Program PWSCF v.5.3.0 (svn rev. 11974) starts on 31Jan2017 at 9:33:54 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: ./Rb2PdCl6.save/ file Rb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 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 93 40 11 5018 1414 204 Max 94 41 12 5023 1440 208 Sum 6697 2905 805 361467 102923 14841 bravais-lattice index = 14 lattice parameter (alat) = 13.3490 a.u. unit-cell volume = 1682.0271 (a.u.)^3 number of atoms/cell = 9 number of atomic types = 3 number of electrons = 78.00 number of Kohn-Sham states= 94 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)= 13.349018 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.500000 celldm(5)= 0.500000 celldm(6)= 0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.500000 0.866025 0.000000 ) a(3) = ( 0.500000 0.288675 0.816497 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.577350 -0.408248 ) b(2) = ( 0.000000 1.154701 -0.408248 ) b(3) = ( 0.000000 0.000000 1.224745 ) PseudoPot. # 1 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 PseudoPot. # 2 for Rb read from file: /users/gautes/Pseudo/Rb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 948b8f0a9070089a35782939cf30e963 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1219 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 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 atomic species valence mass pseudopotential Cl 7.00 35.45300 Cl( 1.00) Rb 9.00 85.46780 Rb( 1.00) Pd 18.00 106.42000 Pd( 1.00) 12 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 [1,0,0] cryst. s( 2) = ( 1 0 0 ) ( 1 -1 0 ) ( 1 0 -1 ) cart. s( 2) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 4) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( -1 1 0 ) ( 0 1 0 ) ( 0 1 -1 ) cart. s( 6) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inversion cryst. s( 7) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 7) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 8) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 1 -1 0 ) ( 1 0 0 ) ( 1 0 -1 ) cart. s( 9) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 0 1 0 ) ( -1 1 0 ) ( 0 1 -1 ) cart. s(10) = ( 0.5000000 -0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_3d (-3m) there are 12 classes and 6 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -2.00 2.00 -1.00 1.00 0.00 0.00 G_5- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 G_6- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5+ 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_6+ 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5- 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_6- 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 5 -6 180 deg rotation - cart. axis [1,0,0] 3C2' 6 -5 -2 180 deg rotation - cryst. axis [1,1,0] i 7 inversion -i -7 inversion E 2S6 9 10 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -9 -10 inv. 120 deg rotation - cryst. axis [0,0,1] E 3s_v 8 11 -12 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 12 -11 -8 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 219 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045662 k( 2) = ( 0.0156250 -0.0090211 0.0127578), wk = 0.0045662 k( 3) = ( 0.0312500 -0.0180422 0.0255155), wk = 0.0045662 k( 4) = ( 0.0468750 -0.0270633 0.0382733), wk = 0.0045662 k( 5) = ( 0.0625000 -0.0360844 0.0510310), wk = 0.0045662 k( 6) = ( 0.0781250 -0.0451055 0.0637888), wk = 0.0045662 k( 7) = ( 0.0937500 -0.0541266 0.0765466), wk = 0.0045662 k( 8) = ( 0.1093750 -0.0631477 0.0893043), wk = 0.0045662 k( 9) = ( 0.1250000 -0.0721688 0.1020621), wk = 0.0045662 k( 10) = ( 0.1406250 -0.0811899 0.1148198), wk = 0.0045662 k( 11) = ( 0.1562500 -0.0902110 0.1275776), wk = 0.0045662 k( 12) = ( 0.1718750 -0.0992321 