 -5.2569 -5.2222 -5.2222 -5.2177 -5.2177 -1.0118 -1.0118 -0.9882 -0.9882 -0.9411 -0.9411 -0.8785 -0.8785 -0.4854 -0.4854 0.2966 0.2966 0.2976 0.2976 0.7758 0.7758 1.1110 1.1110 1.2364 1.2364 1.4819 1.4819 1.8105 1.8105 2.0139 2.0139 2.2056 2.2056 2.6548 2.6548 2.8819 2.8819 3.0973 3.0973 3.2734 3.2734 5.2989 5.2989 7.2130 7.2130 7.3179 7.3179 8.2398 8.2398 8.2855 8.2855 8.5755 8.5755 8.7877 8.7877 k = 0.0682 0.5000 0.8364 ( 11344 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0693 -44.0693 -11.0128 -11.0128 -10.6388 -10.6388 -10.5477 -10.5477 -10.5432 -10.5432 -7.4456 -7.4456 -7.4445 -7.4445 -7.4165 -7.4165 -7.4115 -7.4115 -5.2659 -5.2659 -5.2648 -5.2648 -5.2593 -5.2593 -5.2571 -5.2571 -5.2223 -5.2223 -5.2166 -5.2166 -1.0149 -1.0149 -0.9868 -0.9868 -0.9407 -0.9407 -0.8729 -0.8729 -0.4818 -0.4818 0.2987 0.2987 0.3047 0.3047 0.7724 0.7724 1.1115 1.1115 1.2284 1.2284 1.4841 1.4841 1.8019 1.8019 1.9845 1.9845 2.2011 2.2011 2.6740 2.6740 2.8893 2.8893 3.1049 3.1049 3.2753 3.2753 5.2902 5.2902 7.2128 7.2128 7.3182 7.3182 8.2413 8.2413 8.2879 8.2879 8.5737 8.5737 8.7599 8.7599 k = 0.0909 0.5000 0.8364 ( 11336 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0693 -44.0693 -11.0117 -11.0117 -10.6380 -10.6380 -10.5491 -10.5491 -10.5440 -10.5440 -7.4459 -7.4459 -7.4445 -7.4445 -7.4169 -7.4169 -7.4109 -7.4109 -5.2663 -5.2663 -5.2651 -5.2651 -5.2596 -5.2596 -5.2575 -5.2575 -5.2223 -5.2223 -5.2154 -5.2154 -1.0192 -1.0192 -0.9848 -0.9848 -0.9401 -0.9401 -0.8651 -0.8651 -0.4768 -0.4768 0.3003 0.3003 0.3155 0.3155 0.7676 0.7676 1.1122 1.1122 1.2177 1.2177 1.4868 1.4868 1.7902 1.7902 1.9465 1.9465 2.1949 2.1949 2.6980 2.6980 2.8992 2.8992 3.1154 3.1154 3.2778 3.2778 5.2784 5.2784 7.2121 7.2121 7.3189 7.3189 8.2433 8.2433 8.2911 8.2911 8.5712 8.5712 8.7257 8.7257 k = 0.1136 0.5000 0.8364 ( 11348 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0693 -44.0693 -11.0103 -11.0103 -10.6369 -10.6369 -10.5509 -10.5509 -10.5450 -10.5450 -7.4463 -7.4463 -7.4446 -7.4446 -7.4173 -7.4173 -7.4102 -7.4102 -5.2670 -5.2670 -5.2655 -5.2655 -5.2598 -5.2598 -5.2579 -5.2579 -5.2222 -5.2222 -5.2140 -5.2140 -1.0245 -1.0245 -0.9823 -0.9823 -0.9395 -0.9395 -0.8552 -0.8552 -0.4704 -0.4704 0.3024 0.3024 0.3291 0.3291 0.7617 0.7617 1.1127 1.1127 1.2051 1.2051 1.4899 1.4899 1.7755 1.7755 1.9023 1.9023 2.1869 2.1869 2.7249 2.7249 2.9111 2.9111 3.1284 3.1284 3.2811 3.2811 5.2636 5.2636 7.2108 7.2108 7.3199 7.3199 8.2458 8.2458 8.2952 8.2952 8.5683 8.5683 8.6879 8.6879 k = 0.1364 0.5000 0.8364 ( 11344 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0693 -44.0693 -11.0086 -11.0086 -10.6356 -10.6356 -10.5530 -10.5530 -10.5462 -10.5462 -7.4466 -7.4466 -7.4447 -7.4447 -7.4176 -7.4176 -7.4095 -7.4095 -5.2679 -5.2679 -5.2658 -5.2658 -5.2600 -5.2600 -5.2583 -5.2583 -5.2219 -5.2219 -5.2125 -5.2125 -1.0307 -1.0307 -0.9792 -0.9792 -0.9387 -0.9387 -0.8436 -0.8436 -0.4625 -0.4625 0.3049 0.3049 0.3451 0.3451 0.7547 0.7547 1.1130 1.1130 1.1911 1.1911 1.4930 1.4930 1.7580 1.7580 1.8539 1.8539 2.1773 2.1773 2.7534 2.7534 2.9248 2.9248 3.1436 3.1436 3.2851 3.2851 5.2463 5.2463 7.2085 7.2085 7.3216 7.3216 8.2488 8.2488 8.3001 8.3001 8.5649 8.5649 8.6485 8.6485 k = 0.1591 0.5000 0.8364 ( 11332 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0693 -44.0693 -11.0067 -11.0067 -10.6341 -10.6341 -10.5554 -10.5554 -10.5477 -10.5477 -7.4470 -7.4470 -7.4449 -7.4449 -7.4178 -7.4178 -7.4087 -7.4087 -5.2689 -5.2689 -5.2662 -5.2662 -5.2601 -5.2601 -5.2587 -5.2587 -5.2215 -5.2215 -5.2110 -5.2110 -1.0377 -1.0377 -0.9757 -0.9757 -0.9378 -0.9378 -0.8304 -0.8304 -0.4532 -0.4532 0.3078 0.3078 0.3633 0.3633 0.7466 0.7466 1.1124 1.1124 1.1766 1.1766 1.4960 1.4960 1.7370 1.7370 1.8040 1.8040 2.1663 2.1663 2.7823 2.7823 2.9396 2.9396 3.1606 3.1606 3.2898 3.2898 5.2269 5.2269 7.2050 7.2050 7.3238 7.3238 8.2522 8.2522 8.3057 8.3057 8.5612 8.5612 8.6092 8.6092 k = 0.1818 0.5000 0.8364 ( 11324 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0693 -44.0693 -11.0046 -11.0046 -10.6324 -10.6324 -10.5580 -10.5580 -10.5494 -10.5494 -7.4474 -7.4474 -7.4452 -7.4452 -7.4180 -7.4180 -7.4080 -7.4080 -5.2702 -5.2702 -5.2666 -5.2666 -5.2602 -5.2602 -5.2592 -5.2592 -5.2210 -5.2210 -5.2095 -5.2095 -1.0452 -1.0452 -0.9719 -0.9719 -0.9368 -0.9368 -0.8159 -0.8159 -0.4423 -0.4423 0.3110 0.3110 0.3833 0.3833 0.7377 0.7377 1.1099 1.1099 1.1632 1.1632 1.4987 1.4987 1.7087 1.7087 1.7579 1.7579 2.1540 2.1540 2.8109 2.8109 2.9551 2.9551 3.1791 3.1791 3.2952 3.2952 5.2058 5.2058 7.2002 7.2002 7.3267 7.3267 8.2559 8.2559 8.3118 8.3118 8.5563 8.5563 8.5721 8.5721 k = 0.2045 0.5000 0.8364 ( 11340 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0693 -44.0693 -11.0023 -11.0023 -10.6305 -10.6305 -10.5608 -10.5608 -10.5513 -10.5513 -7.4478 -7.4478 -7.4456 -7.4456 -7.4182 -7.4182 -7.4073 -7.4073 -5.2715 -5.2715 -5.2670 -5.2670 -5.2603 -5.2603 -5.2596 -5.2596 -5.2205 -5.2205 -5.2080 -5.2080 -1.0531 -1.0531 -0.9678 -0.9678 -0.9357 -0.9357 -0.8004 -0.8004 -0.4300 -0.4300 0.3145 0.3145 0.4047 0.4047 0.7281 0.7281 1.1039 1.1039 1.1527 1.1527 1.5008 1.5008 1.6670 1.6670 1.7235 1.7235 2.1406 2.1406 2.8386 2.8386 2.9709 2.9709 3.1986 3.1986 3.3011 3.3011 5.1834 5.1834 7.1941 7.1941 7.3301 7.3301 8.2598 8.2598 8.3185 8.3185 8.5320 8.5320 8.5563 8.5563 k = 0.2273 0.5000 0.8364 ( 11324 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0693 -44.0693 -10.9999 -10.9999 -10.6284 -10.6284 -10.5637 -10.5637 -10.5534 -10.5534 -7.4481 -7.4481 -7.4459 -7.4459 -7.4183 -7.4183 -7.4067 -7.4067 -5.2729 -5.2729 -5.2674 -5.2674 -5.2603 -5.2603 -5.2599 -5.2599 -5.2199 -5.2199 -5.2066 -5.2066 -1.0612 -1.0612 -0.9634 -0.9634 -0.9346 -0.9346 -0.7842 -0.7842 -0.4163 -0.4163 0.3181 0.3181 0.4272 0.4272 0.7178 0.7178 1.0933 1.0933 1.1466 1.1466 1.5021 1.5021 1.6157 1.6157 1.6984 1.6984 2.1263 2.1263 2.8650 2.8650 2.9865 2.9865 3.2186 3.2186 3.3076 3.3076 5.1603 5.1603 7.1867 7.1867 7.3339 7.3339 8.2639 8.2639 8.3253 8.3253 8.4983 8.4983 8.5527 8.5527 k = 0.2500 0.5000 0.8364 ( 11328 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0693 -44.0693 -10.9975 -10.9975 -10.6261 -10.6261 -10.5667 -10.5667 -10.5557 -10.5557 -7.4485 -7.4485 -7.4463 -7.4463 -7.4184 -7.4184 -7.4061 -7.4061 -5.2743 -5.2743 -5.2679 -5.2679 -5.2605 -5.2605 -5.2601 -5.2601 -5.2194 -5.2194 -5.2052 -5.2052 -1.0693 -1.0693 -0.9589 -0.9589 -0.9335 -0.9335 -0.7677 -0.7677 -0.4012 -0.4012 0.3220 0.3220 0.4502 0.4502 0.7072 0.7072 1.0792 1.0792 1.1440 1.1440 1.5014 1.5014 1.5628 1.5628 1.6772 1.6772 2.1114 2.1114 2.8899 2.8899 3.0017 3.0017 3.2388 3.2388 3.3146 3.3146 5.1370 5.1370 7.1784 7.1784 7.3379 7.3379 8.2682 8.2682 8.3321 8.3321 8.4668 8.4668 8.5500 8.5500 k = 0.2727 0.5000 0.8364 ( 11344 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0693 -44.0693 -10.9949 -10.9949 -10.6237 -10.6237 -10.5698 -10.5698 -10.5582 -10.5582 -7.4489 -7.4489 -7.4467 -7.4467 -7.4184 -7.4184 -7.4055 -7.4055 -5.2756 -5.2756 -5.2684 -5.2684 -5.2609 -5.2609 -5.2601 -5.2601 -5.2188 -5.2188 -5.2039 -5.2039 -1.0773 -1.0773 -0.9544 -0.9544 -0.9324 -0.9324 -0.7514 -0.7514 -0.3848 -0.3848 0.3258 0.3258 0.4733 0.4733 0.6964 0.6964 1.0634 1.0634 1.1434 1.1434 1.4894 1.4894 1.5207 1.5207 1.6579 1.6579 2.0961 2.0961 2.9129 2.9129 3.0161 3.0161 3.2588 3.2588 3.3218 3.3218 5.1138 5.1138 7.1692 7.1692 7.3419 7.3419 8.2724 8.2724 8.3386 8.3386 8.4383 8.4383 8.5481 8.5481 k = 0.2955 0.5000 0.8364 ( 11344 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0693 -44.0693 -10.9924 -10.9924 -10.6211 -10.6211 -10.5729 -10.5729 -10.5608 -10.5608 -7.4492 -7.4492 -7.4471 -7.4471 -7.4184 -7.4184 -7.4050 -7.4050 -5.2770 -5.2770 -5.2688 -5.2688 -5.2611 -5.2611 -5.2601 -5.2601 -5.2182 -5.2182 -5.2027 -5.2027 -1.0850 -1.0850 -0.9499 -0.9499 -0.9312 -0.9312 -0.7355 -0.7355 -0.3674 -0.3674 0.3297 0.3297 0.4962 0.4962 0.6856 0.6856 1.0471 1.0471 1.1435 1.1435 1.4463 1.4463 1.5104 1.5104 1.6404 1.6404 2.0808 2.0808 2.9341 2.9341 3.0294 3.0294 3.2780 3.2780 3.3293 3.3293 5.0913 5.0913 7.1596 7.1596 7.3458 7.3458 8.2765 8.2765 8.3441 8.3441 8.4134 8.4134 8.5469 8.5469 k = 0.3182 0.5000 0.8364 ( 11340 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0693 -44.0693 -10.9900 -10.9900 -10.6184 -10.6184 -10.5758 -10.5758 -10.5635 -10.5635 -7.4496 -7.4496 -7.4475 -7.4475 -7.4184 -7.4184 -7.4045 -7.4045 -5.2782 -5.2782 -5.2692 -5.2692 -5.2614 -5.2614 -5.2601 -5.2601 -5.2176 -5.2176 -5.2016 -5.2016 -1.0922 -1.0922 -0.9456 -0.9456 -0.9301 -0.9301 -0.7204 -0.7204 -0.3493 -0.3493 0.3335 0.3335 0.5182 0.5182 0.6749 0.6749 1.0313 1.0313 1.1437 1.1437 1.3977 1.3977 1.5076 1.5076 1.6250 1.6250 2.0657 2.0657 2.9532 2.9532 3.0415 3.0415 3.2963 3.2963 3.3368 3.3368 5.0699 5.0699 7.1498 7.1498 7.3494 7.3494 8.2804 8.2804 8.3474 8.3474 8.3932 8.3932 8.5464 8.5464 k = 0.3409 0.5000 0.8364 ( 11340 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0693 -44.0693 -10.9877 -10.9877 -10.6155 -10.6155 -10.5787 -10.5787 -10.5663 -10.5663 -7.4498 -7.4498 -7.4479 -7.4479 -7.4184 -7.4184 -7.4040 -7.4040 -5.2793 -5.2793 -5.2696 -5.2696 -5.2616 -5.2616 -5.2601 -5.2601 -5.2171 -5.2171 -5.2006 -5.2006 -1.0988 -1.0988 -0.9416 -0.9416 -0.9291 -0.9291 -0.7065 -0.7065 -0.3309 -0.3309 0.3371 0.3371 0.5389 0.5389 0.6648 0.6648 1.0164 1.0164 1.1435 1.1435 1.3519 1.3519 1.5050 1.5050 1.6117 1.6117 2.0513 2.0513 2.9702 2.9702 3.0524 3.0524 3.3132 3.3132 3.3441 3.3441 5.0500 5.0500 7.1402 7.1402 7.3526 7.3526 8.2841 8.2841 8.3457 8.3457 8.3804 8.3804 8.5466 8.5466 k = 0.3636 0.5000 0.8364 ( 11336 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0693 -44.0693 -10.9856 -10.9856 -10.6126 -10.6126 -10.5814 -10.5814 -10.5692 -10.5692 -7.4501 -7.4501 -7.4482 -7.4482 -7.4183 -7.4183 -7.4036 -7.4036 -5.2803 -5.2803 -5.2700 -5.2700 -5.2618 -5.2618 -5.2600 -5.2600 -5.2167 -5.2167 -5.1997 -5.1997 -1.1048 -1.1048 -0.9379 -0.9379 -0.9281 -0.9281 -0.6940 -0.6940 -0.3127 -0.3127 0.3405 0.3405 0.5578 0.5578 0.6553 0.6553 1.0029 1.0029 1.1423 1.1423 1.3109 1.3109 1.5019 1.5019 1.6007 1.6007 2.0378 2.0378 2.9851 2.9851 3.0618 3.0618 3.3285 3.3285 3.3511 3.3511 5.0320 5.0320 7.1311 7.1311 7.3555 7.3555 8.2874 8.2874 8.3372 8.3372 8.3765 8.3765 8.5475 8.5475 k = 0.3864 0.5000 0.8364 ( 11348 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0693 -44.0693 -10.9837 -10.9837 -10.6096 -10.6096 -10.5838 -10.5838 -10.5720 -10.5720 -7.4503 -7.4503 -7.4485 -7.4485 -7.4183 -7.4183 -7.4034 -7.4034 -5.2812 -5.2812 -5.2703 -5.2703 -5.2620 -5.2620 -5.2600 -5.2600 -5.2163 -5.2163 -5.1989 -5.1989 -1.1100 -1.1100 -0.9347 -0.9347 -0.9271 -0.9271 -0.6831 -0.6831 -0.2954 -0.2954 0.3435 0.3435 0.5743 0.5743 0.6471 0.6471 0.9909 0.9909 1.1397 1.1397 1.2761 1.2761 1.4983 1.4983 1.5921 1.5921 2.0256 2.0256 2.9976 2.9976 3.0697 3.0697 3.3419 3.3419 3.3574 3.3574 5.0161 5.0161 7.1228 7.1228 7.3578 7.3578 8.2903 8.2903 8.3260 8.3260 8.3774 8.3774 8.5487 8.5487 k = 0.4091 0.5000 0.8364 ( 11352 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0693 -44.0693 -10.9820 -10.9820 -10.6065 -10.6065 -10.5861 -10.5861 -10.5748 -10.5748 -7.4505 -7.4505 -7.4488 -7.4488 -7.4183 -7.4183 -7.4031 -7.4031 -5.2819 -5.2819 -5.2706 -5.2706 -5.2621 -5.2621 -5.2600 -5.2600 -5.2159 -5.2159 -5.1983 -5.1983 -1.1143 -1.1143 -0.9321 -0.9321 -0.9261 -0.9261 -0.6739 -0.6739 -0.2797 -0.2797 0.3461 0.3461 0.5876 0.5876 0.6405 0.6405 0.9807 0.9807 1.1352 1.1352 1.2488 1.2488 1.4944 1.4944 1.5857 1.5857 2.0151 2.0151 3.0080 3.0080 3.0762 3.0762 3.3532 3.3532 3.3629 3.3629 5.0028 5.0028 7.1156 7.1156 7.3598 7.3598 8.2928 8.2928 8.3157 8.3157 8.3794 8.3794 8.5502 8.5502 