0.1403353), wk = 0.0045662 k( 13) = ( 0.1875000 -0.1082532 0.1530931), wk = 0.0045662 k( 14) = ( 0.2031250 -0.1172743 0.1658509), wk = 0.0045662 k( 15) = ( 0.2187500 -0.1262954 0.1786086), wk = 0.0045662 k( 16) = ( 0.2343750 -0.1353165 0.1913664), wk = 0.0045662 k( 17) = ( 0.2500000 -0.1443376 0.2041241), wk = 0.0045662 k( 18) = ( 0.2656250 -0.1533587 0.2168819), wk = 0.0045662 k( 19) = ( 0.2812500 -0.1623798 0.2296397), wk = 0.0045662 k( 20) = ( 0.2968750 -0.1714009 0.2423974), wk = 0.0045662 k( 21) = ( 0.3125000 -0.1804220 0.2551552), wk = 0.0045662 k( 22) = ( 0.3281250 -0.1894431 0.2679129), wk = 0.0045662 k( 23) = ( 0.3437500 -0.1984642 0.2806707), wk = 0.0045662 k( 24) = ( 0.3593750 -0.2074853 0.2934285), wk = 0.0045662 k( 25) = ( 0.3750000 -0.2165064 0.3061862), wk = 0.0045662 k( 26) = ( 0.3906250 -0.2255274 0.3189440), wk = 0.0045662 k( 27) = ( 0.4062500 -0.2345485 0.3317017), wk = 0.0045662 k( 28) = ( 0.4218750 -0.2435696 0.3444595), wk = 0.0045662 k( 29) = ( 0.4375000 -0.2525907 0.3572173), wk = 0.0045662 k( 30) = ( 0.4531250 -0.2616118 0.3699750), wk = 0.0045662 k( 31) = ( 0.4687500 -0.2706329 0.3827328), wk = 0.0045662 k( 32) = ( 0.4843750 -0.2796540 0.3954905), wk = 0.0045662 k( 33) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0045662 k( 34) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0045662 k( 35) = ( 0.5000000 -0.2706329 0.4210060), wk = 0.0045662 k( 36) = ( 0.5000000 -0.2525907 0.4337638), wk = 0.0045662 k( 37) = ( 0.5000000 -0.2345485 0.4465216), wk = 0.0045662 k( 38) = ( 0.5000000 -0.2165064 0.4592793), wk = 0.0045662 k( 39) = ( 0.5000000 -0.1984642 0.4720371), wk = 0.0045662 k( 40) = ( 0.5000000 -0.1804220 0.4847948), wk = 0.0045662 k( 41) = ( 0.5000000 -0.1623798 0.4975526), wk = 0.0045662 k( 42) = ( 0.5000000 -0.1443376 0.5103104), wk = 0.0045662 k( 43) = ( 0.5000000 -0.1262954 0.5230681), wk = 0.0045662 k( 44) = ( 0.5000000 -0.1082532 0.5358259), wk = 0.0045662 k( 45) = ( 0.5000000 -0.0902110 0.5485836), wk = 0.0045662 k( 46) = ( 0.5000000 -0.0721688 0.5613414), wk = 0.0045662 k( 47) = ( 0.5000000 -0.0541266 0.5740992), wk = 0.0045662 k( 48) = ( 0.5000000 -0.0360844 0.5868569), wk = 0.0045662 k( 49) = ( 0.5000000 -0.0180422 0.5996147), wk = 0.0045662 k( 50) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0045662 k( 51) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0045662 k( 52) = ( 0.4895833 0.0180422 0.6123724), wk = 0.0045662 k( 53) = ( 0.4791667 0.0360844 0.6123724), wk = 0.0045662 k( 54) = ( 0.4687500 0.0541266 0.6123724), wk = 0.0045662 k( 55) = ( 0.4583333 0.0721688 0.6123724), wk = 0.0045662 k( 56) = ( 0.4479167 0.0902110 0.6123724), wk = 0.0045662 k( 57) = ( 0.4375000 0.1082532 0.6123724), wk = 0.0045662 k( 58) = ( 0.4270833 0.1262954 0.6123724), wk = 0.0045662 k( 59) = ( 0.4166667 0.1443376 0.6123724), wk = 0.0045662 k( 60) = ( 0.4062500 0.1623798 0.6123724), wk = 0.0045662 k( 61) = ( 0.3958333 0.1804220 0.6123724), wk = 0.0045662 k( 62) = ( 0.3854167 0.1984641 0.6123724), wk = 0.0045662 k( 63) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0045662 k( 64) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0045662 k( 65) = ( 0.3639706 0.2101385 0.5943615), wk = 0.0045662 k( 66) = ( 0.3529412 0.2037707 0.5763505), wk = 0.0045662 k( 67) = ( 0.3419118 0.1974028 0.5583396), wk = 0.0045662 k( 68) = ( 0.3308823 0.1910350 0.5403286), wk = 0.0045662 k( 69) = ( 0.3198529 0.1846672 0.5223177), wk = 0.0045662 k( 70) = ( 0.3088235 0.1782993 0.5043067), wk = 0.0045662 k( 71) = ( 0.2977941 0.1719315 0.4862958), wk = 0.0045662 k( 72) = ( 0.2867647 0.1655637 0.4682848), wk = 0.0045662 k( 73) = ( 0.2757353 0.1591958 0.4502739), wk = 0.0045662 k( 74) = ( 0.2647059 0.1528280 0.4322629), wk = 0.0045662 k( 75) = ( 0.2536765 