k = 0.4318 0.5000 0.8364 ( 11360 PWs) bands (ev): -80.0682 -80.0682 -48.9274 -48.9274 -44.7322 -44.7322 -44.0693 -44.0693 -10.9807 -10.9807 -10.6035 -10.6035 -10.5882 -10.5882 -10.5773 -10.5773 -7.4506 -7.4506 -7.4490 -7.4490 -7.4183 -7.4183 -7.4029 -7.4029 -5.2825 -5.2825 -5.2708 -5.2708 -5.2622 -5.2622 -5.2600 -5.2600 -5.2157 -5.2157 -5.1979 -5.1979 -1.1178 -1.1178 -0.9302 -0.9302 -0.9252 -0.9252 -0.6667 -0.6667 -0.2665 -0.2665 0.3481 0.3481 0.5970 0.5970 0.6363 0.6363 0.9725 0.9725 1.1290 1.1290 1.2295 1.2295 1.4908 1.4908 1.5812 1.5812 2.0065 2.0065 3.0160 3.0160 3.0812 3.0812 3.3621 3.3621 3.3673 3.3673 4.9921 4.9921 7.1097 7.1097 7.3613 7.3613 8.2948 8.2948 8.3074 8.3074 8.3813 8.3813 8.5516 8.5516 k = 0.4545 0.5000 0.8364 ( 11360 PWs) bands (ev): -80.0682 -80.0682 -48.9274 -48.9274 -44.7322 -44.7322 -44.0693 -44.0693 -10.9798 -10.9798 -10.6005 -10.6005 -10.5903 -10.5903 -10.5794 -10.5794 -7.4507 -7.4507 -7.4492 -7.4492 -7.4182 -7.4182 -7.4027 -7.4027 -5.2829 -5.2829 -5.2710 -5.2710 -5.2622 -5.2622 -5.2600 -5.2600 -5.2155 -5.2155 -5.1975 -5.1975 -1.1203 -1.1203 -0.9290 -0.9290 -0.9243 -0.9243 -0.6615 -0.6615 -0.2564 -0.2564 0.3497 0.3497 0.6022 0.6022 0.6348 0.6348 0.9665 0.9665 1.1223 1.1223 1.2176 1.2176 1.4879 1.4879 1.5782 1.5782 2.0002 2.0002 3.0218 3.0218 3.0847 3.0847 3.3686 3.3686 3.3707 3.3707 4.9843 4.9843 7.1053 7.1053 7.3623 7.3623 8.2962 8.2962 8.3013 8.3013 8.3828 8.3828 8.5529 8.5529 k = 0.4773 0.5000 0.8364 ( 11380 PWs) bands (ev): -80.0682 -80.0682 -48.9274 -48.9274 -44.7322 -44.7322 -44.0693 -44.0693 -10.9792 -10.9792 -10.5976 -10.5976 -10.5925 -10.5925 -10.5808 -10.5808 -7.4508 -7.4508 -7.4493 -7.4493 -7.4182 -7.4182 -7.4027 -7.4027 -5.2832 -5.2832 -5.2711 -5.2711 -5.2623 -5.2623 -5.2600 -5.2600 -5.2154 -5.2154 -5.1973 -5.1973 -1.1219 -1.1219 -0.9283 -0.9283 -0.9237 -0.9237 -0.6584 -0.6584 -0.2500 -0.2500 0.3506 0.3506 0.6042 0.6042 0.6351 0.6351 0.9629 0.9629 1.1172 1.1172 1.2113 1.2113 1.4860 1.4860 1.5765 1.5765 1.9963 1.9963 3.0253 3.0253 3.0869 3.0869 3.3726 3.3726 3.3727 3.3727 4.9796 4.9796 7.1026 7.1026 7.3629 7.3629 8.2969 8.2969 8.2978 8.2978 8.3837 8.3837 8.5537 8.5537 k = 0.5000 0.5000 0.8364 ( 11376 PWs) bands (ev): -80.0682 -80.0682 -48.9274 -48.9274 -44.7322 -44.7322 -44.0693 -44.0693 -10.9790 -10.9790 -10.5950 -10.5950 -10.5948 -10.5948 -10.5813 -10.5813 -7.4509 -7.4509 -7.4493 -7.4493 -7.4182 -7.4182 -7.4027 -7.4027 -5.2833 -5.2833 -5.2712 -5.2712 -5.2623 -5.2623 -5.2601 -5.2601 -5.2154 -5.2154 -5.1972 -5.1972 -1.1224 -1.1224 -0.9281 -0.9281 -0.9235 -0.9235 -0.6574 -0.6574 -0.2479 -0.2479 0.3509 0.3509 0.6045 0.6045 0.6355 0.6355 0.9617 0.9617 1.1153 1.1153 1.2094 1.2094 1.4853 1.4853 1.5760 1.5760 1.9950 1.9950 3.0264 3.0264 3.0876 3.0876 3.3734 3.3734 3.3739 3.3739 4.9780 4.9780 7.1017 7.1017 7.3631 7.3631 8.2963 8.2963 8.2974 8.2974 8.3840 8.3840 8.5540 8.5540 k = 0.5000 0.5000 0.8364 ( 11376 PWs) bands (ev): -80.0682 -80.0682 -48.9274 -48.9274 -44.7322 -44.7322 -44.0693 -44.0693 -10.9790 -10.9790 -10.5950 -10.5950 -10.5948 -10.5948 -10.5813 -10.5813 -7.4509 -7.4509 -7.4493 -7.4493 -7.4182 -7.4182 -7.4027 -7.4027 -5.2833 -5.2833 -5.2712 -5.2712 -5.2623 -5.2623 -5.2601 -5.2601 -5.2154 -5.2154 -5.1972 -5.1972 -1.1224 -1.1224 -0.9281 -0.9281 -0.9235 -0.9235 -0.6574 -0.6574 -0.2479 -0.2479 0.3509 0.3509 0.6045 0.6045 0.6355 0.6355 0.9617 0.9617 1.1153 1.1153 1.2094 1.2094 1.4853 1.4853 1.5760 1.5760 1.9950 1.9950 3.0264 3.0264 3.0876 3.0876 3.3734 3.3734 3.3739 3.3739 4.9780 4.9780 7.1017 7.1017 7.3631 7.3631 8.2963 8.2963 8.2974 8.2974 8.3840 8.3840 8.5540 8.5540 k = 0.4844 0.4844 0.8364 ( 11380 PWs) bands (ev): -80.0682 -80.0682 -48.9274 -48.9274 -44.7322 -44.7322 -44.0693 -44.0693 -10.9792 -10.9792 -10.5975 -10.5975 -10.5926 -10.5926 -10.5808 -10.5808 -7.4508 -7.4508 -7.4493 -7.4493 -7.4182 -7.4182 -7.4027 -7.4027 -5.2832 -5.2832 -5.2711 -5.2711 -5.2623 -5.2623 -5.2601 -5.2601 -5.2154 -5.2154 -5.1973 -5.1973 -1.1219 -1.1219 -0.9286 -0.9286 -0.9234 -0.9234 -0.6584 -0.6584 -0.2499 -0.2499 0.3506 0.3506 0.6042 0.6042 0.6351 0.6351 0.9628 0.9628 1.1171 1.1171 1.2111 1.2111 1.4859 1.4859 1.5766 1.5766 1.9962 1.9962 3.0253 3.0253 3.0869 3.0869 3.3723 3.3723 3.3731 3.3731 4.9795 4.9795 7.1026 7.1026 7.3630 7.3630 8.2969 8.2969 8.2977 8.2977 8.3837 8.3837 8.5537 8.5537 k = 0.4688 0.4687 0.8364 ( 11348 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0693 -44.0693 -10.9797 -10.9797 -10.6001 -10.6001 -10.5908 -10.5908 -10.5793 -10.5793 -7.4507 -7.4507 -7.4491 -7.4491 -7.4182 -7.4182 -7.4027 -7.4027 -5.2829 -5.2829 -5.2710 -5.2710 -5.2622 -5.2622 -5.2600 -5.2600 -5.2155 -5.2155 -5.1975 -5.1975 -1.1205 -1.1205 -0.9322 -0.9322 -0.9210 -0.9210 -0.6613 -0.6613 -0.2560 -0.2560 0.3497 0.3497 0.6033 0.6033 0.6339 0.6339 0.9663 0.9663 1.1226 1.1226 1.2164 1.2164 1.4870 1.4870 1.5789 1.5789 1.9999 1.9999 3.0221 3.0221 3.0849 3.0849 3.3682 3.3682 3.3716 3.3716 4.9840 4.9840 7.1048 7.1048 7.3626 7.3626 8.2960 8.2960 8.3009 8.3009 8.3828 8.3828 8.5534 8.5534 k = 0.4531 0.4531 0.8364 ( 11368 PWs) bands (ev): -80.0682 -80.0682 -48.9274 -48.9274 -44.7322 -44.7322 -44.0693 -44.0693 -10.9806 -10.9806 -10.6025 -10.6025 -10.5897 -10.5897 -10.5768 -10.5768 -7.4507 -7.4507 -7.4490 -7.4490 -7.4183 -7.4183 -7.4029 -7.4029 -5.2826 -5.2826 -5.2708 -5.2708 -5.2622 -5.2622 -5.2600 -5.2600 -5.2157 -5.2157 -5.1978 -5.1978 -1.1181 -1.1181 -0.9392 -0.9392 -0.9158 -0.9158 -0.6662 -0.6662 -0.2660 -0.2660 0.3481 0.3481 0.6018 0.6018 0.6319 0.6319 0.9722 0.9722 1.1318 1.1318 1.2252 1.2252 1.4866 1.4866 1.5847 1.5847 2.0060 2.0060 3.0166 3.0166 3.0815 3.0815 3.3614 3.3614 3.3691 3.3691 4.9913 4.9913 7.1077 7.1077 7.3627 7.3627 8.2936 8.2936 8.3059 8.3059 8.3813 8.3813 8.5540 8.5540 k = 0.4375 0.4375 0.8364 ( 11376 PWs) bands (ev): -80.0682 -80.0682 -48.9274 -48.9274 -44.7322 -44.7322 -44.0693 -44.0693 -10.9819 -10.9819 -10.6048 -10.6048 -10.5891 -10.5891 -10.5736 -10.5736 -7.4507 -7.4507 -7.4487 -7.4487 -7.4184 -7.4184 -7.4031 -7.4031 -5.2822 -5.2822 -5.2706 -5.2706 -5.2621 -5.2621 -5.2600 -5.2600 -5.2160 -5.2160 -5.1983 -5.1983 -1.1147 -1.1147 -0.9491 -0.9491 -0.9083 -0.9083 -0.6729 -0.6729 -0.2796 -0.2796 0.3457 0.3457 0.5996 0.5996 0.6291 0.6291 0.9806 0.9806 1.1444 1.1444 1.2373 1.2373 1.4825 1.4825 1.5960 1.5960 2.0145 2.0145 3.0091 3.0091 3.0768 3.0768 3.3522 3.3522 3.3658 3.3658 5.0015 5.0015 7.1100 7.1100 7.3643 7.3643 8.2890 8.2890 8.3120 8.3120 8.3795 8.3795 8.5573 8.5573 k = 0.4219 0.4219 0.8364 ( 11362 PWs) bands (ev): -80.0682 -80.0682 -48.9274 -48.9274 -44.7322 -44.7322 -44.0693 -44.0693 -10.9836 -10.9836 -10.6069 -10.6069 -10.5889 -10.5889 -10.5698 -10.5698 -7.4506 -7.4506 -7.4483 -7.4483 -7.4184 -7.4184 -7.4032 -7.4032 -5.2817 -5.2817 -5.2702 -5.2702 -5.2620 -5.2620 -5.2599 -5.2599 -5.2164 -5.2164 -5.1987 -5.1987 -1.1105 -1.1105 -0.9614 -0.9614 -0.8986 -0.8986 -0.6814 -0.6814 -0.2966 -0.2966 0.3425 0.3425 0.5968 0.5968 0.6255 0.6255 0.9914 0.9914 1.1604 1.1604 1.2527 1.2527 1.4734 1.4734 1.6140 1.6140 2.0251 2.0251 2.9994 2.9994 3.0707 3.0707 3.3408 3.3408 3.3616 3.3616 5.0144 5.0144 7.1099 7.1099 7.3687 7.3687 8.2807 8.2807 8.3179 8.3179 8.3786 8.3786 8.5647 8.5647 k = 0.4062 0.4062 0.8364 ( 11352 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0693 -44.0693 -10.9855 -10.9855 -10.6086 -10.6086 -10.5888 -10.5888 -10.5658 -10.5658 -7.4506 -7.4506 -7.4478 -7.4478 -7.4185 -7.4185 -7.4034 -7.4034 -5.2812 -5.2812 -5.2696 -5.2696 -5.2620 -5.2620 -5.2598 -5.2598 -5.2168 -5.2168 -5.1992 -5.1992 -1.1054 -1.1054 -0.9759 -0.9759 -0.8866 -0.8866 -0.6915 -0.6915 -0.3165 -0.3165 0.3384 0.3384 0.5933 0.5933 0.6211 0.6211 1.0047 1.0047 1.1796 1.1796 1.2712 1.2712 1.4592 1.4592 1.6383 1.6383 2.0377 2.0377 2.9877 2.9877 3.0632 3.0632 3.3277 3.3277 3.3567 3.3567 5.0297 5.0297 7.1057 7.1057 7.3774 7.3774 8.2673 8.2673 8.3226 8.3226 8.3800 8.3800 8.5778 8.5778 k = 0.3906 0.3906 0.8364 ( 11360 PWs) bands (ev): -80.0682 -80.0682 -48.9274 -48.9274 -44.7322 -44.7322 -44.0693 -44.0693 -10.9877 -10.9877 -10.6101 -10.6101 -10.5889 -10.5889 -10.5615 -10.5615 -7.4507 -7.4507 -7.4473 -7.4473 -7.4187 -7.4187 -7.4036 -7.4036 -5.2808 -5.2808 -5.2689 -5.2689 -5.2619 -5.2619 -5.2595 -5.2595 -5.2175 -5.2175 -5.1998 -5.1998 -1.0995 -1.0995 -0.9923 -0.9923 -0.8725 -0.8725 -0.7030 -0.7030 -0.3389 -0.3389 0.3333 0.3333 0.5891 0.5891 0.6160 0.6160 1.0204 1.0204 1.2017 1.2017 1.2927 1.2927 1.4404 1.4404 1.6683 1.6683 2.0522 2.0522 2.9740 2.9740 3.0542 3.0542 3.3131 3.3131 3.3511 3.3511 5.0474 5.0474 7.0957 7.0957 7.3914 7.3914 8.2480 8.2480 8.3253 8.3253 8.3849 8.3849 8.5970 8.5970 k = 0.3750 0.3750 0.8364 ( 11352 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0693 -44.0693 -10.9903 -10.9903 -10.6113 -10.6113 -10.5890 -10.5890 -10.5571 -10.5571 -7.4507 -7.4507 -7.4466 -7.4466 -7.4190 -7.4190 -7.4037 -7.4037 -5.2806 -5.2806 -5.2680 -5.2680 -5.2618 -5.2618 -5.2591 -5.2591 -5.2183 -5.2183 -5.2004 -5.2004 -1.0928 -1.0928 -1.0103 -1.0103 -0.8563 -0.8563 -0.7159 -0.7159 -0.3635 -0.3635 0.3272 0.3272 0.5844 0.5844 0.6101 0.6101 1.0384 1.0384 1.2265 1.2265 1.3166 1.3166 1.4177 1.4177 1.7031 1.7031 2.0684 2.0684 2.9585 2.9585 3.0439 3.0439 3.2974 3.2974 3.3449 3.3449 5.0672 5.0672 7.0793 7.0793 7.4113 7.4113 8.2232 8.2232 8.3261 8.3261 8.3931 8.3931 8.6225 8.6225 k = 0.3594 0.3594 0.8364 ( 11358 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0693 -44.0693 -10.9930 -10.9930 -10.6122 -10.6122 -10.5892 -10.5892 -10.5527 -10.5527 -7.4508 -7.4508 -7.4459 -7.4459 -7.4194 -7.4194 -7.4038 -7.4038 -5.2806 -5.2806 -5.2671 -5.2671 -5.2618 -5.2618 -5.2584 -5.2584 -5.2192 -5.2192 -5.2009 -5.2009 -1.0854 -1.0854 -1.0296 -1.0296 -0.8379 -0.8379 -0.7299 -0.7299 -0.3898 -0.3898 0.3203 0.3203 0.5790 0.5790 0.6036 0.6036 1.0584 1.0584 1.2534 1.2534 1.3423 1.3423 1.3923 1.3923 1.7420 1.7420 2.0860 2.0860 2.9412 2.9412 3.0323 3.0323 3.2810 3.2810 3.3382 3.3382 5.0889 5.0889 7.0562 7.0562 7.4366 7.4366 8.1937 8.1937 8.3256 8.3256 8.4036 8.4036 8.6537 8.6537 k = 0.3438 0.3437 0.8364 ( 11358 PWs) bands (ev): -80.0682 -80.0682 -48.9274 -48.9274 -44.7322 -44.7322 -44.0693 -44.0693 -10.9960 -10.9960 -10.6128 -10.6128 -10.5894 -10.5894 -10.5482 -10.5482 -7.4509 -7.4509 -7.4452 -7.4452 -7.4198 -7.4198 -7.4038 -7.4038 -5.2806 -5.2806 -5.2663 -5.2663 -5.2616 -5.2616 -5.2574 -5.2574 -5.2203 -5.2203 -5.2014 -5.2014 -1.0774 -1.0774 -1.0498 -1.0498 -0.8173 -0.8173 -0.7449 -0.7449 -0.4175 -0.4175 0.3126 0.3126 0.5731 0.5731 0.5965 0.5965 1.0804 1.0804 1.2813 1.2813 1.3544 1.3544 1.3803 1.3803 1.7846 1.7846 2.1048 2.1048 2.9222 2.9222 3.0194 3.0194 3.2641 3.2641 3.3311 3.3311 5.1122 5.1122 7.0269 7.0269 7.4665 7.4665 8.1608 8.1608 8.3241 8.3241 8.4155 8.4155 8.6901 8.6901 k = 0.3281 0.3281 0.8364 ( 11362 PWs) bands (ev): -80.0682 -80.0682 -48.9274 -48.9274 -44.7322 -44.7322 -44.0693 -44.0693 -10.9991 -10.9991 -10.6132 -10.6132 -10.5897 -10.5897 -10.5438 -10.5438 -7.4511 -7.4511 -7.4444 -7.4444 -7.4204 -7.4204 -7.4036 -7.4036 -5.2809 -5.2809 -5.2658 -5.2658 -5.2613 -5.2613 -5.2561 -5.2561 -5.2215 -5.2215 -5.2017 -5.2017 -1.0724 -1.0724 -1.0671 -1.0671 -0.7947 -0.7947 -0.7607 -0.7607 -0.4461 -0.4461 0.3043 0.3043 0.5667 0.5667 0.5889 0.5889 1.1038 1.1038 1.3009 1.3009 1.3367 1.3367 1.4072 1.4072 1.8302 1.8302 2.1247 2.1247 2.9017 2.9017 3.0054 3.0054 3.2470 3.2470 3.3238 3.3238 5.1368 5.1368 6.9919 6.9919 7.5002 7.5002 8.1256 8.1256 8.3218 8.3218 8.4282 8.4282 8.7310 8.7310 k = 0.3125 0.3125 0.8364 ( 11346 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0693 -44.0693 -11.0024 -11.0024 -10.6132 -10.6132 -10.5900 -10.5900 -10.5394 -10.5394 -7.4511 -7.4511 -7.4437 -7.4437 -7.4210 -7.4210 -7.4033 -7.4033 -5.2813 -5.2813 -5.2655 -5.2655 -5.2609 -5.2609 -5.2543 -5.2543 -5.2228 -5.2228 -5.2020 -5.2020 -1.0926 -1.0926 -1.0591 -1.0591 -0.7773 -0.7773 -0.7696 -0.7696 -0.4754 -0.4754 0.2953 0.2953 0.5600 0.5600 0.5810 0.5810 1.1284 1.1284 1.2784 1.2784 1.3556 1.3556 1.4398 1.4398 1.8784 1.8784 2.1453 2.1453 2.8798 2.8798 2.9904 2.9904 3.2298 3.2298 3.3163 3.3163 5.1625 5.1625 6.9521 6.9521 7.5367 7.5367 8.0890 8.0890 8.3188 8.3188 8.4411 8.4411 8.7757 8.7757 k = 0.2969 0.2969 0.8364 ( 11362 PWs) bands (ev): -80.0682 -80.0682 -48.9274 -48.9274 -44.7322 -44.7322 -44.0693 -44.0693 -11.0059 -11.0059 -10.6131 -10.6131 -10.5903 -10.5903 -10.5351 -10.5351 -7.4513 -7.4513 -7.4430 -7.4430 -7.4217 -7.4217 -7.4030 -7.4030 -5.2819 -5.2819 -5.2655 -5.2655 -5.2605 -5.2605 -5.2523 -5.2523 -5.2241 -5.2241 -5.2022 -5.2022 -1.1142 -1.1142 -1.0495 -1.0495 -0.7940 -0.7940 -0.7429 -0.7429 -0.5050 -0.5050 0.2860 0.2860 0.5529 0.5529 0.5728 0.5728 1.1534 1.1534 1.2404 1.2404 1.3884 1.3884 1.4746 1.4746 1.9289 1.9289 2.1665 2.1665 2.8566 2.8566 2.9747 2.9747 3.2126 3.2126 3.3087 3.3087 5.1890 5.1890 6.9079 6.9079 7.5752 7.5752 8.0518 8.0518 8.3152 8.3152 8.4539 8.4539 8.8235 8.8235 k = 0.2812 0.2812 0.8364 ( 11370 PWs) bands (ev): -80.0682 -80.0682 -48.9274 -48.9274 -44.7322 -44.7322 -44.0693 -44.0693 -11.0093 -11.0093 -10.6127 -10.6127 -10.5906 -10.5906 -10.5309 -10.5309 -7.4515 -7.4515 -7.4423 -7.4423 -7.4226 -7.4226 -7.4025 -7.4025 -5.2826 -5.2826 -5.2656 -5.2656 -5.2601 -5.2601 -5.2500 -5.2500 -5.2256 -5.2256 -5.2023 -5.2023 -1.1357 -1.1357 -1.0395 -1.0395 -0.8111 -0.8111 -0.7140 -0.7140 -0.5345 -0.5345 0.2765 0.2765 0.5457 0.5457 0.5645 0.5645 1.1734 1.1734 1.2035 1.2035 1.4237 1.4237 1.5109 1.5109 1.9812 1.9812 2.1880 2.1880 2.8323 2.8323 2.9584 2.9584 3.1954 3.1954 3.3011 3.3011 5.2160 5.2160 6.8601 6.8601 7.6150 7.6150 8.0145 8.0146 8.3109 8.3109 8.4659 8.4659 8.8737 8.8737 k = 0.2656 0.2656 0.8364 ( 11364 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0693 -44.0693 -11.0129 -11.0129 -10.6122 -10.6122 -10.5909 -10.5909 -10.5269 -10.5269 -7.4516 -7.4516 -7.4416 -7.4416 -7.4234 -7.4234 -7.4019 -7.4019 -5.2835 -5.2835 -5.2658 -5.2658 -5.2595 -5.2595 -5.2475 -5.2475 -5.2270 -5.2270 -5.2023 -5.2023 -1.1570 -1.1570 -1.0292 -1.0292 -0.8283 -0.8283 -0.6831 -0.6831 -0.5636 -0.5636 0.2668 0.2668 0.5384 0.5384 0.5560 0.5560 1.1449 1.1449 1.2123 1.2123 1.4603 1.4603 1.5486 1.5486 2.0348 2.0348 2.2097 2.2097 2.8069 2.8069 2.9420 2.9420 3.1784 3.1784 3.2936 3.2936 5.2433 5.2433 6.8092 6.8092 7.6554 7.6554 7.9779 7.9779 8.3058 8.3058 8.4769 8.4769 8.9257 8.9257 k = 0.2500 0.2500 0.8364 ( 11370 PWs) bands (ev): -80.0682 -80.0682 -48.9274 -48.9274 -44.7322 -44.7322 -44.0693 -44.0693 -11.0164 -11.0164 -10.6114 -10.6114 -10.5912 -10.5912 -10.5229 -10.5229 -7.4519 -7.4519 -7.4410 -7.4410 -7.4243 -7.4243 -7.4012 -7.4012 -5.2845 -5.2845 -5.2662 -5.2662 -5.2590 -5.2590 -5.2450 -5.2450 -5.2283 -5.2283 -5.2023 -5.2023 -1.1779 -1.1779 -1.0187 -1.0187 -0.8454 -0.8454 -0.6505 -0.6505 -0.5919 -0.5919 0.2571 0.2571 0.5311 0.5311 0.5476 0.5476 1.0968 1.0968 1.2379 1.2379 1.4976 1.4976 1.5872 1.5872 2.0894 2.0894 2.2312 2.2312 2.7806 2.7806 2.9255 2.9255 3.1614 3.1614 3.2863 3.2863 5.2704 5.2704 6.7560 6.7560 7.6957 7.6957 7.9423 7.9423 8.3001 8.3001 8.4863 8.4863 8.9790 8.9790 k = 0.2344 0.2344 0.8364 ( 11354 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0693 -44.0693 -11.0199 -11.0199 -10.6106 -10.6106 -10.5915 -10.5915 -10.5192 -10.5192 -7.4520 -7.4520 -7.4405 -7.4405 -7.4250 -7.4250 -7.4004 -7.4004 -5.2854 -5.2854 -5.2664 -5.2664 -5.2586 -5.2586 -5.2426 -5.2426 -5.2294 -5.2294 -5.2022 -5.2022 -1.1982 -1.1982 -1.0082 -1.0082 -0.8623 -0.8623 -0.6263 -0.6263 -0.6090 -0.6090 0.2476 0.2476 0.5238 0.5238 0.5392 0.5392 1.0450 1.0450 1.2646 1.2646 1.5353 1.5353 1.6264 1.6264 2.1446 2.1446 2.2525 2.2525 2.7535 2.7535 2.9093 2.9093 3.1446 3.1446 3.2792 3.2792 5.2972 5.2972 6.7012 6.7012 7.7346 7.7346 7.9087 7.9087 8.2938 8.2938 8.4936 8.4936 9.0330 9.0330 k = 0.2188 0.2187 0.8364 ( 11362 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0693 -44.0693 -11.0233 -11.0233 -10.6096 -10.6096 -10.5918 -10.5918 -10.5156 -10.5156 -7.4523 -7.4523 -7.4400 -7.4400 -7.4258 -7.4258 -7.3996 -7.3996 -5.2866 -5.2866 -5.2668 -5.2668 -5.2581 -5.2581 -5.2405 -5.2405 -5.2302 -5.2302 -5.2020 -5.2020 -1.2178 -1.2178 -0.9978 -0.9978 -0.8788 -0.8788 -0.6490 -0.6490 -0.5762 -0.5762 0.2383 0.2383 0.5167 0.5167 0.5311 0.5311 0.9908 0.9908 1.2910 1.2910 1.5732 1.5732 1.6661 1.6661 2.1999 2.1999 2.2734 2.2734 2.7256 2.7256 2.8936 2.8936 3.1278 3.1278 3.2724 3.2724 5.3234 5.3234 6.6453 6.6453 7.7698 7.7698 7.8796 7.8796 8.2869 8.2869 8.4984 8.4984 9.0871 9.0871 k = 0.2031 0.2031 0.8364 ( 11362 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0693 -44.0693 -11.0267 -11.0267 -10.6086 -10.6086 -10.5920 -10.5920 -10.5123 -10.5123 -7.4526 -7.4526 -7.4398 -7.4398 -7.4264 -7.4264 -7.3987 -7.3987 -5.2877 -5.2877 -5.2672 -5.2672 -5.2577 -5.2577 -5.2390 -5.2390 -5.2303 -5.2303 -5.2018 -5.2018 -1.2364 -1.2364 -0.9876 -0.9876 -0.8948 -0.8948 -0.6745 -0.6745 -0.5374 -0.5374 0.2293 0.2293 0.5098 0.5098 0.5232 0.5232 0.9345 0.9345 1.3170 1.3170 1.6111 1.6111 1.7058 1.7058 2.2549 2.2549 2.2936 2.2936 2.6972 2.6972 2.8785 2.8785 3.1111 3.1111 3.2658 3.2658 5.3488 5.3488 6.5893 6.5893 7.7911 7.7911 7.8645 7.8645 8.2795 8.2795 8.5004 8.5004 9.1407 9.1407 k = 0.1875 0.1875 0.8364 ( 11350 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0693 -44.0693 -11.0299 -11.0299 -10.6075 -10.6075 -10.5922 -10.5922 -10.5091 -10.5091 -7.4528 -7.4528 -7.4396 -7.4396 -7.4270 -7.4270 -7.3978 -7.3978 -5.2889 -5.2889 -5.2675 -5.2675 -5.2572 -5.2572 -5.2383 -5.2383 -5.2294 -5.2294 -5.2015 -5.2015 -1.2541 -1.2541 -0.9778 -0.9778 -0.9102 -0.9102 -0.6989 -0.6989 -0.4965 -0.4965 0.2207 0.2207 0.5031 0.5031 0.5156 0.5156 0.8765 0.8765 1.3421 1.3421 1.6486 1.6486 1.7452 1.7452 2.3084 2.3084 2.3136 2.3136 2.6682 2.6682 2.8644 2.8644 3.0944 3.0944 3.2596 3.2596 5.3731 5.3731 6.5336 6.5336 7.7826 7.7826 7.8795 7.8795 8.2717 8.2717 8.4992 8.4992 9.1934 9.1934 k = 0.1719 0.1719 0.8364 ( 11360 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0693 -44.0693 -11.0330 -11.0330 -10.6065 -10.6065 -10.5924 -10.5924 -10.5062 -10.5062 -7.4531 -7.4531 -7.4396 -7.4396 -7.4274 -7.4274 -7.3969 -7.3969 -5.2902 -5.2902 -5.2679 -5.2679 -5.2569 -5.2569 -5.2385 -5.2385 -5.2279 -5.2279 -5.2012 -5.2012 -1.2707 -1.2707 -0.9685 -0.9685 -0.9246 -0.9246 -0.7218 -0.7218 -0.4536 -0.4536 0.2126 0.2126 0.4968 0.4968 0.5084 0.5084 0.8170 0.8170 1.3662 1.3662 1.6857 1.6857 1.7839 1.7839 2.3311 2.3311 2.3622 2.3622 2.6390 2.6390 2.8512 2.8512 3.0778 3.0778 3.2536 3.2536 5.3961 5.3961 6.4792 6.4792 7.7587 7.7587 7.9100 7.9100 8.2638 8.2638 8.4948 8.4948 9.2446 9.2446 k = 0.1562 0.1562 0.8364 ( 11368 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0693 -44.0693 -11.0359 -11.0359 -10.6055 -10.6055 -10.5925 -10.5925 -10.5035 -10.5035 -7.4534 -7.4534 -7.4396 -7.4396 -7.4278 -7.4278 -7.3960 -7.3960 -5.2914 -5.2914 -5.2682 -5.2682 -5.2565 -5.2565 -5.2390 -5.2390 -5.2260 -5.2260 -5.2009 -5.2009 -1.2861 -1.2861 -0.9601 -0.9601 -0.9379 -0.9379 -0.7430 -0.7430 -0.4088 -0.4088 0.2050 0.2050 0.4909 0.4909 0.5016 0.5016 0.7562 0.7562 1.3891 1.3891 1.7220 1.7220 1.8215 1.8215 2.3483 2.3483 2.4133 2.4133 2.6097 2.6097 2.8391 2.8391 3.0613 3.0613 3.2480 3.2480 5.4177 5.4177 6.4266 6.4266 7.7321 7.7321 7.9431 7.9431 8.2559 8.2559 8.4872 8.4872 9.2938 9.2938 k = 0.1406 0.1406 0.8364 ( 11384 PWs) bands (ev): -80.0682 -80.0682 -48.9274 -48.9274 -44.7322 -44.7322 -44.0693 -44.0693 -11.0386 -11.0386 -10.6045 -10.6045 -10.5925 -10.5925 -10.5011 -10.5011 -7.4537 -7.4537 -7.4399 -7.4399 -7.4280 -7.4280 -7.3952 -7.3952 -5.2927 -5.2927 -5.2686 -5.2686 -5.2563 -5.2563 -5.2397 -5.2397 -5.2242 -5.2242 -5.2005 -5.2005 -1.3002 -1.3002 -0.9561 -0.9561 -0.9465 -0.9465 -0.7623 -0.7623 -0.3622 -0.3622 0.1979 0.1979 0.4855 0.4855 0.4953 0.4953 0.6946 0.6946 1.4105 1.4105 1.7574 1.7574 1.8578 1.8578 2.3643 2.3643 2.4617 2.4617 2.5809 2.5809 2.8284 2.8284 3.0449 3.0449 3.2428 3.2428 5.4376 5.4376 6.3765 6.3765 7.7058 7.7058 7.9757 7.9757 8.2486 8.2486 8.4766 8.4766 9.3404 9.3404 k = 0.1250 0.1250 0.8364 ( 11364 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0693 -44.0693 -11.0411 -11.0411 -10.6036 -10.6036 -10.5925 -10.5925 -10.4989 -10.4989 -7.4539 -7.4539 -7.4400 -7.4400 -7.4281 -7.4281 -7.3944 -7.3944 -5.2938 -5.2938 -5.2688 -5.2688 -5.2559 -5.2559 -5.2403 -5.2403 -5.2223 -5.2223 -5.2000 -5.2000 -1.3130 -1.3130 -0.9645 -0.9645 -0.9425 -0.9425 -0.7796 -0.7796 -0.3139 -0.3139 0.1916 0.1916 0.4805 0.4805 0.4896 0.4896 0.6322 0.6322 1.4302 1.4302 1.7914 1.7914 1.8922 1.8922 2.3790 2.3790 2.5045 2.5045 2.5555 2.5555 2.8190 2.8190 3.0285 3.0285 3.2381 3.2381 5.4558 5.4558 6.3296 6.3296 7.6809 7.6809 8.0067 8.0067 8.2423 8.2423 8.4633 8.4633 9.3840 9.3840 k = 0.1094 0.1094 0.8364 ( 11368 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0693 -44.0693 -11.0433 -11.0433 -10.6028 -10.6028 -10.5925 -10.5925 -10.4969 -10.4969 -7.4542 -7.4542 -7.4403 -7.4403 -7.4282 -7.4282 -7.3936 -7.3936 -5.2948 -5.2948 -5.2690 -5.2690 -5.2557 -5.2557 -5.2408 -5.2408 -5.2207 -5.2207 -5.1996 -5.1996 -1.3244 -1.3244 -0.9746 -0.9746 -0.9367 -0.9367 -0.7946 -0.7946 -0.2639 -0.2639 0.1859 0.1859 0.4759 0.4759 0.4845 0.4845 0.5694 0.5694 1.4481 1.4481 1.8237 1.8237 1.9246 1.9246 2.3921 2.3921 2.5128 2.5128 2.5619 2.5619 2.8113 2.8113 3.0122 3.0122 3.2337 3.2337 5.4720 5.4720 6.2866 6.2866 7.6579 7.6579 8.0352 8.0352 8.2376 8.2376 8.4478 8.4478 9.4241 9.4241 k = 0.0938 0.0937 0.8364 ( 11352 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0693 -44.0693 -11.0453 -11.0453 -10.6022 -10.6022 -10.5923 -10.5923 -10.4953 -10.4953 -7.4544 -7.4544 -7.4406 -7.4406 -7.4282 -7.4282 -7.3929 -7.3929 -5.2958 -5.2958 -5.2692 -5.2692 -5.2555 -5.2555 -5.2414 -5.2414 -5.2192 -5.2192 -5.1991 -5.1991 -1.3344 -1.3344 -0.9837 -0.9837 -0.9316 -0.9316 -0.8074 -0.8074 -0.2123 -0.2123 0.1809 0.1809 0.4718 0.4718 0.4799 0.4799 0.5066 0.5066 1.4640 1.4640 1.8538 1.8538 1.9545 1.9545 2.4036 2.4036 2.4889 2.4889 2.5978 2.5978 2.8055 2.8055 2.9960 2.9960 3.2299 3.2299 5.4863 5.4863 6.2479 6.2479 7.6371 7.6371 8.0606 8.0606 8.2354 8.2354 8.4304 8.4304 9.4602 9.4602 k = 0.0781 0.0781 0.8364 ( 11348 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0693 -44.0693 -11.0470 -11.0470 -10.6017 -10.6017 -10.5921 -10.5921 -10.4938 -10.4938 -7.4546 -7.4546 -7.4408 -7.4408 -7.4282 -7.4282 -7.3923 -7.3923 -5.2966 -5.2966 -5.2694 -5.2694 -5.2553 -5.2553 -5.2418 -5.2418 -5.2180 -5.2180 -5.1987 -5.1987 -1.3429 -1.3429 -0.9916 -0.9916 -0.9277 -0.9277 -0.8178 -0.8178 -0.1593 -0.1593 0.1766 0.1766 0.4431 0.4431 0.4690 0.4690 0.4760 0.4760 1.4777 1.4777 1.8811 1.8811 1.9816 1.9816 2.4134 2.4134 2.4634 2.4634 2.6322 2.6322 2.8019 2.8019 2.9800 2.9800 3.2265 3.2265 5.4985 5.4985 6.2142 6.2142 7.6189 7.6189 8.0818 8.0818 8.2367 8.2367 8.4115 8.4115 9.4917 9.4917 k = 0.0625 0.0625 0.8364 ( 11344 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0693 -44.0693 -11.0484 -11.0484 -10.6013 -10.6013 -10.5920 -10.5920 -10.4926 -10.4926 -7.4548 -7.4548 -7.4410 -7.4410 -7.4281 -7.4281 -7.3918 -7.3918 -5.2973 -5.2973 -5.2695 -5.2695 -5.2551 -5.2551 -5.2421 -5.2421 -5.2170 -5.2170 -5.1982 -5.1982 -1.3499 -1.3499 -0.9982 -0.9982 -0.9249 -0.9249 -0.8258 -0.8258 -0.1049 -0.1049 0.1731 0.1731 0.3807 0.3807 0.4660 