0.1464602 0.4142519), wk = 0.0045662 k( 76) = ( 0.2426471 0.1400923 0.3962410), wk = 0.0045662 k( 77) = ( 0.2316177 0.1337245 0.3782300), wk = 0.0045662 k( 78) = ( 0.2205882 0.1273567 0.3602191), wk = 0.0045662 k( 79) = ( 0.2095588 0.1209888 0.3422081), wk = 0.0045662 k( 80) = ( 0.1985294 0.1146210 0.3241972), wk = 0.0045662 k( 81) = ( 0.1875000 0.1082532 0.3061862), wk = 0.0045662 k( 82) = ( 0.1764706 0.1018853 0.2881753), wk = 0.0045662 k( 83) = ( 0.1654412 0.0955175 0.2701643), wk = 0.0045662 k( 84) = ( 0.1544118 0.0891497 0.2521534), wk = 0.0045662 k( 85) = ( 0.1433823 0.0827818 0.2341424), wk = 0.0045662 k( 86) = ( 0.1323529 0.0764140 0.2161314), wk = 0.0045662 k( 87) = ( 0.1213235 0.0700462 0.1981205), wk = 0.0045662 k( 88) = ( 0.1102941 0.0636783 0.1801095), wk = 0.0045662 k( 89) = ( 0.0992647 0.0573105 0.1620986), wk = 0.0045662 k( 90) = ( 0.0882353 0.0509427 0.1440876), wk = 0.0045662 k( 91) = ( 0.0772059 0.0445748 0.1260767), wk = 0.0045662 k( 92) = ( 0.0661765 0.0382070 0.1080657), wk = 0.0045662 k( 93) = ( 0.0551471 0.0318392 0.0900548), wk = 0.0045662 k( 94) = ( 0.0441177 0.0254713 0.0720438), wk = 0.0045662 k( 95) = ( 0.0330882 0.0191035 0.0540329), wk = 0.0045662 k( 96) = ( 0.0220588 0.0127357 0.0360219), wk = 0.0045662 k( 97) = ( 0.0110294 0.0063678 0.0180110), wk = 0.0045662 k( 98) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045662 k( 99) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045662 k( 100) = ( 0.0178571 0.0103098 0.0072901), wk = 0.0045662 k( 101) = ( 0.0357143 0.0206197 0.0145803), wk = 0.0045662 k( 102) = ( 0.0535714 0.0309295 0.0218704), wk = 0.0045662 k( 103) = ( 0.0714286 0.0412393 0.0291606), wk = 0.0045662 k( 104) = ( 0.0892857 0.0515491 0.0364507), wk = 0.0045662 k( 105) = ( 0.1071429 0.0618590 0.0437409), wk = 0.0045662 k( 106) = ( 0.1250000 0.0721688 0.0510310), wk = 0.0045662 k( 107) = ( 0.1428571 0.0824786 0.0583212), wk = 0.0045662 k( 108) = ( 0.1607143 0.0927884 0.0656113), wk = 0.0045662 k( 109) = ( 0.1785714 0.1030983 0.0729015), wk = 0.0045662 k( 110) = ( 0.1964286 0.1134081 0.0801916), wk = 0.0045662 k( 111) = ( 0.2142857 0.1237179 0.0874818), wk = 0.0045662 k( 112) = ( 0.2321429 0.1340277 0.0947719), wk = 0.0045662 k( 113) = ( 0.2500000 0.1443376 0.1020621), wk = 0.0045662 k( 114) = ( 0.2678571 0.1546474 0.1093522), wk = 0.0045662 k( 115) = ( 0.2857143 0.1649572 0.1166424), wk = 0.0045662 k( 116) = ( 0.3035714 0.1752670 0.1239325), wk = 0.0045662 k( 117) = ( 0.3214286 0.1855769 0.1312227), wk = 0.0045662 k( 118) = ( 0.3392857 0.1958867 0.1385128), wk = 0.0045662 k( 119) = ( 0.3571429 0.2061965 0.1458030), wk = 0.0045662 k( 120) = ( 0.3750000 0.2165064 0.1530931), wk = 0.0045662 k( 121) = ( 0.3928571 0.2268162 0.1603833), wk = 0.0045662 k( 122) = ( 0.4107143 0.2371260 0.1676734), wk = 0.0045662 k( 123) = ( 0.4285714 0.2474358 0.1749636), wk = 0.0045662 k( 124) = ( 0.4464286 0.2577457 0.1822537), wk = 0.0045662 k( 125) = ( 0.4642857 0.2680555 0.1895438), wk = 0.0045662 k( 126) = ( 0.4821429 0.2783653 0.1968340), wk = 0.0045662 k( 127) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0045662 k( 128) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0045662 k( 129) = ( 0.5062500 0.2706329 0.2143304), wk = 0.0045662 k( 130) = ( 0.5125000 0.2525907 0.2245366), wk = 0.0045662 k( 131) = ( 0.5187500 0.2345485 0.2347428), wk = 0.0045662 k( 132) = ( 0.5250000 0.2165064 0.2449490), wk = 0.0045662 k( 133) = ( 0.5312500 0.1984642 0.2551552), wk = 0.0045662 k( 134) = ( 0.5375000 0.1804220 0.2653614), wk = 0.0045662 k( 135) = ( 0.5437500 0.1623798 0.2755676), wk = 0.0045662 k( 136) = ( 0.5500000 0.1443376 0.2857738), wk = 0.0045662 k( 137) = ( 0.5562500 0.1262954 0.2959800), wk = 0.0045662 k( 138) = ( 0.5625000 0.1082532 0.3061862), wk = 0.0045662 k( 139) = ( 0.5687500 0.0902110 0.3163924), wk = 0.0045662 k( 140) = ( 0.5750000 0.0721688 0.3265986), wk = 0.0045662 k( 141) = ( 0.5812500 0.0541266 0.3368048), wk = 0.0045662 k( 142) = ( 0.5875000 0.0360844 0.3470110), wk = 0.0045662 k( 143) = ( 0.5937500 0.0180422 0.3572173), wk = 0.0045662 k( 144) = ( 0.6000000 0.0000000 0.3674235), wk = 0.0045662 k( 145) = ( 0.6062500 -0.0180422 0.3776297), wk = 0.0045662 k( 146) = ( 0.6125000 -0.0360844 0.3878359), wk = 0.0045662 k( 147) = ( 0.6187500 -0.0541266 0.3980421), wk = 0.0045662 k( 148) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0045662 k( 149) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0045662 k( 150) = ( 0.6145833 -0.0661547 0.4252586), wk = 0.0045662 k( 151) = ( 0.6041667 -0.0601407 0.4422690), wk = 0.0045662 k( 152) = ( 0.5937500 -0.0541266 0.4592793), wk = 0.0045662 k( 153) = ( 0.5833333 -0.0481125 0.4762897), wk = 0.0045662 k( 154) = ( 0.5729167 -0.0420985 0.4933000), wk = 0.0045662 k( 155) = ( 0.5625000 -0.0360844 0.5103104), wk = 0.0045662 k( 156) = ( 0.5520833 -0.0300703 0.5273207), wk = 0.0045662 k( 157) = ( 0.5416667 -0.0240563 0.5443310), wk = 0.0045662 k( 158) = ( 0.5312500 -0.0180422 0.5613414), wk = 0.0045662 k( 159) = ( 0.5208333 -0.0120281 0.5783518), wk = 0.0045662 k( 160) = ( 0.5104167 -0.0060141 0.5953621), wk = 0.0045662 k( 161) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0045662 k( 162) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0045662 k( 163) = ( 0.5000000 0.0125511 0.5946225), wk = 0.0045662 k( 164) = ( 0.5000000 0.0251022 0.5768726), wk = 0.0045662 k( 165) = ( 0.5000000 0.0376533 0.5591227), wk = 0.0045662 k( 166) = ( 0.5000000 0.0502044 0.5413727), wk = 0.0045662 k( 167) = ( 0.5000000 0.0627555 0.5236228), wk = 0.0045662 k( 168) = ( 0.5000000 0.0753066 0.5058729), wk = 0.0045662 k( 169) = ( 0.5000000 0.0878577 0.4881230), wk = 0.0045662 k( 170) = ( 0.5000000 0.1004087 0.4703730), wk = 0.0045662 k( 171) = ( 0.5000000 0.1129598 0.4526231), wk = 0.0045662 k( 172) = ( 0.5000000 0.1255109 0.4348732), wk = 0.0045662 k( 173) = ( 0.5000000 0.1380620 0.4171232), wk = 0.0045662 k( 174) = ( 0.5000000 0.1506131 0.3993733), wk = 0.0045662 k( 175) = ( 0.5000000 0.1631642 0.3816234), wk = 0.0045662 k( 176) = ( 0.5000000 0.1757153 0.3638735), wk = 0.0045662 k( 177) = ( 0.5000000 0.1882664 0.3461235), wk = 0.0045662 k( 178) = ( 0.5000000 0.2008175 0.3283736), wk = 0.0045662 k( 179) = ( 0.5000000 0.2133686 0.3106237), wk = 0.0045662 k( 180) = ( 0.5000000 0.2259197 0.2928738), wk = 0.0045662 k( 181) = ( 0.5000000 0.2384708 0.2751238), wk = 0.0045662 k( 182) = ( 0.5000000 0.2510219 0.2573739), wk = 0.0045662 k( 183) = ( 0.5000000 0.2635729 0.2396240), wk = 0.0045662 k( 184) = ( 0.5000000 0.2761240 0.2218741), wk = 0.0045662 k( 185) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0045662 k( 186) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0045662 k( 187) = ( 0.4937500 0.2850667 0.2245366), wk = 0.0045662 k( 188) = ( 0.4875000 0.2814583 0.2449490), wk = 0.0045662 k( 189) = ( 0.4812500 0.2778498 0.2653614), wk = 0.0045662 k( 190) = ( 0.4750000 0.2742414 0.2857738), wk = 0.0045662 k( 191) = ( 0.4687500 0.2706329 0.3061862), wk = 0.0045662 k( 192) = ( 0.4625000 0.2670245 0.3265986), wk = 0.0045662 k( 193) = ( 0.4562500 0.2634161 0.3470110), wk = 0.0045662 k( 194) = ( 0.4500000 0.2598076 0.3674235), wk = 0.0045662 k( 195) = ( 0.4437500 0.2561992 0.3878359), wk = 0.0045662 k( 196) = ( 0.4375000 0.2525907 0.4082483), wk = 0.0045662 k( 197) = ( 0.4312500 0.2489823 0.4286607), wk = 0.0045662 k( 198) = ( 0.4250000 0.2453739 0.4490731), wk = 0.0045662 k( 199) = ( 0.4187500 0.2417654 0.4694855), wk = 0.0045662 k( 200) = ( 0.4125000 0.2381570 