0.4660 0.4728 0.4728 1.4892 1.4892 1.9049 1.9049 2.0055 2.0055 2.4211 2.4211 2.4398 2.4398 2.6618 2.6618 2.8011 2.8011 2.9643 2.9643 3.2237 3.2237 5.5085 5.5085 6.1860 6.1860 7.6035 7.6035 8.0983 8.0983 8.2424 8.2424 8.3915 8.3915 9.5182 9.5182 k = 0.0469 0.0469 0.8364 ( 11342 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0692 -44.0692 -11.0495 -11.0495 -10.6010 -10.6010 -10.5918 -10.5918 -10.4917 -10.4917 -7.4549 -7.4549 -7.4412 -7.4412 -7.4281 -7.4281 -7.3914 -7.3914 -5.2979 -5.2979 -5.2697 -5.2697 -5.2550 -5.2550 -5.2424 -5.2424 -5.2162 -5.2162 -5.1979 -5.1979 -1.3554 -1.3554 -1.0033 -1.0033 -0.9231 -0.9231 -0.8317 -0.8317 -0.0495 -0.0495 0.1703 0.1703 0.3188 0.3188 0.4638 0.4638 0.4703 0.4703 1.4982 1.4982 1.9244 1.9244 2.0256 2.0256 2.4167 2.4167 2.4297 2.4297 2.6848 2.6848 2.8035 2.8035 2.9493 2.9493 3.2215 3.2215 5.5163 5.5163 6.1636 6.1636 7.5913 7.5913 8.1097 8.1097 8.2530 8.2530 8.3708 8.3708 9.5393 9.5393 k = 0.0312 0.0312 0.8364 ( 11334 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0692 -44.0692 -11.0503 -11.0503 -10.6008 -10.6008 -10.5916 -10.5916 -10.4911 -10.4911 -7.4551 -7.4551 -7.4414 -7.4414 -7.4281 -7.4281 -7.3911 -7.3911 -5.2984 -5.2984 -5.2698 -5.2698 -5.2549 -5.2549 -5.2426 -5.2426 -5.2156 -5.2156 -5.1976 -5.1976 -1.3593 -1.3593 -1.0071 -1.0071 -0.9221 -0.9221 -0.8356 -0.8356 0.0063 0.0063 0.1683 0.1683 0.2582 0.2582 0.4622 0.4622 0.4685 0.4685 1.5047 1.5047 1.9390 1.9390 2.0412 2.0412 2.4009 2.4009 2.4335 2.4335 2.7006 2.7006 2.8086 2.8086 2.9362 2.9362 3.2199 3.2199 5.5220 5.5220 6.1473 6.1473 7.5823 7.5823 8.1166 8.1166 8.2678 8.2678 8.3498 8.3498 9.5546 9.5546 k = 0.0156 0.0156 0.8364 ( 11318 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0692 -44.0692 -11.0508 -11.0508 -10.6007 -10.6007 -10.5915 -10.5915 -10.4907 -10.4907 -7.4551 -7.4551 -7.4414 -7.4414 -7.4280 -7.4280 -7.3908 -7.3908 -5.2986 -5.2986 -5.2698 -5.2698 -5.2548 -5.2548 -5.2427 -5.2427 -5.2153 -5.2153 -5.1973 -5.1973 -1.3617 -1.3617 -1.0093 -1.0093 -0.9217 -0.9217 -0.8378 -0.8378 0.0604 0.0604 0.1671 0.1671 0.2014 0.2014 0.4612 0.4612 0.4674 0.4674 1.5087 1.5087 1.9479 1.9479 2.0512 2.0512 2.3902 2.3902 2.4362 2.4362 2.7094 2.7094 2.8142 2.8142 2.9266 2.9266 3.2189 3.2189 5.5254 5.5254 6.1374 6.1374 7.5769 7.5769 8.1201 8.1201 8.2851 8.2851 8.3291 8.3291 9.5639 9.5639 k = 0.0000 0.0000 0.8364 ( 11324 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0692 -44.0692 -11.0509 -11.0509 -10.6007 -10.6007 -10.5915 -10.5915 -10.4906 -10.4906 -7.4552 -7.4552 -7.4415 -7.4415 -7.4280 -7.4280 -7.3908 -7.3908 -5.2987 -5.2987 -5.2699 -5.2699 -5.2548 -5.2548 -5.2428 -5.2428 -5.2152 -5.2152 -5.1973 -5.1973 -1.3625 -1.3625 -1.0100 -1.0100 -0.9215 -0.9215 -0.8385 -0.8385 0.0940 0.0940 0.1646 0.1646 0.1689 0.1689 0.4609 0.4609 0.4670 0.4670 1.5100 1.5100 1.9510 1.9510 2.0547 2.0547 2.3864 2.3864 2.4371 2.4371 2.7121 2.7121 2.8167 2.8167 2.9229 2.9229 3.2186 3.2186 5.5265 5.5265 6.1341 6.1341 7.5751 7.5751 8.1212 8.1212 8.2987 8.2987 8.3146 8.3146 9.5671 9.5672 k = 0.0000 0.5000-0.0000 ( 11346 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0688 -44.0688 -11.0717 -11.0717 -10.6994 -10.6994 -10.5862 -10.5862 -10.5818 -10.5818 -7.4447 -7.4447 -7.4447 -7.4447 -7.4352 -7.4352 -7.4351 -7.4351 -5.2751 -5.2751 -5.2744 -5.2744 -5.2554 -5.2554 -5.2549 -5.2549 -5.2435 -5.2435 -5.2434 -5.2434 -1.6132 -1.6132 -1.0750 -1.0750 -1.0580 -1.0580 -0.7739 -0.7739 0.3319 0.3319 0.6394 0.6394 0.6975 0.6975 0.7482 0.7482 0.8809 0.8809 1.2458 1.2458 1.8624 1.8624 1.8714 1.8714 2.0097 2.0097 2.4663 2.4663 2.5498 2.5498 3.1213 3.1213 3.1372 3.1372 3.3530 3.3530 5.2247 5.2247 7.2122 7.2122 7.4551 7.4551 8.1496 8.1496 8.3658 8.3658 9.5497 9.5497 9.5922 9.5922 k = 0.0000 0.5000 0.0226 ( 11330 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0688 -44.0688 -11.0716 -11.0716 -10.6993 -10.6993 -10.5861 -10.5861 -10.5818 -10.5818 -7.4451 -7.4451 -7.4441 -7.4441 -7.4355 -7.4355 -7.4347 -7.4347 -5.2750 -5.2750 -5.2742 -5.2742 -5.2557 -5.2557 -5.2547 -5.2547 -5.2435 -5.2435 -5.2432 -5.2432 -1.6124 -1.6124 -1.0746 -1.0746 -1.0579 -1.0579 -0.7738 -0.7738 0.3314 0.3314 0.6393 0.6393 0.6961 0.6961 0.7450 0.7450 0.8788 0.8788 1.2497 1.2497 1.8615 1.8615 1.8706 1.8706 2.0108 2.0108 2.4663 2.4663 2.5493 2.5493 3.1224 3.1224 3.1373 3.1373 3.3528 3.3528 5.2248 5.2248 7.2119 7.2119 7.4537 7.4537 8.1507 8.1507 8.3649 8.3649 9.5410 9.5410 9.5931 9.5931 k = 0.0000 0.5000 0.0452 ( 11322 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0688 -44.0688 -11.0712 -11.0712 -10.6990 -10.6990 -10.5859 -10.5859 -10.5816 -10.5816 -7.4455 -7.4455 -7.4436 -7.4436 -7.4358 -7.4358 -7.4342 -7.4342 -5.2749 -5.2749 -5.2740 -5.2740 -5.2562 -5.2562 -5.2545 -5.2545 -5.2435 -5.2435 -5.2429 -5.2429 -1.6100 -1.6100 -1.0731 -1.0731 -1.0576 -1.0576 -0.7735 -0.7735 0.3301 0.3301 0.6388 0.6388 0.6910 0.6910 0.7362 0.7362 0.8733 0.8733 1.2608 1.2608 1.8577 1.8577 1.8697 1.8697 2.0139 2.0139 2.4663 2.4663 2.5482 2.5482 3.1252 3.1252 3.1374 3.1374 3.3520 3.3520 5.2252 5.2252 7.2108 7.2108 7.4497 7.4497 8.1542 8.1542 8.3625 8.3625 9.5201 9.5201 9.5911 9.5911 k = 0.0000 0.5000 0.0678 ( 11318 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0688 -44.0688 -11.0707 -11.0707 -10.6984 -10.6984 -10.5855 -10.5855 -10.5812 -10.5812 -7.4458 -7.4458 -7.4430 -7.4430 -7.4362 -7.4362 -7.4337 -7.4337 -5.2747 -5.2747 -5.2735 -5.2735 -5.2569 -5.2569 -5.2543 -5.2543 -5.2435 -5.2435 -5.2424 -5.2424 -1.6059 -1.6059 -1.0708 -1.0708 -1.0571 -1.0571 -0.7729 -0.7729 0.3278 0.3278 0.6380 0.6380 0.6788 0.6788 0.7258 0.7258 0.8655 0.8655 1.2776 1.2776 1.8495 1.8495 1.8703 1.8703 2.0187 2.0187 2.4652 2.4652 2.5474 2.5474 3.1286 3.1286 3.1386 3.1386 3.3508 3.3508 5.2259 5.2259 7.2089 7.2089 7.4430 7.4430 8.1600 8.1600 8.3586 8.3586 9.4928 9.4928 9.5821 9.5821 k = 0.0000 0.5000 0.0904 ( 11326 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0688 -44.0688 -11.0700 -11.0700 -10.6977 -10.6977 -10.5850 -10.5850 -10.5807 -10.5807 -7.4462 -7.4462 -7.4425 -7.4425 -7.4365 -7.4365 -7.4331 -7.4331 -5.2745 -5.2745 -5.2730 -5.2730 -5.2576 -5.2576 -5.2542 -5.2542 -5.2435 -5.2435 -5.2419 -5.2419 -1.6003 -1.6003 -1.0676 -1.0676 -1.0565 -1.0565 -0.7722 -0.7722 0.3246 0.3246 0.6368 0.6368 0.6562 0.6562 0.7180 0.7180 0.8565 0.8565 1.2984 1.2984 1.8379 1.8379 1.8721 1.8721 2.0246 2.0246 2.4620 2.4620 2.5483 2.5483 3.1304 3.1304 3.1428 3.1428 3.3491 3.3491 5.2269 5.2269 7.2061 7.2061 7.4337 7.4337 8.1680 8.1680 8.3535 8.3535 9.4622 9.4622 9.5653 9.5653 k = 0.0000 0.5000 0.1130 ( 11326 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0688 -44.0688 -11.0691 -11.0691 -10.6968 -10.6968 -10.5844 -10.5844 -10.5801 -10.5801 -7.4465 -7.4465 -7.4418 -7.4418 -7.4368 -7.4368 -7.4325 -7.4325 -5.2742 -5.2742 -5.2724 -5.2724 -5.2584 -5.2584 -5.2541 -5.2541 -5.2434 -5.2434 -5.2414 -5.2414 -1.5932 -1.5932 -1.0635 -1.0635 -1.0557 -1.0557 -0.7713 -0.7713 0.3205 0.3205 0.6238 0.6238 0.6353 0.6353 0.7135 0.7135 0.8469 0.8469 1.3216 1.3216 1.8237 1.8237 1.8746 1.8746 2.0313 2.0313 2.4553 2.4553 2.5522 2.5522 3.1300 3.1300 3.1500 3.1500 3.3468 3.3468 5.2281 5.2281 7.2025 7.2025 7.4217 7.4217 8.1780 8.1780 8.3477 8.3477 9.4305 9.4305 9.5416 9.5416 k = 0.0000 0.5000 0.1356 ( 11310 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0689 -44.0689 -11.0680 -11.0680 -10.6957 -10.6957 -10.5836 -10.5836 -10.5793 -10.5793 -7.4468 -7.4468 -7.4411 -7.4411 -7.4370 -7.4370 -7.4318 -7.4318 -5.2737 -5.2737 -5.2716 -5.2716 -5.2592 -5.2592 -5.2540 -5.2540 -5.2433 -5.2433 -5.2407 -5.2407 -1.5845 -1.5845 -1.0587 -1.0587 -1.0547 -1.0547 -0.7701 -0.7701 0.3155 0.3155 0.5849 0.5849 0.6331 0.6331 0.7107 0.7107 0.8370 0.8370 1.3460 1.3460 1.8073 1.8073 1.8779 1.8779 2.0385 2.0385 2.4449 2.4449 2.5596 2.5596 3.1284 3.1284 3.1587 3.1587 3.3441 3.3441 5.2296 5.2296 7.1979 7.1979 7.4072 7.4072 8.1899 8.1899 8.3415 8.3415 9.3986 9.3986 9.5123 9.5123 k = 0.0000 0.5000 0.1582 ( 11310 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0689 -44.0689 -11.0668 -11.0668 -10.6944 -10.6944 -10.5827 -10.5827 -10.5785 -10.5785 -7.4471 -7.4471 -7.4404 -7.4404 -7.4372 -7.4372 -7.4311 -7.4311 -5.2733 -5.2733 -5.2708 -5.2708 -5.2600 -5.2600 -5.2539 -5.2539 -5.2432 -5.2432 -5.2401 -5.2401 -1.5743 -1.5743 -1.0539 -1.0539 -1.0527 -1.0527 -0.7688 -0.7688 0.3096 0.3096 0.5413 0.5413 0.6302 0.6302 0.7091 0.7091 0.8269 0.8269 1.3707 1.3707 1.7891 1.7891 1.8816 1.8816 2.0460 2.0460 2.4310 2.4310 2.5704 2.5704 3.1261 3.1261 3.1679 3.1679 3.3407 3.3407 5.2314 5.2314 7.1923 7.1923 7.3905 7.3905 8.2033 8.2033 8.3356 8.3356 9.3675 9.3675 9.4788 9.4788 k = 0.0000 0.5000 0.1808 ( 11318 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0689 -44.0689 -11.0653 -11.0653 -10.6929 -10.6929 -10.5817 -10.5817 -10.5775 -10.5775 -7.4473 -7.4473 -7.4396 -7.4396 -7.4375 -7.4375 -7.4304 -7.4304 -5.2729 -5.2729 -5.2699 -5.2699 -5.2608 -5.2608 -5.2537 -5.2537 -5.2432 -5.2432 -5.2395 -5.2395 -1.5626 -1.5626 -1.0524 -1.0524 -1.0468 -1.0468 -0.7674 -0.7674 0.3029 0.3029 0.4944 0.4944 0.6266 0.6266 0.7082 0.7082 0.8167 0.8167 1.3951 1.3951 1.7695 1.7695 1.8859 1.8859 2.0536 2.0536 2.4142 2.4142 2.5841 2.5841 3.1231 3.1231 3.1771 3.1771 3.3368 3.3368 5.2334 5.2334 7.1856 7.1856 7.3718 7.3718 8.2179 8.2179 8.3306 8.3306 9.3375 9.3375 9.4425 9.4425 k = 0.0000 0.5000 0.2035 ( 11322 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0689 -44.0689 -11.0638 -11.0638 -10.6912 -10.6912 -10.5806 -10.5806 -10.5764 -10.5764 -7.4475 -7.4475 -7.4388 -7.4388 -7.4377 -7.4377 -7.4297 -7.4297 -5.2724 -5.2724 -5.2689 -5.2689 -5.2615 -5.2615 -5.2535 -5.2535 -5.2431 -5.2431 -5.2388 -5.2388 -1.5495 -1.5495 -1.0509 -1.0509 -1.0402 -1.0402 -0.7657 -0.7657 0.2954 0.2954 0.4452 0.4452 0.6219 0.6219 0.7081 0.7081 0.8068 0.8068 1.4190 1.4190 1.7485 1.7485 1.8907 1.8907 2.0613 2.0613 2.3951 2.3951 2.6000 2.6000 3.1195 3.1195 3.1858 3.1858 3.3322 3.3322 5.2356 5.2356 7.1778 7.1778 7.3517 7.3517 8.2330 8.2330 8.3271 8.3271 9.3087 9.3087 9.4046 9.4046 k = 0.0000 0.5000 0.2261 ( 11326 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0689 -44.0689 -11.0620 -11.0620 -10.6894 -10.6894 -10.5794 -10.5794 -10.5752 -10.5752 -7.4477 -7.4477 -7.4381 -7.4381 -7.4378 -7.4378 -7.4289 -7.4289 -5.2721 -5.2721 -5.2679 -5.2679 -5.2622 -5.2622 -5.2531 -5.2531 -5.2430 -5.2430 -5.2382 -5.2382 -1.5350 -1.5350 -1.0493 -1.0493 -1.0331 -1.0331 -0.7640 -0.7640 0.2873 0.2873 0.3946 0.3946 0.6162 0.6162 0.7087 0.7087 0.7972 0.7972 1.4421 1.4421 1.7264 1.7264 1.8959 1.8959 2.0690 2.0690 2.3741 2.3741 2.6178 2.6178 3.1152 3.1152 3.1934 3.1934 3.3270 3.3270 5.2380 5.2380 7.1687 7.1687 7.3307 7.3307 8.2476 8.2476 8.3263 8.3263 9.2808 9.2808 9.3659 9.3659 k = 0.0000 0.5000 0.2487 ( 11324 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0689 -44.0689 -11.0601 -11.0601 -10.6875 -10.6875 -10.5780 -10.5780 -10.5739 -10.5739 -7.4479 -7.4479 -7.4382 -7.4382 -7.4370 -7.4370 -7.4280 -7.4280 -5.2718 -5.2718 -5.2669 -5.2669 -5.2628 -5.2628 -5.2526 -5.2526 -5.2430 -5.2430 -5.2377 -5.2377 -1.5192 -1.5192 -1.0476 -1.0476 -1.0257 -1.0257 -0.7621 -0.7621 0.2785 0.2785 0.3431 0.3431 0.6092 0.6092 0.7101 0.7101 0.7884 0.7884 1.4641 1.4641 1.7033 1.7033 1.9015 1.9015 2.0767 2.0767 2.3514 2.3514 2.6370 2.6370 3.1102 3.1102 3.1997 3.1997 3.3210 3.3210 5.2406 5.2406 7.1585 7.1585 7.3095 7.3095 8.2604 8.2604 8.3292 8.3292 9.2537 9.2537 9.3271 9.3271 k = 0.0000 0.5000 0.2713 ( 11332 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0689 -44.0689 -11.0581 -11.0581 -10.6854 -10.6854 -10.5766 -10.5766 -10.5725 -10.5725 -7.4480 -7.4480 -7.4384 -7.4384 -7.4361 -7.4361 -7.4272 -7.4272 -5.2717 -5.2717 -5.2658 -5.2658 -5.2632 -5.2632 -5.2519 -5.2519 -5.2429 -5.2429 -5.2371 -5.2371 -1.5022 -1.5022 -1.0458 -1.0458 -1.0183 -1.0183 -0.7602 -0.7602 0.2683 0.2683 0.2923 0.2923 0.6007 0.6007 0.7123 0.7123 0.7805 0.7805 1.4852 1.4852 1.6795 1.6795 1.9073 1.9073 2.0844 2.0844 2.3273 2.3273 2.6572 2.6572 3.1045 3.1045 3.2043 3.2043 3.3143 3.3143 5.2434 5.2434 7.1470 7.1470 7.2891 7.2891 8.2700 8.2700 8.3372 8.3372 9.2268 9.2268 9.2888 9.2888 k = 0.0000 0.5000 0.2939 ( 11316 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0689 -44.0689 -11.0560 -11.0560 -10.6832 -10.6832 -10.5751 -10.5751 -10.5710 -10.5710 -7.4481 -7.4481 -7.4386 -7.4386 -7.4351 -7.4351 -7.4263 -7.4263 -5.2716 -5.2716 -5.2647 -5.2647 -5.2636 -5.2636 -5.2511 -5.2511 -5.2428 -5.2428 -5.2366 -5.2366 -1.4839 -1.4839 -1.0438 -1.0438 -1.0108 -1.0108 -0.7581 -0.7581 0.2355 0.2355 0.2639 0.2639 0.5906 0.5906 0.7155 0.7155 0.7737 0.7737 1.5052 1.5052 1.6552 1.6552 1.9135 1.9135 2.0920 2.0920 2.3018 2.3018 2.6782 2.6782 3.0981 3.0981 3.2070 3.2070 3.3070 3.3070 5.2463 5.2463 7.1345 7.1345 7.2701 7.2701 8.2762 8.2762 8.3498 8.3498 9.1996 9.1996 9.2511 9.2511 k = 0.0000 0.5000 0.3165 ( 11326 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0690 -44.0690 -11.0538 -11.0538 -10.6809 -10.6809 -10.5736 -10.5736 -10.5695 -10.5695 -7.4482 -7.4482 -7.4388 -7.4388 -7.4341 -7.4341 -7.4254 -7.4254 -5.2717 -5.2717 -5.2639 -5.2639 -5.2637 -5.2637 -5.2502 -5.2502 -5.2427 -5.2427 -5.2361 -5.2361 -1.4646 -1.4646 -1.0418 -1.0418 -1.0035 -1.0035 -0.7561 -0.7561 0.1844 0.1844 0.2543 0.2543 0.5790 0.5790 0.7197 0.7197 0.7683 0.7683 1.5240 1.5240 1.6306 1.6306 1.9199 1.9199 2.0996 2.0996 2.2752 2.2752 2.6995 2.6995 3.0909 3.0909 3.2074 3.2074 3.2991 3.2991 5.2494 5.2494 7.1210 7.1210 7.2532 7.2532 8.2800 8.2800 8.3658 8.3658 9.1719 9.1719 9.2144 9.2144 k = 0.0000 0.5000 0.3391 ( 11318 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0690 -44.0690 -11.0515 -11.0515 -10.6785 -10.6785 -10.5720 -10.5720 -10.5679 -10.5679 -7.4482 -7.4482 -7.4390 -7.4390 -7.4330 -7.4330 -7.4245 -7.4245 -5.2718 -5.2718 -5.2642 -5.2642 -5.2626 -5.2626 -5.2490 -5.2490 -5.2426 -5.2426 -5.2355 -5.2355 -1.4442 -1.4442 -1.0397 -1.0397 -0.9964 -0.9964 -0.7540 -0.7540 0.1327 0.1327 0.2461 0.2461 0.5658 0.5658 0.7249 0.7249 0.7641 0.7641 1.5414 1.5414 1.6064 1.6064 1.9264 1.9264 2.1070 2.1070 2.2473 2.2473 2.7209 2.7209 3.0828 3.0828 3.2056 3.2056 3.2907 3.2907 5.2526 5.2526 7.1071 7.1071 7.2388 7.2388 8.2826 8.2826 8.3833 8.3833 9.1431 9.1431 9.1786 9.1786 k = 0.0000 0.5000 0.3617 ( 11310 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0690 -44.0690 -11.0492 -11.0492 -10.6761 -10.6761 -10.5703 -10.5703 -10.5663 -10.5663 -7.4482 -7.4482 -7.4392 -7.4392 -7.4320 -7.4320 -7.4236 -7.4236 -5.2719 -5.2719 -5.2644 -5.2644 -5.2616 -5.2616 -5.2478 -5.2478 -5.2424 -5.2424 -5.2350 -5.2350 -1.4228 -1.4228 -1.0376 -1.0376 -0.9899 -0.9899 -0.7520 -0.7520 0.0817 0.0817 0.2387 0.2387 0.5513 0.5513 0.7313 0.7313 0.7612 0.7612 1.5543 1.5543 1.5857 1.5857 1.9330 1.9330 2.1144 2.1144 2.2184 2.2184 2.7421 2.7421 3.0737 3.0737 3.2017 3.2017 3.2819 3.2819 5.2558 5.2558 7.0934 7.0934 7.2272 7.2272 8.2847 8.2847 8.4011 8.4011 9.1129 9.1129 9.1440 9.1440 k = 0.0000 0.5000 0.3843 ( 11320 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0690 -44.0690 -11.0468 -11.0468 -10.6736 -10.6736 -10.5686 -10.5686 -10.5646 -10.5646 -7.4483 -7.4483 -7.4395 -7.4395 -7.4309 -7.4309 -7.4227 -7.4227 -5.2722 -5.2722 -5.2646 -5.2646 -5.2607 -5.2607 -5.2467 -5.2467 -5.2422 -5.2422 -5.2345 -5.2345 -1.4007 -1.4007 -1.0354 -1.0354 -0.9839 -0.9839 -0.7501 -0.7501 0.0315 0.0315 0.2324 0.2324 0.5356 0.5356 0.7388 0.7388 0.7594 0.7594 1.5466 1.5466 1.5848 1.5848 1.9397 1.9397 2.1214 2.1214 2.1884 2.1884 2.7627 2.7627 3.0632 3.0632 3.1960 3.1960 3.2729 3.2729 5.2592 5.2592 7.0805 7.0805 7.2183 7.2183 8.2866 8.2866 8.4184 8.4184 9.0812 9.0812 9.1104 9.1104 k = 0.0000 0.5000 0.4069 ( 11330 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0690 -44.0690 -11.0443 -11.0443 -10.6711 -10.6711 -10.5669 -10.5669 -10.5630 -10.5630 -7.4483 -7.4483 -7.4397 -7.4397 -7.4298 -7.4298 -7.4219 -7.4219 -5.2723 -5.2723 -5.2648 -5.2648 -5.2599 -5.2599 -5.2457 -5.2457 -5.2418 -5.2418 -5.2339 -5.2339 -1.3777 -1.3777 -1.0331 -1.0331 -0.9786 -0.9786 -0.7483 -0.7483 -0.0175 -0.0175 0.2273 0.2273 0.5191 0.5191 0.7474 0.7474 0.7587 0.7587 1.5243 1.5243 1.5983 1.5983 1.9462 1.9462 2.1277 2.1277 2.1581 2.1581 2.7824 2.7824 3.0510 3.0510 3.1892 3.1892 3.2636 3.2636 5.2626 5.2626 7.0692 7.0692 7.2121 7.2121 8.2883 8.2883 8.4345 8.4345 9.0479 9.0479 9.0778 9.0778 k = 0.0000 0.5000 0.4295 ( 11344 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0691 -44.0691 -11.0419 -11.0419 -10.6686 -10.6686 -10.5652 -10.5652 -10.5613 -10.5613 -7.4483 -7.4483 -7.4400 -7.4400 -7.4288 -7.4288 -7.4211 -7.4211 -5.2725 -5.2725 -5.2650 -5.2650 -5.2592 -5.2592 -5.2450 -5.2450 -5.2410 -5.2410 -5.2332 -5.2332 -1.3541 -1.3541 -1.0309 -1.0309 -0.9742 -0.9742 -0.7468 -0.7468 -0.0650 -0.0650 0.2235 0.2235 0.5020 0.5020 0.7557 0.7557 0.7604 0.7604 1.5001 1.5001 1.6133 1.6133 1.9526 1.9526 2.1212 2.1212 2.1394 2.1394 2.8008 2.8008 3.0366 3.0366 3.1820 3.1820 3.2541 3.2541 5.2660 5.2660 7.0600 7.0600 7.2084 7.2084 8.2898 8.2898 8.4487 8.4487 9.0132 9.0132 9.0464 9.0464 k = 0.0000 0.5000 0.4521 ( 11340 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0691 -44.0691 -11.0395 -11.0395 -10.6660 -10.6660 -10.5635 -10.5635 -10.5596 -10.5596 -7.4482 -7.4482 -7.4402 -7.4402 -7.4277 -7.4277 -7.4202 -7.4202 -5.2726 -5.2726 -5.2651 -5.2651 -5.2586 -5.2586 -5.2448 -5.2448 -5.2398 -5.2398 -5.2324 -5.2324 -1.3300 -1.3300 -1.0286 -1.0286 -0.9706 -0.9706 -0.7457 -0.7457 -0.1110 -0.1110 0.2212 0.2212 0.4845 0.4845 0.7579 0.7579 0.7701 0.7701 1.4759 1.4759 1.6284 1.6284 1.9583 1.9583 2.0903 2.0903 2.1441 2.1441 2.8177 2.8177 3.0197 3.0197 3.1754 3.1754 3.2446 3.2446 5.2694 5.2694 7.0533 7.0533 7.2070 7.2070 8.2910 8.2910 8.4607 8.4607 8.9772 8.9772 9.0161 9.0161 k = 0.0000 0.5000 0.4747 ( 11350 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0691 -44.0691 -11.0371 -11.0371 -10.6635 -10.6635 -10.5618 -10.5618 -10.5580 -10.5580 -7.4481 -7.4481 -7.4405 -7.4405 -7.4266 -7.4266 -7.4194 -7.4194 -5.2726 -5.2726 -5.2652 -5.2652 -5.2582 -5.2582 -5.2448 -5.2448 -5.2385 -5.2385 -5.2316 -5.2316 -1.3054 -1.3054 -1.0263 -1.0263 -0.9680 -0.9680 -0.7450 -0.7450 -0.1552 -0.1552 0.2204 0.2204 0.4669 0.4669 0.7590 0.7590 0.7829 0.7829 1.4520 1.4520 1.6434 1.6434 1.9628 1.9628 2.0576 2.0576 2.1504 2.1504 2.8326 2.8326 3.0000 3.0000 3.1699 3.1699 3.2351 3.2351 5.2728 5.2728 7.0496 7.0496 7.2079 7.2079 8.2919 8.2919 8.4697 8.4697 8.9403 8.9403 8.9871 8.9871 k = 0.0000 0.5000 0.4973 ( 11350 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0691 -44.0691 -11.0347 -11.0347 -10.6611 -10.6611 -10.5601 -10.5601 -10.5563 -10.5563 -7.4480 -7.4480 -7.4407 -7.4407 -7.4255 -7.4255 -7.4186 -7.4186 -5.2725 -5.2725 -5.2654 -5.2654 -5.2578 -5.2578 -5.2451 -5.2451 -5.2369 -5.2369 -5.2306 -5.2306 -1.2804 -1.2804 -1.0241 -1.0241 -0.9663 -0.9663 -0.7448 -0.7448 -0.1973 -0.1973 0.2212 0.2212 0.4495 0.4495 0.7602 0.7602 0.7973 0.7973 1.4289 1.4289 1.6580 1.6580 1.9636 1.9636 2.0271 2.0271 2.1568 2.1568 2.8455 2.8455 2.9775 2.9775 3.1659 3.1659 3.2260 3.2260 5.2762 5.2762 7.0488 7.0488 7.2108 7.2108 8.2923 8.2923 8.4752 8.4752 8.9031 8.9031 8.9596 8.9596 k = 0.0000 0.5000 0.5199 ( 11354 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0691 -44.0691 -11.0324 -11.0324 -10.6587 -10.6587 -10.5585 -10.5585 -10.5547 -10.5547 -7.4479 -7.4479 -7.4410 -7.4410 -7.4245 -7.4245 -7.4178 -7.4178 -5.2724 -5.2724 -5.2654 -5.2654 -5.2576 -5.2576 -5.2455 -5.2455 -5.2354 -5.2354 -5.2296 -5.2296 -1.2553 -1.2553 -1.0219 -1.0219 -0.9655 -0.9655 -0.7454 -0.7454 -0.2371 -0.2371 0.2233 0.2233 0.4323 0.4323 0.7617 0.7617 0.8132 0.8132 1.4065 1.4065 1.6724 1.6724 1.9530 1.9530 2.0065 2.0065 2.1629 2.1629 2.8560 2.8560 2.9524 2.9524 3.1631 3.1631 3.2179 3.2179 5.2795 5.2795 7.0512 7.0512 7.2156 7.2156 8.2922 8.2922 8.4768 8.4768 8.8662 8.8662 8.9339 8.9339 k = 0.0000 0.5000 0.5425 ( 11358 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0691 -44.0691 -11.0302 -11.0302 -10.6564 -10.6564 -10.5569 -10.5569 -10.5532 -10.5532 -7.4478 -7.4478 -7.4412 -7.4412 -7.4235 -7.4235 -7.4171 -7.4171 -5.2721 -5.2721 -5.2655 -5.2655 -5.2575 -5.2575 -5.2460 -5.2460 -5.2338 -5.2338 -5.2285 -5.2285 -1.2300 -1.2300 -1.0198 -1.0198 -0.9656 -0.9656 -0.7470 -0.7470 -0.2745 -0.2745 0.2268 0.2268 0.4156 0.4156 0.7634 0.7634 0.8308 0.8308 1.3851 1.3851 1.6865 1.6865 1.9255 1.9255 2.0015 2.0015 2.1688 2.1688 2.8640 2.8640 2.9253 2.9253 3.1604 3.1604 3.2120 3.2120 5.2827 5.2827 7.0565 7.0565 7.2220 7.2220 8.2916 8.2916 8.4738 8.4738 8.8303 8.8303 8.9103 8.9103 k = 0.0000 0.5000 0.5651 ( 11350 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0692 -44.0692 -11.0280 -11.0280 -10.6542 -10.6542 -10.5554 -10.5554 -10.5517 -10.5517 -7.4476 -7.4476 -7.4415 -7.4415 -7.4225 -7.4225 -7.4165 -7.4165 -5.2718 -5.2718 -5.2655 -5.2655 -5.2575 -5.2575 -5.2467 -5.2467 -5.2323 -5.2323 -5.2273 -5.2273 -1.2046 -1.2046 -1.0177 -1.0177 -0.9664 -0.9664 -0.7496 -0.7496 -0.3092 -0.3092 0.2315 0.2315 0.3996 0.3996 0.7651 0.7651 0.8500 0.8500 1.3648 1.3648 1.7001 1.7001 1.8899 1.8899 2.0036 2.0036 2.1744 2.1744 2.8689 2.8689 2.8976 2.8976 3.1567 3.1567 3.2094 3.2094 5.2858 5.2858 7.0647 7.0647 7.2299 7.2299 8.2904 8.2904 8.4660 8.4660 8.7959 8.7959 8.8893 8.8893 k = 0.0000 0.5000 0.5877 ( 11354 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0692 -44.0692 -11.0260 -11.0260 -10.6521 -10.6521 -10.5540 -10.5540 -10.5503 -10.5503 -7.4475 -7.4475 -7.4418 -7.4418 -7.4215 -7.4215 -7.4158 -7.4158 -5.2714 -5.2714 -5.2655 -5.2655 -5.2576 -5.2576 -5.2474 -5.2474 -5.2308 -5.2308 -5.2262 -5.2262 -1.1794 -1.1794 -1.0157 -1.0157 -0.9679 -0.9679 -0.7536 -0.7536 -0.3409 -0.3409 0.2371 0.2371 0.3844 0.3844 0.7668 0.7668 0.8707 0.8707 1.3458 1.3458 1.7131 1.7131 1.8516 1.8516 2.0076 2.0076 2.1797 2.1797 2.8605 2.8605 2.8803 2.8803 3.1510 3.1510 3.2107 3.2107 5.2887 5.2887 7.0754 7.0754 7.2389 7.2389 8.2886 8.2886 8.4535 8.4535 8.7635 8.7635 8.8711 8.8711 k = 0.0000 0.5000 0.6104 ( 11356 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0692 -44.0692 -11.0241 -11.0241 -10.6501 -10.6501 -10.5527 -10.5527 -10.5490 -10.5490 -7.4473 -7.4473 -7.4420 -7.4420 -7.4206 -7.4206 -7.4153 -7.4153 -5.2709 -5.2709 -5.2655 -5.2655 -5.2577 -5.2577 -5.2483 -5.2483 -5.2294 -5.2294 -5.2251 -5.2251 -1.1543 -1.1543 -1.0138 -1.0138 -0.9700 -0.9700 -0.7591 -0.7591 -0.3696 -0.3696 0.2433 0.2433 0.3700 0.3700 0.7686 0.7686 0.8931 0.8931 1.3280 1.3280 1.7244 1.7244 1.8130 1.8130 2.0121 2.0121 2.1846 2.1846 2.8327 2.8327 2.8802 2.8802 3.1438 3.1438 3.2152 3.2152 5.2915 5.2915 7.0882 7.0882 7.2487 7.2487 8.2863 8.2863 8.4365 8.4365 8.7333 8.7333 8.8559 8.8559 k = 0.0000 0.5000 0.6330 ( 11352 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0692 -44.0692 -11.0223 -11.0223 -10.6482 -10.6482 -10.5514 -10.5514 -10.5478 -10.5478 -7.4470 -7.4470 -7.4423 -7.4423 -7.4198 -7.4198 -7.4148 -7.4148 -5.2704 -5.2704 -5.2654 -5.2654 -5.2579 -5.2579 -5.2492 -5.2492 -5.2281 -5.2281 -5.2240 -5.2240 -1.1296 -1.1296 -1.0119 -1.0119 -0.9724 -0.9724 -0.7663 -0.7663 -0.3949 -0.3949 0.2500 0.2500 0.3567 0.3567 0.7703 0.7703 0.9170 0.9170 1.3117 1.3117 1.7297 1.7297 1.7792 1.7792 2.0167 2.0167 2.1891 2.1891 2.8028 2.8028 2.8811 2.8811 3.1357 3.1357 3.2219 3.2219 