0.4898979), wk = 0.0045662 k( 201) = ( 0.4062500 0.2345485 0.5103104), wk = 0.0045662 k( 202) = ( 0.4000000 0.2309401 0.5307228), wk = 0.0045662 k( 203) = ( 0.3937500 0.2273317 0.5511352), wk = 0.0045662 k( 204) = ( 0.3875000 0.2237232 0.5715476), wk = 0.0045662 k( 205) = ( 0.3812500 0.2201148 0.5919600), wk = 0.0045662 k( 206) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0045662 k( 207) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0045662 k( 208) = ( 0.6145833 -0.0902110 0.4082483), wk = 0.0045662 k( 209) = ( 0.6041667 -0.1082532 0.4082483), wk = 0.0045662 k( 210) = ( 0.5937500 -0.1262954 0.4082483), wk = 0.0045662 k( 211) = ( 0.5833333 -0.1443376 0.4082483), wk = 0.0045662 k( 212) = ( 0.5729167 -0.1623798 0.4082483), wk = 0.0045662 k( 213) = ( 0.5625000 -0.1804220 0.4082483), wk = 0.0045662 k( 214) = ( 0.5520833 -0.1984641 0.4082483), wk = 0.0045662 k( 215) = ( 0.5416667 -0.2165064 0.4082483), wk = 0.0045662 k( 216) = ( 0.5312500 -0.2345485 0.4082483), wk = 0.0045662 k( 217) = ( 0.5208333 -0.2525907 0.4082483), wk = 0.0045662 k( 218) = ( 0.5104167 -0.2706329 0.4082483), wk = 0.0045662 k( 219) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0045662 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045662 k( 2) = ( 0.0156250 -0.0000000 0.0156250), wk = 0.0045662 k( 3) = ( 0.0312500 -0.0000000 0.0312500), wk = 0.0045662 k( 4) = ( 0.0468750 0.0000000 0.0468750), wk = 0.0045662 k( 5) = ( 0.0625000 -0.0000000 0.0625000), wk = 0.0045662 k( 6) = ( 0.0781250 0.0000000 0.0781250), wk = 0.0045662 k( 7) = ( 0.0937500 0.0000000 0.0937500), wk = 0.0045662 k( 8) = ( 0.1093750 -0.0000000 0.1093750), wk = 0.0045662 k( 9) = ( 0.1250000 -0.0000000 0.1250000), wk = 0.0045662 k( 10) = ( 0.1406250 -0.0000000 0.1406250), wk = 0.0045662 k( 11) = ( 0.1562500 0.0000000 0.1562500), wk = 0.0045662 k( 12) = ( 0.1718750 -0.0000000 0.1718750), wk = 0.0045662 k( 13) = ( 0.1875000 0.0000000 0.1875000), wk = 0.0045662 k( 14) = ( 0.2031250 -0.0000000 0.2031250), wk = 0.0045662 k( 15) = ( 0.2187500 -0.0000000 0.2187500), wk = 0.0045662 k( 16) = ( 0.2343750 0.0000000 0.2343750), wk = 0.0045662 k( 17) = ( 0.2500000 -0.0000000 0.2500000), wk = 0.0045662 k( 18) = ( 0.2656250 -0.0000000 0.2656250), wk = 0.0045662 k( 19) = ( 0.2812500 -0.0000000 0.2812500), wk = 0.0045662 k( 20) = ( 0.2968750 -0.0000000 0.2968750), wk = 0.0045662 k( 21) = ( 0.3125000 0.0000000 0.3125000), wk = 0.0045662 k( 22) = ( 0.3281250 -0.0000000 0.3281250), wk = 0.0045662 k( 23) = ( 0.3437500 -0.0000000 0.3437500), wk = 0.0045662 k( 24) = ( 0.3593750 0.0000000 0.3593750), wk = 0.0045662 k( 25) = ( 0.3750000 0.0000000 0.3750000), wk = 0.0045662 k( 26) = ( 0.3906250 -0.0000000 0.3906250), wk = 0.0045662 k( 27) = ( 0.4062500 -0.0000000 0.4062500), wk = 0.0045662 k( 28) = ( 0.4218750 -0.0000000 0.4218750), wk = 0.0045662 k( 29) = ( 0.4375000 -0.0000000 0.4375000), wk = 0.0045662 k( 30) = ( 0.4531250 -0.0000000 0.4531250), wk = 0.0045662 k( 31) = ( 0.4687500 0.0000000 0.4687500), wk = 0.0045662 k( 32) = ( 0.4843750 0.0000000 0.4843750), wk = 0.0045662 k( 33) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0045662 k( 34) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0045662 k( 35) = ( 0.5000000 0.0156250 0.5156250), wk = 0.0045662 k( 36) = ( 0.5000000 0.0312500 0.5312500), wk = 0.0045662 k( 37) = ( 0.5000000 0.0468750 0.5468750), wk = 0.0045662 k( 38) = ( 0.5000000 0.0625000 0.5625000), wk = 0.0045662 k( 39) = ( 0.5000000 0.0781250 0.5781250), wk = 0.0045662 k( 40) = ( 0.5000000 0.0937500 0.5937500), wk = 0.0045662 k( 41) = ( 0.5000000 0.1093750 0.6093750), wk = 0.0045662 k( 42) = ( 0.5000000 0.1250000 0.6250000), wk = 0.0045662 k( 43) = ( 0.5000000 0.1406250 0.6406250), wk = 0.0045662 k( 44) = ( 0.5000000 0.1562500 0.6562500), wk = 0.0045662 k( 45) = ( 0.5000000 0.1718750 0.6718750), wk = 0.0045662 k( 46) = ( 0.5000000 0.1875000 0.6875000), wk = 0.0045662 k( 47) = ( 0.5000000 0.2031250 0.7031250), wk = 0.0045662 k( 48) = ( 0.5000000 0.2187500 0.7187500), wk = 0.0045662 k( 49) = ( 0.5000000 0.2343750 0.7343750), wk = 0.0045662 k( 50) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0045662 k( 51) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0045662 k( 52) = ( 0.4895833 0.2604167 0.7500000), wk = 0.0045662 k( 53) = ( 0.4791667 0.2708333 0.7500000), wk = 0.0045662 k( 54) = ( 0.4687500 0.2812500 0.7500000), wk = 0.0045662 k( 55) = ( 0.4583333 0.2916667 0.7500000), wk = 0.0045662 k( 56) = ( 0.4479167 0.3020833 0.7500000), wk = 0.0045662 k( 57) = ( 0.4375000 0.3125000 0.7500000), wk = 0.0045662 k( 58) = ( 0.4270833 0.3229167 0.7500000), wk = 0.0045662 k( 59) = ( 0.4166667 0.3333333 0.7500000), wk = 0.0045662 k( 60) = ( 0.4062500 0.3437500 0.7500000), wk = 0.0045662 k( 61) = ( 0.3958333 0.3541667 0.7500000), wk = 0.0045662 k( 62) = ( 0.3854167 0.3645833 0.7500000), wk = 0.0045662 k( 63) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0045662 k( 64) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0045662 k( 65) = ( 0.3639706 0.3639706 0.7279412), wk = 0.0045662 k( 66) = ( 0.3529412 0.3529412 0.7058823), wk = 0.0045662 k( 67) = ( 0.3419118 0.3419118 0.6838235), wk = 0.0045662 k( 68) = ( 0.3308823 0.3308823 0.6617647), wk = 0.0045662 k( 69) = ( 0.3198529 0.3198529 0.6397059), wk = 0.0045662 k( 70) = ( 0.3088235 0.3088235 0.6176471), wk = 0.0045662 k( 71) = ( 0.2977941 0.2977941 0.5955882), wk = 0.0045662 k( 72) = ( 0.2867647 0.2867647 0.5735294), wk = 0.0045662 k( 73) = ( 0.2757353 0.2757353 0.5514706), wk = 0.0045662 k( 74) = ( 0.2647059 0.2647059 0.5294118), wk = 0.0045662 k( 75) = ( 0.2536765 0.2536765 0.5073529), wk = 0.0045662 k( 76) = ( 0.2426471 0.2426471 0.4852941), wk = 0.0045662 k( 77) = ( 0.2316177 0.2316177 0.4632353), wk = 0.0045662 k( 78) = ( 0.2205882 0.2205882 0.4411765), wk = 0.0045662 k( 79) = ( 0.2095588 0.2095588 0.4191177), wk = 0.0045662 k( 80) = ( 0.1985294 0.1985294 0.3970588), wk = 0.0045662 k( 81) = ( 0.1875000 0.1875000 0.3750000), wk = 0.0045662 k( 82) = ( 0.1764706 0.1764706 0.3529412), wk = 0.0045662 k( 83) = ( 0.1654412 0.1654412 0.3308823), wk = 0.0045662 k( 84) = ( 0.1544118 0.1544118 0.3088235), wk = 0.0045662 k( 85) = ( 0.1433823 0.1433823 0.2867647), wk = 0.0045662 k( 86) = ( 0.1323529 0.1323529 0.2647059), wk = 0.0045662 k( 87) = ( 0.1213235 0.1213235 0.2426471), wk = 0.0045662 k( 88) = ( 0.1102941 0.1102941 0.2205882), wk = 0.0045662 k( 89) = ( 0.0992647 0.0992647 0.1985294), wk = 0.0045662 k( 90) = ( 0.0882353 0.0882353 0.1764706), wk = 0.0045662 k( 91) = ( 0.0772059 0.0772059 0.1544118), wk = 0.0045662 k( 92) = ( 0.0661765 0.0661765 0.1323529), wk = 0.0045662 k( 93) = ( 0.0551471 0.0551471 0.1102941), wk = 0.0045662 k( 94) = ( 0.0441177 0.0441176 0.0882353), wk = 0.0045662 k( 95) = ( 0.0330882 0.0330882 0.0661765), wk = 0.0045662 k( 96) = ( 0.0220588 0.0220588 0.0441176), wk = 0.0045662 k( 97) = ( 0.0110294 0.0110294 0.0220588), wk = 0.0045662 k( 98) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045662 k( 99) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045662 k( 100) = ( 0.0178571 0.0178571 0.0178571), wk = 0.0045662 k( 101) = ( 0.0357143 0.0357143 0.0357143), wk = 0.0045662 k( 102) = ( 0.0535714 0.0535714 0.0535714), wk = 0.0045662 k( 103) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0045662 k( 104) = ( 0.0892857 0.0892857 0.0892857), wk = 0.0045662 k( 105) = ( 0.1071429 0.1071429 0.1071429), wk = 0.0045662 k( 106) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0045662 k( 107) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0045662 k( 108) = ( 0.1607143 0.1607143 0.1607143), wk = 0.0045662 k( 109) = ( 0.1785714 0.1785714 0.1785714), wk = 0.0045662 k( 110) = ( 0.1964286 0.1964286 0.1964286), wk = 0.0045662 k( 111) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0045662 k( 112) = ( 0.2321429 0.2321429 0.2321429), wk = 0.0045662 k( 113) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0045662 k( 114) = ( 0.2678571 0.2678571 0.2678571), wk = 0.0045662 k( 115) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0045662 k( 116) = ( 0.3035714 0.3035714 0.3035714), wk = 0.0045662 k( 117) = ( 0.3214286 0.3214286 0.3214286), wk = 0.0045662 k( 118) = ( 0.3392857 0.3392857 0.3392857), wk = 0.0045662 k( 119) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0045662 k( 120) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0045662 k( 121) = ( 0.3928571 0.3928571 0.3928571), wk = 0.0045662 k( 122) = ( 0.4107143 0.4107143 0.4107143), wk = 0.0045662 k( 123) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0045662 k( 124) = ( 0.4464286 0.4464286 0.4464286), wk = 0.0045662 k( 125) = ( 0.4642857 0.4642857 0.4642857), wk = 0.0045662 k( 126) = ( 0.4821429 0.4821429 0.4821429), wk = 0.0045662 k( 127) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0045662 k( 128) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0045662 k( 129) = ( 0.5062500 0.4875000 0.5062500), wk = 0.0045662 k( 130) = ( 0.5125000 0.4750000 0.5125000), wk = 0.0045662 k( 131) = ( 0.5187500 0.4625000 0.5187500), wk = 0.0045662 k( 132) = ( 0.5250000 0.4500000 0.5250000), wk = 0.0045662 k( 133) = ( 0.5312500 0.4375000 0.5312500), wk = 0.0045662 k( 134) = ( 0.5375000 0.4250000 0.5375000), wk = 0.0045662 k( 135) = ( 0.5437500 0.4125000 0.5437500), wk = 0.0045662 k( 136) = ( 0.5500000 0.4000000 0.5500000), wk = 0.0045662 k( 137) = ( 0.5562500 0.3875000 0.5562500), wk = 0.0045662 k( 138) = ( 0.5625000 0.3750000 0.5625000), wk = 0.0045662 k( 139) = ( 0.5687500 0.3625000 0.5687500), wk = 0.0045662 k( 140) = ( 0.5750000 0.3500000 0.5750000), wk = 0.0045662 k( 141) = ( 0.5812500 0.3375000 0.5812500), wk = 0.0045662 k( 142) = ( 0.5875000 0.3250000 0.5875000), wk = 0.0045662 k( 143) = ( 0.5937500 0.3125000 0.5937500), wk = 0.0045662 k( 144) = ( 0.6000000 0.3000000 0.6000000), wk = 0.0045662 k( 145) = ( 0.6062500 0.2875000 0.6062500), wk = 0.0045662 k( 146) = ( 0.6125000 0.2750000 0.6125000), wk = 0.0045662 k( 147) = ( 0.6187500 0.2625000 0.6187500), wk = 0.0045662 k( 148) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0045662 k( 149) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0045662 k( 150) = ( 0.6145833 0.2500000 0.6354167), wk = 0.0045662 k( 151) = ( 0.6041667 0.2500000 0.6458333), wk = 0.0045662 k( 152) = ( 0.5937500 0.2500000 0.6562500), wk = 0.0045662 k( 153) = ( 0.5833333 0.2500000 0.6666667), wk = 0.0045662 k( 154) = ( 0.5729167 0.2500000 0.6770833), wk = 0.0045662 k( 155) = ( 0.5625000 0.2500000 0.6875000), wk = 0.0045662 k( 156) = ( 0.5520833 0.2500000 0.6979167), wk = 0.0045662 k( 157) = ( 0.5416667 0.2500000 0.7083333), wk = 0.0045662 k( 158) = ( 0.5312500 0.2500000 0.7187500), wk = 0.0045662 k( 159) = ( 0.5208333 0.2500000 0.7291667), wk = 0.0045662 k( 160) = ( 0.5104167 0.2500000 0.7395833), wk = 0.0045662 k( 161) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0045662 k( 162) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0045662 k( 163) = ( 0.5000000 0.2608696 0.7391304), wk = 0.0045662 k( 164) = ( 0.5000000 0.2717391 0.7282609), wk = 0.0045662 k( 165) = ( 0.5000000 0.2826087 0.7173913), wk = 0.0045662 k( 166) = ( 0.5000000 0.2934783 0.7065217), wk = 0.0045662 k( 167) = ( 0.5000000 0.3043478 0.6956522), wk = 0.0045662 k( 168) = ( 0.5000000 0.3152174 