5.2941 5.2941 7.1028 7.1028 7.2590 7.2590 8.2833 8.2833 8.4161 8.4161 8.7056 8.7056 8.8437 8.8437 k = 0.0000 0.5000 0.6556 ( 11368 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0692 -44.0692 -11.0207 -11.0207 -10.6465 -10.6465 -10.5503 -10.5503 -10.5467 -10.5467 -7.4469 -7.4469 -7.4426 -7.4426 -7.4190 -7.4190 -7.4144 -7.4144 -5.2698 -5.2698 -5.2653 -5.2653 -5.2582 -5.2582 -5.2501 -5.2501 -5.2269 -5.2269 -5.2230 -5.2230 -1.1052 -1.1052 -1.0100 -1.0100 -0.9750 -0.9750 -0.7754 -0.7754 -0.4169 -0.4169 0.2569 0.2569 0.3445 0.3445 0.7718 0.7718 0.9423 0.9423 1.2970 1.2970 1.7120 1.7120 1.7677 1.7677 2.0210 2.0210 2.1933 2.1933 2.7734 2.7734 2.8813 2.8813 3.1275 3.1275 3.2296 3.2296 5.2965 5.2965 7.1187 7.1187 7.2694 7.2694 8.2798 8.2798 8.3934 8.3934 8.6802 8.6802 8.8342 8.8342 k = 0.0000 0.5000 0.6782 ( 11356 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0692 -44.0692 -11.0192 -11.0192 -10.6450 -10.6450 -10.5492 -10.5492 -10.5457 -10.5457 -7.4466 -7.4466 -7.4428 -7.4428 -7.4183 -7.4183 -7.4139 -7.4139 -5.2691 -5.2691 -5.2652 -5.2652 -5.2584 -5.2584 -5.2511 -5.2511 -5.2257 -5.2257 -5.2221 -5.2221 -1.0815 -1.0815 -1.0081 -1.0081 -0.9777 -0.9777 -0.7864 -0.7864 -0.4355 -0.4355 0.2636 0.2636 0.3336 0.3336 0.7733 0.7733 0.9687 0.9687 1.2838 1.2838 1.6758 1.6758 1.7740 1.7740 2.0250 2.0250 2.1970 2.1970 2.7453 2.7453 2.8810 2.8810 3.1197 3.1197 3.2378 3.2378 5.2986 5.2986 7.1353 7.1353 7.2796 7.2796 8.2756 8.2756 8.3699 8.3699 8.6572 8.6572 8.8271 8.8271 k = 0.0000 0.5000 0.7008 ( 11348 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0692 -44.0692 -11.0179 -11.0179 -10.6437 -10.6437 -10.5483 -10.5483 -10.5448 -10.5448 -7.4463 -7.4463 -7.4431 -7.4431 -7.4176 -7.4176 -7.4136 -7.4136 -5.2684 -5.2684 -5.2650 -5.2650 -5.2586 -5.2586 -5.2521 -5.2521 -5.2248 -5.2248 -5.2212 -5.2212 -1.0586 -1.0586 -1.0059 -1.0059 -0.9804 -0.9804 -0.7993 -0.7993 -0.4509 -0.4509 0.2700 0.2700 0.3240 0.3240 0.7746 0.7746 0.9958 0.9958 1.2724 1.2724 1.6366 1.6366 1.7834 1.7834 2.0287 2.0287 2.2002 2.2002 2.7193 2.7193 2.8802 2.8802 3.1125 3.1125 3.2458 3.2458 5.3006 5.3006 7.1519 7.1519 7.2891 7.2891 8.2709 8.2709 8.3472 8.3472 8.6368 8.6368 8.8220 8.8220 k = 0.0000 0.5000 0.7234 ( 11336 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0692 -44.0692 -11.0168 -11.0168 -10.6425 -10.6425 -10.5476 -10.5476 -10.5440 -10.5440 -7.4461 -7.4461 -7.4433 -7.4433 -7.4170 -7.4170 -7.4133 -7.4133 -5.2677 -5.2677 -5.2649 -5.2649 -5.2587 -5.2587 -5.2531 -5.2531 -5.2239 -5.2239 -5.2205 -5.2205 -1.0377 -1.0377 -1.0026 -1.0026 -0.9829 -0.9829 -0.8137 -0.8137 -0.4632 -0.4632 0.2758 0.2758 0.3157 0.3157 0.7758 0.7758 1.0229 1.0229 1.2629 1.2629 1.5980 1.5980 1.7928 1.7928 2.0318 2.0318 2.2029 2.2029 2.6960 2.6960 2.8792 2.8792 3.1062 3.1062 3.2532 3.2532 5.3022 5.3022 7.1679 7.1679 7.2976 7.2976 8.2653 8.2653 8.3266 8.3266 8.6191 8.6191 8.8184 8.8184 k = 0.0000 0.5000 0.7460 ( 11344 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0692 -44.0692 -11.0159 -11.0159 -10.6416 -10.6416 -10.5469 -10.5469 -10.5434 -10.5434 -7.4458 -7.4458 -7.4436 -7.4436 -7.4166 -7.4166 -7.4131 -7.4131 -5.2670 -5.2670 -5.2647 -5.2647 -5.2589 -5.2589 -5.2541 -5.2541 -5.2232 -5.2232 -5.2199 -5.2199 -1.0215 -1.0215 -0.9954 -0.9954 -0.9851 -0.9851 -0.8294 -0.8294 -0.4727 -0.4727 0.2808 0.2808 0.3089 0.3089 0.7768 0.7768 1.0492 1.0492 1.2552 1.2552 1.5617 1.5617 1.8011 1.8011 2.0344 2.0344 2.2052 2.2052 2.6759 2.6759 2.8782 2.8782 3.1008 3.1008 3.2596 3.2596 5.3036 5.3036 7.1826 7.1826 7.3048 7.3048 8.2588 8.2588 8.3097 8.3097 8.6043 8.6043 8.8160 8.8160 k = 0.0000 0.5000 0.7686 ( 11336 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0692 -44.0692 -11.0152 -11.0152 -10.6408 -10.6408 -10.5464 -10.5464 -10.5429 -10.5429 -7.4455 -7.4455 -7.4439 -7.4439 -7.4162 -7.4162 -7.4129 -7.4129 -5.2663 -5.2663 -5.2646 -5.2646 -5.2590 -5.2590 -5.2550 -5.2550 -5.2226 -5.2226 -5.2194 -5.2194 -1.0136 -1.0136 -0.9870 -0.9870 -0.9809 -0.9809 -0.8460 -0.8460 -0.4797 -0.4797 0.2848 0.2848 0.3035 0.3035 0.7775 0.7775 1.0731 1.0731 1.2495 1.2495 1.5294 1.5294 1.8081 1.8081 2.0365 2.0365 2.2070 2.2070 2.6597 2.6597 2.8772 2.8772 3.0966 3.0966 3.2649 3.2649 5.3046 5.3046 7.1951 7.1951 7.3105 7.3105 8.2518 8.2518 8.2973 8.2973 8.5925 8.5925 8.8144 8.8144 k = 0.0000 0.5000 0.7912 ( 11350 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0693 -44.0693 -11.0147 -11.0147 -10.6403 -10.6403 -10.5460 -10.5460 -10.5425 -10.5425 -7.4453 -7.4453 -7.4442 -7.4442 -7.4159 -7.4159 -7.4129 -7.4129 -5.2659 -5.2659 -5.2645 -5.2645 -5.2590 -5.2590 -5.2558 -5.2558 -5.2223 -5.2223 -5.2191 -5.2191 -1.0108 -1.0108 -0.9883 -0.9883 -0.9636 -0.9636 -0.8624 -0.8624 -0.4845 -0.4845 0.2878 0.2878 0.2996 0.2996 0.7781 0.7781 1.0927 1.0927 1.2457 1.2457 1.5033 1.5033 1.8133 1.8133 2.0380 2.0380 2.2082 2.2082 2.6477 2.6477 2.8764 2.8764 3.0935 3.0935 3.2687 3.2687 5.3054 5.3054 7.2048 7.2048 7.3145 7.3145 8.2451 8.2451 8.2893 8.2893 8.5840 8.5840 8.8134 8.8134 k = 0.0000 0.5000 0.8138 ( 11338 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0693 -44.0693 -11.0144 -11.0144 -10.6400 -10.6400 -10.5458 -10.5458 -10.5423 -10.5423 -7.4450 -7.4450 -7.4445 -7.4445 -7.4157 -7.4157 -7.4128 -7.4128 -5.2655 -5.2655 -5.2644 -5.2644 -5.2589 -5.2589 -5.2564 -5.2564 -5.2220 -5.2220 -5.2188 -5.2188 -1.0096 -1.0096 -0.9891 -0.9891 -0.9483 -0.9483 -0.8766 -0.8766 -0.4873 -0.4873 0.2897 0.2897 0.2973 0.2973 0.7784 0.7784 1.1059 1.1059 1.2437 1.2437 1.4860 1.4860 1.8165 1.8165 2.0390 2.0390 2.2090 2.2090 2.6403 2.6403 2.8760 2.8760 3.0916 3.0916 3.2711 3.2711 5.3059 5.3059 7.2109 7.2109 7.3169 7.3169 8.2404 8.2404 8.2850 8.2850 8.5788 8.5788 8.8129 8.8129 k = 0.0000 0.5000 0.8364 ( 11348 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0693 -44.0693 -11.0142 -11.0142 -10.6399 -10.6399 -10.5457 -10.5457 -10.5422 -10.5422 -7.4448 -7.4448 -7.4447 -7.4447 -7.4157 -7.4157 -7.4127 -7.4127 -5.2654 -5.2654 -5.2644 -5.2644 -5.2589 -5.2589 -5.2566 -5.2566 -5.2220 -5.2220 -5.2188 -5.2188 -1.0093 -1.0093 -0.9894 -0.9894 -0.9414 -0.9414 -0.8831 -0.8831 -0.4882 -0.4882 0.2903 0.2903 0.2965 0.2965 0.7785 0.7785 1.1105 1.1105 1.2431 1.2431 1.4799 1.4799 1.8176 1.8176 2.0393 2.0393 2.2092 2.2092 2.6378 2.6378 2.8758 2.8758 3.0910 3.0910 3.2719 3.2719 5.3060 5.3060 7.2130 7.2130 7.3177 7.3177 8.2386 8.2386 8.2836 8.2836 8.5771 8.5771 8.8127 8.8127 k = 0.5000 0.5000-0.0000 ( 11344 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0688 -44.0688 -11.0111 -11.0111 -10.6659 -10.6659 -10.6536 -10.6536 -10.6224 -10.6224 -7.4499 -7.4499 -7.4418 -7.4418 -7.4350 -7.4350 -7.4333 -7.4333 -5.2840 -5.2840 -5.2751 -5.2751 -5.2512 -5.2512 -5.2503 -5.2503 -5.2437 -5.2437 -5.2409 -5.2409 -1.2074 -1.2074 -0.9985 -0.9985 -0.9965 -0.9965 -0.7059 -0.7059 -0.5210 -0.5210 0.6962 0.6962 0.7029 0.7029 0.7364 0.7364 0.7677 0.7677 1.4268 1.4268 1.6125 1.6125 1.8365 1.8365 2.4557 2.4557 2.7219 2.7219 2.7598 2.7598 2.8223 2.8223 3.1094 3.1094 3.2336 3.2336 4.7299 4.7299 6.9220 6.9220 7.0311 7.0311 8.8544 8.8544 9.1037 9.1037 9.9485 9.9485 10.1810 10.1810 k = 0.5000 0.5000 0.0226 ( 11344 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0688 -44.0688 -11.0110 -11.0110 -10.6658 -10.6658 -10.6535 -10.6535 -10.6224 -10.6224 -7.4499 -7.4499 -7.4418 -7.4418 -7.4350 -7.4350 -7.4333 -7.4333 -5.2839 -5.2839 -5.2750 -5.2750 -5.2512 -5.2512 -5.2503 -5.2503 -5.2437 -5.2437 -5.2410 -5.2410 -1.2072 -1.2072 -0.9983 -0.9983 -0.9963 -0.9963 -0.7058 -0.7058 -0.5205 -0.5205 0.6936 0.6936 0.7054 0.7054 0.7352 0.7352 0.7687 0.7687 1.4239 1.4239 1.6132 1.6132 1.8347 1.8347 2.4570 2.4570 2.7197 2.7197 2.7562 2.7562 2.8239 2.8239 3.1111 3.1111 3.2347 3.2347 4.7305 4.7305 6.9246 6.9246 7.0326 7.0326 8.8525 8.8525 9.1001 9.1001 9.9445 9.9445 10.1754 10.1754 k = 0.5000 0.5000 0.0452 ( 11352 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0688 -44.0688 -11.0109 -11.0109 -10.6654 -10.6654 -10.6531 -10.6531 -10.6222 -10.6222 -7.4499 -7.4499 -7.4417 -7.4417 -7.4348 -7.4348 -7.4334 -7.4334 -5.2838 -5.2838 -5.2748 -5.2748 -5.2511 -5.2511 -5.2504 -5.2504 -5.2437 -5.2437 -5.2412 -5.2412 -1.2068 -1.2068 -0.9977 -0.9977 -0.9957 -0.9957 -0.7056 -0.7056 -0.5191 -0.5191 0.6890 0.6890 0.7096 0.7096 0.7320 0.7320 0.7712 0.7712 1.4152 1.4152 1.6151 1.6151 1.8290 1.8290 2.4606 2.4606 2.7133 2.7133 2.7466 2.7466 2.8279 2.8279 3.1160 3.1160 3.2380 3.2380 4.7322 4.7322 6.9326 6.9326 7.0372 7.0372 8.8469 8.8469 9.0896 9.0896 9.9324 9.9324 10.1588 10.1588 k = 0.5000 0.5000 0.0678 ( 11360 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0688 -44.0688 -11.0106 -11.0106 -10.6648 -10.6648 -10.6525 -10.6525 -10.6220 -10.6220 -7.4499 -7.4499 -7.4415 -7.4415 -7.4346 -7.4346 -7.4335 -7.4335 -5.2834 -5.2834 -5.2743 -5.2743 -5.2510 -5.2510 -5.2505 -5.2505 -5.2438 -5.2438 -5.2415 -5.2415 -1.2061 -1.2061 -0.9967 -0.9967 -0.9946 -0.9946 -0.7051 -0.7051 -0.5167 -0.5167 0.6839 0.6839 0.7140 0.7140 0.7273 0.7273 0.7748 0.7748 1.4009 1.4009 1.6184 1.6184 1.8197 1.8197 2.4661 2.4661 2.7035 2.7035 2.7322 2.7322 2.8331 2.8331 3.1236 3.1236 3.2433 3.2433 4.7350 4.7350 6.9456 6.9456 7.0447 7.0447 8.8376 8.8376 9.0724 9.0724 9.9127 9.9127 10.1317 10.1317 k = 0.5000 0.5000 0.0904 ( 11344 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0688 -44.0688 -11.0102 -11.0102 -10.6639 -10.6639 -10.6516 -10.6516 -10.6216 -10.6216 -7.4498 -7.4498 -7.4412 -7.4412 -7.4342 -7.4342 -7.4336 -7.4336 -5.2829 -5.2829 -5.2736 -5.2736 -5.2509 -5.2509 -5.2506 -5.2506 -5.2438 -5.2438 -5.2419 -5.2419 -1.2052 -1.2052 -0.9953 -0.9953 -0.9932 -0.9932 -0.7045 -0.7045 -0.5134 -0.5134 0.6786 0.6786 0.7185 0.7185 0.7216 0.7216 0.7790 0.7790 1.3814 1.3814 1.6229 1.6229 1.8069 1.8069 2.4729 2.4729 2.6912 2.6912 2.7142 2.7142 2.8386 2.8386 3.1336 3.1336 3.2504 3.2504 4.7389 4.7389 6.9637 6.9637 7.0550 7.0550 8.8249 8.8249 9.0489 9.0489 9.8857 9.8857 10.0947 10.0947 k = 0.5000 0.5000 0.1130 ( 11352 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0688 -44.0688 -11.0097 -11.0097 -10.6628 -10.6628 -10.6505 -10.6505 -10.6212 -10.6212 -7.4497 -7.4497 -7.4409 -7.4409 -7.4339 -7.4339 -7.4338 -7.4338 -5.2823 -5.2823 -5.2728 -5.2728 -5.2507 -5.2507 -5.2507 -5.2507 -5.2439 -5.2439 -5.2425 -5.2425 -1.2040 -1.2040 -0.9936 -0.9936 -0.9915 -0.9915 -0.7038 -0.7038 -0.5091 -0.5091 0.6731 0.6731 0.7152 0.7152 0.7230 0.7230 0.7835 0.7835 1.3572 1.3572 1.6286 1.6286 1.7907 1.7907 2.4796 2.4796 2.6779 2.6779 2.6933 2.6933 2.8441 2.8441 3.1451 3.1451 3.2587 3.2587 4.7437 4.7437 6.9863 6.9863 7.0679 7.0679 8.8088 8.8088 9.0195 9.0195 9.8520 9.8520 10.0490 10.0490 k = 0.5000 0.5000 0.1356 ( 11352 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0689 -44.0689 -11.0091 -11.0091 -10.6615 -10.6615 -10.6491 -10.6491 -10.6207 -10.6207 -7.4496 -7.4496 -7.4404 -7.4404 -7.4341 -7.4341 -7.4333 -7.4333 -5.2816 -5.2816 -5.2719 -5.2719 -5.2509 -5.2509 -5.2505 -5.2505 -5.2440 -5.2440 -5.2431 -5.2431 -1.2026 -1.2026 -0.9915 -0.9915 -0.9893 -0.9893 -0.7028 -0.7028 -0.5040 -0.5040 0.6675 0.6675 0.7083 0.7083 0.7276 0.7276 0.7884 0.7884 1.3287 1.3287 1.6354 1.6354 1.7712 1.7712 2.4845 2.4845 2.6657 2.6657 2.6698 2.6698 2.8495 2.8495 3.1577 3.1577 3.2679 3.2679 4.7495 4.7495 7.0133 7.0133 7.0832 7.0832 8.7897 8.7897 8.9850 8.9850 9.8124 9.8124 9.9954 9.9954 k = 0.5000 0.5000 0.1582 ( 11328 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0689 -44.0689 -11.0084 -11.0084 -10.6599 -10.6599 -10.6475 -10.6475 -10.6201 -10.6201 -7.4495 -7.4495 -7.4399 -7.4399 -7.4343 -7.4343 -7.4326 -7.4326 -5.2807 -5.2807 -5.2708 -5.2708 -5.2511 -5.2511 -5.2502 -5.2502 -5.2440 -5.2440 -5.2438 -5.2438 -1.2008 -1.2008 -0.9891 -0.9891 -0.9869 -0.9869 -0.7017 -0.7017 -0.4980 -0.4980 0.6617 0.6617 0.7010 0.7010 0.7324 0.7324 0.7935 0.7935 1.2966 1.2966 1.6434 1.6434 1.7488 1.7488 2.4851 2.4851 2.6441 2.6441 2.6572 2.6572 2.8550 2.8550 3.1709 3.1709 3.2778 3.2778 4.7562 4.7562 7.0440 7.0440 7.1006 7.1006 8.7678 8.7678 8.9461 8.9461 9.7677 9.7677 9.9351 9.9351 k = 0.5000 0.5000 0.1808 ( 11328 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0689 -44.0689 -11.0075 -11.0075 -10.6582 -10.6582 -10.6457 -10.6457 -10.6194 -10.6194 -7.4494 -7.4494 -7.4394 -7.4394 -7.4346 -7.4346 -7.4318 -7.4318 -5.2798 -5.2798 -5.2696 -5.2696 -5.2513 -5.2513 -5.2500 -5.2500 -5.2445 -5.2445 -5.2439 -5.2439 -1.1989 -1.1989 -0.9864 -0.9864 -0.9841 -0.9841 -0.7005 -0.7005 -0.4913 -0.4913 0.6560 0.6560 0.6934 0.6934 0.7373 0.7373 0.7989 0.7989 1.2612 1.2612 1.6525 1.6525 1.7236 1.7236 2.4790 2.4790 2.6165 2.6165 2.6548 2.6548 2.8606 2.8606 3.1843 3.1843 3.2880 3.2880 4.7636 4.7636 7.0781 7.0781 7.1196 7.1196 8.7434 8.7434 8.9035 8.9035 9.7187 9.7187 9.8692 9.8692 k = 0.5000 0.5000 0.2035 ( 11324 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0689 -44.0689 -11.0066 -11.0066 -10.6562 -10.6562 -10.6437 -10.6437 -10.6186 -10.6186 -7.4494 -7.4494 -7.4389 -7.4389 -7.4349 -7.4349 -7.4310 -7.4310 -5.2788 -5.2788 -5.2685 -5.2685 -5.2516 -5.2516 -5.2499 -5.2499 -5.2450 -5.2450 -5.2437 -5.2437 -1.1967 -1.1967 -0.9835 -0.9835 -0.9811 -0.9811 -0.6991 -0.6991 -0.4837 -0.4837 0.6502 0.6502 0.6856 0.6856 0.7424 0.7424 0.8046 0.8046 1.2232 1.2232 1.6625 1.6625 1.6960 1.6960 2.4653 2.4653 2.5870 2.5870 2.6595 2.6595 2.8662 2.8662 3.1975 3.1975 3.2981 3.2981 4.7717 4.7717 7.1148 7.1148 7.1399 7.1399 8.7171 8.7171 8.8581 8.8581 9.6664 9.6664 9.7988 9.7988 k = 0.5000 0.5000 0.2261 ( 11304 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0689 -44.0689 -11.0057 -11.0057 -10.6541 -10.6541 -10.6416 -10.6416 -10.6177 -10.6177 -7.4492 -7.4492 -7.4384 -7.4384 -7.4350 -7.4350 -7.4301 -7.4301 -5.2778 -5.2778 -5.2673 -5.2673 -5.2518 -5.2518 -5.2500 -5.2500 -5.2454 -5.2454 -5.2434 -5.2434 -1.1943 -1.1943 -0.9803 -0.9803 -0.9779 -0.9779 -0.6976 -0.6976 -0.4755 -0.4755 0.6446 0.6446 0.6778 0.6778 0.7478 0.7478 0.8106 0.8106 1.1829 1.1829 1.6663 1.6663 1.6736 1.6736 2.4448 2.4448 2.5559 2.5559 2.6706 2.6706 2.8720 2.8720 3.2104 3.2104 3.3081 3.3081 4.7804 4.7804 7.1534 7.1534 7.1610 7.1610 8.6892 8.6892 8.8106 8.8106 9.6113 9.6113 9.7248 9.7248 k = 0.5000 0.5000 0.2487 ( 11304 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7323 -44.7323 -44.0689 -44.0689 -11.0046 -11.0046 -10.6518 -10.6518 -10.6392 -10.6392 -10.6168 -10.6168 -7.4492 -7.4492 -7.4380 -7.4380 -7.4351 -7.4351 -7.4291 -7.4291 -5.2767 -5.2767 -5.2663 -5.2663 -5.2522 -5.2522 -5.2505 -5.2505 -5.2454 -5.2454 -5.2428 -5.2428 -1.1918 -1.1918 -0.9770 -0.9770 -0.9745 -0.9745 -0.6960 -0.6960 -0.4666 -0.4666 0.6391 0.6391 0.6698 0.6698 0.7535 0.7535 0.8170 0.8170 1.1409 1.1409 1.6346 1.6346 1.6855 1.6855 2.4189 2.4189 2.5234 2.5234 2.6863 2.6863 2.8781 2.8781 3.2228 3.2228 3.3176 3.3176 4.7895 4.7895 7.1825 7.1825 7.1933 7.1933 8.6603 8.6603 8.7620 8.7620 9.5544 9.5544 9.6481 9.6481 k = 0.5000 0.5000 0.2713 ( 11304 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0689 -44.0689 -11.0035 -11.0035 -10.6493 -10.6493 -10.6367 -10.6367 -10.6159 -10.6159 -7.4492 -7.4492 -7.4380 -7.4380 -7.4348 -7.4348 -7.4280 -7.4280 -5.2757 -5.2757 -5.2653 -5.2653 -5.2525 -5.2525 -5.2513 -5.2513 -5.2450 -5.2450 -5.2420 -5.2420 -1.1890 -1.1890 -0.9736 -0.9736 -0.9709 -0.9709 -0.6943 -0.6943 -0.4571 -0.4571 0.6339 0.6339 0.6620 0.6620 0.7595 0.7595 0.8238 0.8238 1.0975 1.0975 1.6014 1.6014 1.6983 1.6983 2.3893 2.3893 2.4895 2.4895 2.7052 2.7052 2.8843 2.8843 3.2344 3.2344 3.3265 3.3265 4.7991 4.7991 7.2038 7.2038 7.2336 7.2336 8.6309 8.6309 8.7131 8.7131 9.4962 9.4962 9.5697 9.5697 k = 0.5000 0.5000 0.2939 ( 11324 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0689 -44.0689 -11.0023 -11.0023 -10.6467 -10.6467 -10.6341 -10.6341 -10.6148 -10.6148 -7.4492 -7.4492 -7.4382 -7.4382 -7.4343 -7.4343 -7.4269 -7.4269 -5.2748 -5.2748 -5.2646 -5.2646 -5.2530 -5.2530 -5.2523 -5.2523 -5.2444 -5.2444 -5.2410 -5.2410 -1.1861 -1.1861 -0.9700 -0.9700 -0.9673 -0.9673 -0.6925 -0.6925 -0.4470 -0.4470 0.6290 0.6290 0.6543 0.6543 0.7659 0.7659 0.8311 0.8311 1.0533 1.0533 1.5669 1.5669 1.7118 1.7118 2.3568 2.3568 2.4543 2.4543 2.7262 2.7262 2.8908 2.8908 3.2453 3.2453 3.3348 3.3348 4.8089 4.8089 7.2244 7.2244 7.2734 7.2734 8.6017 8.6017 8.6646 8.6646 9.4373 9.4373 9.4902 9.4902 k = 0.5000 0.5000 0.3165 ( 11308 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0690 -44.0690 -11.0010 -11.0010 -10.6440 -10.6440 -10.6313 -10.6313 -10.6138 -10.6138 -7.4492 -7.4492 -7.4386 -7.4386 -7.4336 -7.4336 -7.4256 -7.4256 -5.2739 -5.2739 -5.2640 -5.2640 -5.2535 -5.2535 -5.2534 -5.2534 -5.2435 -5.2435 -5.2396 -5.2396 -1.1830 -1.1830 -0.9665 -0.9665 -0.9636 -0.9636 -0.6906 -0.6906 -0.4366 -0.4366 0.6245 0.6245 0.6470 0.6470 0.7727 0.7727 0.8390 0.8390 1.0084 1.0084 1.5314 1.5314 1.7261 1.7261 2.3222 2.3222 2.4180 2.4180 2.7487 2.7487 2.8975 2.8975 3.2555 3.2555 3.3424 3.3424 4.8190 4.8190 7.2436 7.2436 7.3118 7.3118 8.5732 8.5732 8.6175 8.6175 9.3781 9.3781 9.4105 9.4105 k = 0.5000 0.5000 0.3391 ( 11308 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0690 -44.0690 -10.9998 -10.9998 -10.6412 -10.6412 -10.6284 -10.6284 -10.6127 -10.6127 -7.4492 -7.4492 -7.4391 -7.4391 -7.4328 -7.4328 -7.4243 -7.4243 -5.2731 -5.2731 -5.2636 -5.2636 -5.2546 -5.2546 -5.2540 -5.2540 -5.2425 -5.2425 -5.2380 -5.2380 -1.1797 -1.1797 -0.9629 -0.9629 -0.9599 -0.9599 -0.6887 -0.6887 -0.4257 -0.4257 0.6206 0.6206 0.6400 0.6400 0.7800 0.7800 0.8475 0.8475 0.9634 0.9634 1.4952 1.4952 1.7409 1.7409 2.2859 2.2859 2.3806 2.3806 2.7719 2.7719 2.9044 2.9044 3.2648 3.2648 3.3491 3.3491 4.8293 4.8293 7.2610 7.2610 7.3478 7.3478 8.5460 8.5460 8.5724 8.5724 9.3192 9.3192 9.3310 9.3310 k = 0.5000 0.5000 0.3617 ( 11292 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0690 -44.0690 -10.9984 -10.9984 -10.6383 -10.6383 -10.6255 -10.6255 -10.6115 -10.6115 -7.4492 -7.4492 -7.4396 -7.4396 -7.4319 -7.4319 -7.4230 -7.4230 -5.2724 -5.2724 -5.2634 -5.2634 -5.2557 -5.2557 -5.2545 -5.2545 -5.2412 -5.2412 -5.2360 -5.2360 -1.1764 -1.1764 -0.9594 -0.9594 -0.9562 -0.9562 -0.6867 -0.6867 -0.4145 -0.4145 0.6172 0.6172 0.6334 0.6334 0.7878 0.7878 0.8566 0.8566 0.9186 0.9186 1.4587 1.4587 1.7561 1.7561 2.2482 2.2482 2.3422 2.3422 2.7957 2.7957 2.9115 2.9115 3.2734 3.2734 3.3551 3.3551 4.8396 4.8396 7.2758 7.2758 7.3805 7.3805 8.5207 8.5207 8.5300 8.5300 9.2524 9.2524 9.2609 9.2609 k = 0.5000 0.5000 0.3843 ( 11300 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0690 -44.0690 -10.9971 -10.9971 -10.6353 -10.6353 -10.6225 -10.6225 -10.6104 -10.6104 -7.4492 -7.4492 -7.4402 -7.4402 -7.4310 -7.4310 -7.4216 -7.4216 -5.2719 -5.2719 -5.2634 -5.2634 -5.2568 -5.2568 -5.2551 -5.2551 -5.2399 -5.2399 -5.2338 -5.2338 -1.1729 -1.1729 -0.9559 -0.9559 -0.9527 -0.9527 -0.6846 -0.6846 -0.4032 -0.4032 0.6144 0.6144 0.6274 0.6274 0.7959 0.7959 0.8664 0.8664 0.8744 0.8744 1.4220 1.4220 1.7718 1.7718 2.2093 2.2093 2.3029 2.3029 2.8196 2.8196 2.9188 2.9188 3.2813 3.2813 3.3603 3.3603 4.8499 4.8499 7.2877 7.2877 7.4092 7.4092 8.4911 8.4911 8.4976 8.4976 9.1752 9.1752 9.2035 9.2035 k = 0.5000 0.5000 0.4069 ( 11324 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0690 -44.0690 -10.9957 -10.9957 -10.6323 -10.6323 -10.6194 -10.6194 -10.6092 -10.6092 -7.4493 -7.4493 -7.4409 -7.4409 -7.4301 -7.4301 -7.4203 -7.4203 -5.2716 -5.2716 -5.2635 -5.2635 -5.2579 -5.2579 -5.2558 -5.2558 -5.2385 -5.2385 -5.2315 -5.2315 -1.1694 -1.1694 -0.9526 -0.9526 -0.9492 -0.9492 -0.6826 -0.6826 -0.3917 -0.3917 0.6123 0.6123 0.6219 0.6219 0.8026 0.8026 0.8330 0.8330 0.8769 0.8769 1.3855 1.3855 1.7878 1.7878 2.1694 2.1694 2.2627 2.2627 2.8435 2.8435 2.9262 2.9262 3.2884 3.2884 3.3647 3.3647 4.8602 4.8602 7.2962 7.2962 7.4332 7.4332 8.4560 8.4560 8.4771 8.4771 9.0998 9.0998 9.1474 9.1474 k = 0.5000 0.5000 0.4295 ( 11332 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0690 -44.0690 -10.9944 -10.9944 -10.6293 -10.6293 -10.6164 -10.6164 -10.6080 -10.6080 -7.4494 -7.4494 -7.4415 -7.4415 -7.4291 -7.4291 -7.4189 -7.4189 -5.2716 -5.2716 -5.2638 -5.2638 -5.2587 -5.2587 -5.2564 -5.2564 -5.2370 -5.2370 -5.2291 -5.2291 -1.1658 -1.1658 -0.9495 -0.9495 -0.9460 -0.9460 -0.6805 -0.6805 -0.3801 -0.3801 0.6108 0.6108 0.6171 0.6171 0.7825 0.7825 0.8200 0.8200 0.8883 0.8883 1.3493 1.3493 1.8039 1.8039 2.1286 2.1286 2.2217 2.2217 2.8671 2.8671 2.9337 2.9337 3.2950 3.2950 3.3683 3.3683 4.8703 4.8703 7.3009 7.3009 7.4519 7.4519 8.4253 8.4253 8.4591 8.4591 9.0266 9.0266 9.0927 9.0927 k = 0.5000 0.5000 0.4521 ( 11344 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0691 -44.0691 -10.9930 -10.9930 -10.6263 -10.6263 -10.6133 -10.6133 -10.6068 -10.6068 -7.4495 -7.4495 -7.4422 -7.4422 -7.4282 -7.4282 -7.4175 -7.4175 -5.2718 -5.2718 -5.2641 -5.2641 -5.2594 -5.2594 -5.2570 -5.2570 -5.2354 -5.2354 -5.2266 -5.2266 -1.1622 -1.1622 -0.9465 -0.9465 -0.9429 -0.9429 -0.6785 -0.6785 -0.3685 -0.3685 0.6101 0.6101 0.6129 0.6129 0.7422 0.7422 0.8292 0.8292 0.9006 0.9006 1.3138 1.3138 1.8201 1.8201 2.0871 2.0871 2.1801 2.1801 2.8901 2.8901 2.9413 2.9413 3.3011 3.3011 3.3713 3.3713 4.8803 4.8803 7.3016 7.3016 7.4653 7.4653 8.3991 8.3991 8.4437 8.4437 8.9560 8.9560 9.0397 9.0397 k = 0.5000 0.5000 0.4747 ( 11328 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0691 -44.0691 -10.9917 -10.9917 -10.6233 -10.6233 -10.6103 -10.6103 -10.6056 -10.6056 -7.4496 -7.4496 -7.4428 -7.4428 -7.4272 -7.4272 -7.4161 -7.4161 -5.2722 -5.2722 -5.2645 -5.2645 -5.2599 -5.2599 -5.2576 -5.2576 -5.2337 -5.2337 -5.2239 -5.2239 -1.1586 -1.1586 -0.9438 -0.9438 -0.9400 -0.9400 -0.6764 -0.6764 -0.3570 -0.3570 0.6094 0.6094 0.6099 0.6099 0.7019 0.7019 0.8407 0.8407 0.9138 0.9138 1.2792 1.2792 1.8363 1.8363 2.0449 2.0449 2.1378 2.1378 2.9125 2.9125 2.9489 2.9489 3.3068 3.3068 3.3736 3.3736 4.8901 4.8901 7.2985 7.2985 7.4734 7.4734 8.3776 8.3776 8.4304 8.4304 8.8884 8.8884 8.9886 8.9886 k = 0.5000 0.5000 0.4973 ( 11328 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0691 -44.0691 -10.9904 -10.9904 -10.6204 -10.6204 -10.6073 -10.6073 -10.6045 -10.6045 -7.4497 -7.4497 -7.4434 -7.4434 -7.4263 -7.4263 -7.4147 -7.4147 -5.2729 -5.2729 -5.2650 -5.2650 -5.2602 -5.2602 -5.2581 -5.2581 -5.2319 -5.2319 -5.2213 -5.2213 -1.1550 -1.1550 -0.9413 -0.9413 -0.9374 -0.9374 -0.6744 -0.6744 -0.3458 -0.3458 0.6066 0.6066 0.6104 0.6104 0.6628 0.6628 0.8536 0.8536 0.9280 0.9280 1.2458 1.2458 1.8522 1.8522 2.0022 2.0022 2.0950 2.0950 2.9341 2.9341 2.9565 2.9565 3.3122 3.3122 3.3753 3.3753 4.8996 4.8996 7.2916 7.2916 7.4766 7.4766 8.3604 8.3604 8.4187 8.4187 8.8239 8.8239 8.9396 8.9396 k = 0.5000 0.5000 0.5199 ( 11336 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0691 -44.0691 -10.9891 -10.9891 -10.6175 -10.6175 -10.6046 -10.6046 -10.6032 -10.6032 -7.4498 -7.4498 -7.4441 -7.4441 -7.4254 -7.4254 -7.4134 -7.4134 -5.2737 -5.2737 -5.2655 -5.2655 -5.2604 -5.2604 -5.2587 -5.2587 -5.2302 -5.2302 -5.2187 -5.2187 -1.1515 -1.1515 -0.9390 -0.9390 -0.9351 -0.9351 -0.6725 -0.6725 -0.3348 -0.3348 0.6044 0.6044 0.6114 0.6114 0.6254 0.6254 0.8677 0.8677 0.9431 0.9431 1.2137 1.2137 1.8679 1.8679 1.9592 1.9592 2.0518 2.0518 2.9545 2.9545 2.9640 2.9640 3.3174 3.3174 3.3765 3.3765 4.9087 4.9087 7.2813 7.2813 7.4755 7.4755 8.3474 8.3474 8.4082 8.4082 8.7630 8.7630 8.8929 8.8929 k = 0.5000 0.5000 0.5425 ( 11360 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0691 -44.0691 -10.9878 -10.9878 -10.6148 -10.6148 -10.6026 -10.6026 -10.6013 -10.6013 -7.4500 -7.4500 -7.4448 -7.4448 -7.4245 -7.4245 -7.4121 -7.4121 -5.2747 -5.2747 -5.2661 -5.2661 -5.2606 -5.2606 -5.2592 -5.2592 -5.2286 -5.2286 -5.2161 -5.2161 -1.1481 -1.1481 -0.9370 -0.9370 -0.9329 -0.9329 -0.6706 -0.6706 -0.3241 -0.3241 0.5897 0.5897 0.6027 0.6027 0.6130 0.6130 0.8830 0.8830 0.9592 0.9592 1.1833 1.1833 1.8831 1.8831 1.9159 1.9159 2.0084 2.0084 2.9713 2.9713 2.9738 2.9738 3.3225 3.3225 3.3773 3.3773 4.9174 4.9174 7.2682 7.2682 7.4707 7.4707 8.3380 8.3380 8.3983 8.3983 8.7057 8.7057 8.8487 8.8487 k = 0.5000 0.5000 0.5651 ( 11356 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0692 -44.0692 -10.9866 -10.9866 -10.6121 -10.6121 -10.6014 -10.6014 -10.5987 -10.5987 -7.4500 -7.4500 -7.4453 -7.4453 -7.4237 -7.4237 -7.4108 -7.4108 -5.2757 -5.2757 -5.2667 -5.2667 -5.2606 -5.2606 -5.2597 -5.2597 -5.2269 -5.2269 -5.2137 -5.2137 -1.1447 -1.1447 -0.9352 -0.9352 -0.9311 -0.9311 -0.6689 -0.6689 -0.3139 -0.3139 0.5561 0.5561 0.6016 0.6016 0.6148 0.6148 0.8996 0.8996 0.9760 0.9760 1.1549 1.1549 1.8724 1.8724 1.8979 1.8979 1.9649 1.9649 2.9784 2.9784 2.9916 2.9916 3.3275 3.3275 3.3777 3.3777 4.9258 4.9258 7.2528 7.2528 7.4631 7.4631 8.3318 8.3318 8.3886 8.3886 8.6524 8.6524 8.8071 8.8071 k = 0.5000 0.5000 0.5877 ( 11348 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0692 -44.0692 -10.9855 -10.9855 -10.6096 -10.6096 -10.6004 -10.6004 -10.5962 -10.5962 -7.4501 -7.4501 -7.4459 -7.4459 -7.4229 -7.4229 -7.4096 -7.4096 -5.2766 -5.2766 -5.2672 -5.2672 -5.2605 -5.2605 -5.2601 -5.2601 -5.2252 -5.2252 -5.2113 -5.2113 -1.1415 -1.1415 -0.9337 -0.9337 -0.9295 -0.9295 -0.6671 -0.6671 -0.3042 -0.3042 0.5246 0.5246 0.6010 0.6010 0.6170 0.6170 0.9174 0.9174 0.9933 0.9933 1.1290 1.1290 1.8292 1.8292 1.9120 1.9120 1.9215 1.9215 2.9852 2.9852 3.0081 3.0081 3.3326 3.3326 3.3777 3.3777 4.9336 4.9336 7.2359 7.2359 7.4534 7.4534 8.3279 8.3279 8.3788 8.3788 8.6032 8.6032 8.7682 8.7682 k = 0.5000 0.5000 0.6104 ( 11348 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0692 -44.0692 -10.9844 -10.9844 -10.6072 -10.6072 -10.5995 -10.5995 -10.5938 -10.5938 -7.4502 -7.4502 -7.4464 -7.4464 -7.4221 -7.4221 -7.4085 -7.4085 -5.2776 -5.2776 -5.2678 -5.2678 -5.2605 -5.2605 -5.2604 -5.2604 -5.2237 -5.2237 -5.2090 -5.2090 -1.1385 -1.1385 -0.9325 -0.9325 -0.9282 -0.9282 -0.6656 -0.6656 -0.2950 -0.2950 0.4955 0.4955 0.6008 0.6008 0.6194 0.6194 0.9365 0.9365 1.0099 1.0099 1.1067 1.1067 1.7862 1.7862 1.8783 1.8783 1.9253 1.9253 2.9918 2.9918 3.0229 3.0229 3.3378 3.3378 3.3776 3.3776 4.9410 4.9410 7.2180 7.2180 7.4423 7.4423 8.3258 8.3258 8.3688 8.3688 8.5584 8.5584 8.7322 8.7322 k = 0.5000 0.5000 0.6330 ( 11360 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0692 -44.0692 -10.9834 -10.9834 -10.6050 -10.6050 -10.5986 -10.5986 -10.5915 -10.5915 -7.4503 -7.4503 -7.4470 -7.4470 -7.4214 -7.4214 -7.4074 -7.4074 -5.2786 -5.2786 -5.2684 -5.2684 -5.2608 -5.2608 -5.2604 -5.2604 -5.2222 -5.2222 -5.2069 -5.2069 -1.1356 -1.1356 -0.9314 -0.9314 -0.9270 -0.9270 -0.6641 -0.6641 -0.2865 -0.2865 0.4687 0.4687 0.6008 0.6008 0.6218 0.6218 0.9568 0.9568 1.0229 1.0229 1.0912 1.0912 1.7438 1.7438 1.8358 1.8358 1.9377 1.9377 2.9979 2.9979 3.0361 3.0361 3.3429 3.3429 3.3773 3.3773 4.9477 4.9477 7.1999 7.1999 7.4305 7.4305 8.3248 8.3248 8.3585 8.3585 8.5183 8.5183 8.6993 8.6993 k = 0.5000 0.5000 0.6556 ( 11376 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0692 -44.0692 -10.9825 -10.9825 -10.6030 -10.6030 -10.5979 -10.5979 -10.5895 -10.5895 -7.4505 -7.4505 -7.4475 -7.4475 -7.4208 -7.4208 -7.4065 -7.4065 -5.2796 -5.2796 -5.2690 -5.2690 -5.2612 -5.2612 -5.2604 -5.2604 -5.2209 -5.2209 -5.2050 -5.2050 -1.1330 -1.1330 -0.9305 -0.9305 -0.9261 -0.9261 -0.6627 -0.6627 -0.2788 -0.2788 0.4445 0.4445 0.6012 0.6012 0.6242 0.6242 0.9781 0.9781 1.0257 1.0257 1.0889 1.0889 1.7023 1.7023 1.7941 1.7941 1.9491 1.9491 3.0035 3.0035 3.0476 3.0476 3.3481 3.3481 3.3768 3.3768 4.9538 4.9538 7.1820 7.1820 7.4186 7.4186 8.3243 8.3243 8.3482 8.3482 8.4830 8.4830 8.6694 8.6694 k = 0.5000 0.5000 0.6782 ( 11352 PWs) bands (ev): -80.0682 -80.0682 -48.9273 -48.9273 -44.7322 -44.7322 -44.0692 -44.0692 -10.9817 -10.9817 -10.6012 -10.6012 -10.5972 -10.5972 -10.5876 -10.5876 -7.4505 -7.4505 -7.4479 -7.4479 -7.4201 -7.4201 -7.4056 -7.4056 -5.2803 -5.2803 -5.2694 -5.2694 -5.2614 -5.2614 -5.2603 -5.2603 -5.2196 -5.2196 -5.2032 -5.2032 -1.1306 -1.1306 -0.9298 -0.9298 -0.9254 -0.9254 -0.6615 -0.6615 -0.2718 -0.2718 0.4229 0.4229 0.6016 0.6016 0.6266 0.6266 1.0001 1.0001 1.0173 1.0173 1.1009 1.1009 1.6620 1.6620 1.7536 1.7536 1.9595 1.9595 3.0086 3.0086 3.0576 3.0576 3.3531 3.3531 3.3764 3.3764 4.9594 4.9594 7.1651 7.1651 7.4071 7.4071 8.3233 8.3233 8.3381 8.3381 8.4531 8.4531 8.6428 8.6428 k = 0.5000 0.5000 0.7008 ( 11388 PWs) bands (ev): -80.0682 -80.0682 -48.9274 -48.9274 -44.7322 -44.7322 -44.0692 -44.0692 -10.9810 -10.9810 -10.5996 -10.5996 -10.5965 -10.5965 -10.5860 -10.5860 -7.4507 -7.4507 -7.4483 -7.4483 -7.4197 -7.4197 -7.4049 -7.4049 -5.2812 -5.2812 -5.2699 -5.2699 -5.2617 -5.2617 -5.2603 -5.2603 -5.2185 -5.2185 -5.2017 -5.2017 -1.1285 -1.1285 -0.9293 -0.9293 -0.9248 -0.9248 -0.6604 -0.6604 -0.2656 -0.2656 0.4040 0.4040 0.6022 0.6022 0.6288 0.6288 1.0048 1.0048 1.0226 1.0226 1.1196 1.1196 1.6235 1.6235 1.7150 1.7150 1.9686 1.9686 3.0132 3.0132 3.0659 3.0659 3.3578 3.3578 3.3758 3.3758 4.9642 4.9642 7.1494 7.1494 7.3963 7.3963 8.3214 8.3214 8.3286 8.3286 8.4289 8.4289 8.6195 8.6195 k = 0.5000 0.5000 0.7234 ( 11380 PWs) bands (ev): -80.0682 -80.0682 -48.9274 -48.9274 -44.7322 -44.7322 -44.0692 -44.0692 -10.9804 -10.9804 -10.5982 -10.5982 -10.5960 -10.5960 -10.5846 -10.5846 -7.4507 -7.4507 -7.4486 -7.4486 -7.4192 -7.4192 -7.4042 -7.4042 -5.2818 -5.2818 -5.2703 -5.2703 -5.2619 -5.2619 -5.2602 -5.2602 -5.2176 -5.2176 -5.2003 -5.2003 -1.1267 -1.1267 -0.9289 -0.9289 -0.9243 -0.9243 -0.6595 -0.6595 -0.2602 -0.2602 0.3879 0.3879 0.6028 0.6028 0.6307 0.6307 0.9925 0.9925 1.0449 1.0449 1.1403 1.1403 1.5875 1.5875 1.6788 1.6788 1.9765 1.9765 3.0171 3.0171 3.0728 3.0728 3.3622 3.3622 3.3753 3.3753 4.9684 4.9684 7.1355 7.1355 7.3867 7.3867 8.3178 8.3178 8.3198 8.3198 8.4107 8.4107 8.5997 8.5997 k = 0.5000 0.5000 0.7460 ( 11376 PWs) bands (ev): -80.0682 -80.0682 -48.9274 -48.9274 -44.7322 -44.7322 -44.0692 -44.0692 -10.9799 -10.9799 -10.5971 -10.5971 -10.5956 -10.5956 -10.5834 -10.5834 -7.4508 -7.4508 -7.4489 -7.4489 -7.4189 -7.4189 -7.4036 -7.4036 -5.2823 -5.2823 -5.2706 -5.2706 -5.2621 -5.2621 -5.2601 -5.2601 -5.2168 -5.2168 -5.1992 -5.1992 -1.1252 -1.1252 -0.9286 -0.9286 -0.9240 -0.9240 -0.6587 -0.6587 -0.2558 -0.2558 0.3747 0.3747 0.6034 0.6034 0.6324 0.6324 0.9817 0.9817 1.0663 1.0663 1.1609 1.1609 1.5548 1.5548 1.6459 1.6459 1.9831 1.9831 3.0204 3.0204 3.0783 3.0783 3.3660 3.3660 3.3748 3.3748 4.9718 4.9718 7.1237 7.1237 7.3785 7.3785 8.3121 8.3121 8.3126 8.3126 8.3984 8.3984 8.5833 8.5833 k = 0.5000 0.5000 0.7686 ( 11384 PWs) bands (ev): -80.0682 -80.0682 -48.9274 -48.9274 -44.7322 -44.7322 -44.0693 -44.0693 -10.9795 -10.9795 -10.5962 -10.5962 -10.5952 -10.5952 -10.5825 -10.5825 -7.4508 -7.4508 -7.4491 -7.4491 -7.4186 -7.4186 -7.4033 -7.4033 -5.2827 -5.2827 -5.2708 -5.2708 -5.2622 -5.2622 -5.2601 -5.2601 -5.2162 -5.2162 -5.1984 -5.1984 -1.1240 -1.1240 -0.9284 -0.9284 -0.9238 -0.9238 -0.6581 -0.6581 -0.2523 -0.2523 0.3643 0.3643 0.6038 0.6038 0.6337 0.6337 0.9731 0.9731 1.0855 1.0855 1.1798 1.1798 1.5266 1.5266 1.6176 1.6176 1.9883 1.9883 3.0230 3.0230 3.0824 3.0824 3.3691 3.3691 3.3744 3.3744 4.9745 4.9745 7.1143 7.1143 7.3719 7.3719 8.3059 8.3059 8.3066 8.3066 8.3908 8.3908 8.5705 8.5705 k = 0.5000 0.5000 0.7912 ( 11384 PWs) bands (ev): -80.0682 -80.0682 -48.9274 -48.9274 -44.7322 -44.7322 -44.0693 -44.0693 -10.9792 -10.9792 -10.5955 -10.5955 -10.5950 -10.5950 -10.5819 -10.5819 -7.4508 -7.4508 -7.4492 -7.4492 -7.4184 -7.4184 -7.4029 -7.4029 -5.2831 -5.2831 -5.2710 -5.2710 -5.2623 -5.2623 -5.2600 -5.2600 -5.2158 -5.2158 -5.1978 -5.1978 -1.1231 -1.1231 -0.9282 -0.9282 -0.9236 -0.9236 -0.6577 -0.6577 -0.2499 -0.2499 0.3569 0.3569 0.6042 0.6042 0.6347 0.6347 0.9668 0.9668 1.1012 1.1012 1.1954 1.1954 1.5045 1.5045 1.5954 1.5954 1.9920 1.9920 3.0249 3.0249 3.0853 3.0853 3.3714 3.3714 3.3741 3.3741 4.9765 4.9765 7.1074 7.1074 7.3671 7.3671 8.3012 8.3012 8.3013 8.3013 8.3866 8.3866 8.5613 8.5613 k = 0.5000 0.5000 0.8138 ( 11384 PWs) bands (ev): -80.0682 -80.0682 -48.9274 -48.9274 -44.7322 -44.7322 -44.0693 -44.0693 -10.9790 -10.9790 -10.5951 -10.5951 -10.5948 -10.5948 -10.5815 -10.5815 -7.4509 -7.4509 -7.4493 -7.4493 -7.4183 -7.4183 -7.4028 -7.4028 -5.2832 -5.2832 -5.2711 -5.2711 -5.2623 -5.2623 -5.2601 -5.2601 -5.2155 -5.2155 -5.1974 -5.1974 -1.1226 -1.1226 -0.9281 -0.9281 -0.9235 -0.9235 -0.6574 -0.6574 -0.2484 -0.2484 0.3524 0.3524 0.6045 0.6045 0.6353 0.6353 0.9630 0.9630 1.1116 1.1116 1.2057 1.2057 1.4903 1.4903 1.5810 1.5810 1.9942 1.9942 3.0260 3.0260 3.0870 3.0870 3.3729 3.3729 3.3740 3.3740 4.9776 4.9776 7.1031 7.1031 7.3641 7.3641 8.2976 8.2976 8.2984 8.2984 8.3846 8.3846 8.5558 8.5558 k = 0.5000 0.5000 0.8364 ( 11376 PWs) bands (ev): -80.0682 -80.0682 -48.9274 -48.9274 -44.7322 -44.7322 -44.0693 -44.0693 -10.9790 -10.9790 -10.5950 -10.5950 -10.5948 -10.5948 -10.5813 -10.5813 -7.4509 -7.4509 -7.4493 -7.4493 -7.4182 -7.4182 -7.4027 -7.4027 -5.2833 -5.2833 -5.2712 -5.2712 -5.2623 -5.2623 -5.2601 -5.2601 -5.2154 -5.2154 -5.1972 -5.1972 -1.1224 -1.1224 -0.9281 -0.9281 -0.9235 -0.9235 -0.6574 -0.6574 -0.2479 -0.2479 0.3509 0.3509 0.6045 0.6045 0.6355 0.6355 0.9617 0.9617 1.1153 1.1153 1.2094 1.2094 1.4853 1.4853 1.5760 1.5760 1.9950 1.9950 3.0264 3.0264 3.0876 3.0876 3.3734 3.3734 3.3739 3.3739 4.9780 4.9780 7.1017 7.1017 7.3631 7.3631 8.2963 8.2963 8.2974 8.2974 8.3840 8.3840 8.5540 8.5540 Writing output data file Tl2PdCl4.save init_run : 0.68s CPU 0.91s WALL ( 1 calls) electrons : 381.58s CPU 385.79s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.06s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 381.58s CPU 385.78s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.18s CPU 0.31s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.12s WALL ( 272 calls) cegterg : 350.34s CPU 353.54s WALL ( 290 calls) Called by sum_band: Called by *egterg: h_psi : 223.54s CPU 226.70s WALL ( 5140 calls) s_psi : 12.40s CPU 12.52s WALL ( 5140 calls) g_psi : 0.42s CPU 0.39s WALL ( 4578 calls) cdiaghg : 99.21s CPU 99.47s WALL ( 4850 calls) cegterg:over : 17.72s CPU 17.90s WALL ( 4578 calls) cegterg:upda : 12.23s CPU 12.08s WALL ( 4578 calls) cegterg:last : 7.32s CPU 7.36s WALL ( 834 calls) cdiaghg:chol : 4.38s CPU 4.44s WALL ( 4850 calls) cdiaghg:inve : 3.40s CPU 3.23s WALL ( 4850 calls) cdiaghg:para : 6.20s CPU 6.18s WALL ( 9700 calls) Called by h_psi: h_psi:vloc : 196.12s CPU 199.34s WALL ( 5140 calls) h_psi:vnl : 26.99s CPU 26.97s WALL ( 5140 calls) add_vuspsi : 14.47s CPU 14.33s WALL ( 5140 calls) General routines calbec : 12.48s CPU 12.62s WALL ( 5140 calls) fft : 0.02s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 186.69s CPU 189.62s WALL ( 942616 calls) interpolate : 0.00s CPU 0.01s WALL ( 4 calls) davcio : 0.27s CPU 0.38s WALL ( 544 calls) Parallel routines fft_scatter : 111.95s CPU 114.31s WALL ( 942639 calls) PWSCF : 7m17.58s CPU 7m45.61s WALL This run was terminated on: 9:38:46 31Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=