0.6847826), wk = 0.0045662 k( 169) = ( 0.5000000 0.3260870 0.6739130), wk = 0.0045662 k( 170) = ( 0.5000000 0.3369565 0.6630435), wk = 0.0045662 k( 171) = ( 0.5000000 0.3478261 0.6521739), wk = 0.0045662 k( 172) = ( 0.5000000 0.3586956 0.6413043), wk = 0.0045662 k( 173) = ( 0.5000000 0.3695652 0.6304348), wk = 0.0045662 k( 174) = ( 0.5000000 0.3804348 0.6195652), wk = 0.0045662 k( 175) = ( 0.5000000 0.3913043 0.6086957), wk = 0.0045662 k( 176) = ( 0.5000000 0.4021739 0.5978261), wk = 0.0045662 k( 177) = ( 0.5000000 0.4130435 0.5869565), wk = 0.0045662 k( 178) = ( 0.5000000 0.4239130 0.5760870), wk = 0.0045662 k( 179) = ( 0.5000000 0.4347826 0.5652174), wk = 0.0045662 k( 180) = ( 0.5000000 0.4456522 0.5543478), wk = 0.0045662 k( 181) = ( 0.5000000 0.4565217 0.5434783), wk = 0.0045662 k( 182) = ( 0.5000000 0.4673913 0.5326087), wk = 0.0045662 k( 183) = ( 0.5000000 0.4782609 0.5217391), wk = 0.0045662 k( 184) = ( 0.5000000 0.4891304 0.5108696), wk = 0.0045662 k( 185) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0045662 k( 186) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0045662 k( 187) = ( 0.4937500 0.4937500 0.5125000), wk = 0.0045662 k( 188) = ( 0.4875000 0.4875000 0.5250000), wk = 0.0045662 k( 189) = ( 0.4812500 0.4812500 0.5375000), wk = 0.0045662 k( 190) = ( 0.4750000 0.4750000 0.5500000), wk = 0.0045662 k( 191) = ( 0.4687500 0.4687500 0.5625000), wk = 0.0045662 k( 192) = ( 0.4625000 0.4625000 0.5750000), wk = 0.0045662 k( 193) = ( 0.4562500 0.4562500 0.5875000), wk = 0.0045662 k( 194) = ( 0.4500000 0.4500000 0.6000000), wk = 0.0045662 k( 195) = ( 0.4437500 0.4437500 0.6125000), wk = 0.0045662 k( 196) = ( 0.4375000 0.4375000 0.6250000), wk = 0.0045662 k( 197) = ( 0.4312500 0.4312500 0.6375000), wk = 0.0045662 k( 198) = ( 0.4250000 0.4250000 0.6500000), wk = 0.0045662 k( 199) = ( 0.4187500 0.4187500 0.6625000), wk = 0.0045662 k( 200) = ( 0.4125000 0.4125000 0.6750000), wk = 0.0045662 k( 201) = ( 0.4062500 0.4062500 0.6875000), wk = 0.0045662 k( 202) = ( 0.4000000 0.4000000 0.7000000), wk = 0.0045662 k( 203) = ( 0.3937500 0.3937500 0.7125000), wk = 0.0045662 k( 204) = ( 0.3875000 0.3875000 0.7250000), wk = 0.0045662 k( 205) = ( 0.3812500 0.3812500 0.7375000), wk = 0.0045662 k( 206) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0045662 k( 207) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0045662 k( 208) = ( 0.6145833 0.2291667 0.6145833), wk = 0.0045662 k( 209) = ( 0.6041667 0.2083333 0.6041667), wk = 0.0045662 k( 210) = ( 0.5937500 0.1875000 0.5937500), wk = 0.0045662 k( 211) = ( 0.5833333 0.1666667 0.5833333), wk = 0.0045662 k( 212) = ( 0.5729167 0.1458333 0.5729167), wk = 0.0045662 k( 213) = ( 0.5625000 0.1250000 0.5625000), wk = 0.0045662 k( 214) = ( 0.5520833 0.1041667 0.5520833), wk = 0.0045662 k( 215) = ( 0.5416667 0.0833333 0.5416667), wk = 0.0045662 k( 216) = ( 0.5312500 0.0625000 0.5312500), wk = 0.0045662 k( 217) = ( 0.5208333 0.0416667 0.5208333), wk = 0.0045662 k( 218) = ( 0.5104167 0.0208333 0.5104167), wk = 0.0045662 k( 219) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0045662 Dense grid: 361467 G-vectors FFT dimensions: ( 100, 100, 100) Smooth grid: 102923 G-vectors FFT dimensions: ( 72, 72, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.54 Mb ( 378, 94) NL pseudopotentials 0.88 Mb ( 189, 306) Each V/rho on FFT grid 0.31 Mb ( 20000) Each G-vector array 0.04 Mb ( 5022) G-vector shells 0.01 Mb ( 1426) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 2.17 Mb ( 378, 376) Each subspace H/S matrix 0.06 Mb ( 62, 62) Each matrix 0.88 Mb ( 306, 2, 94) The potential is recalculated from file : ./Rb2PdCl6.save/charge-density.dat Starting wfc are 100 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 5.6 secs Computing kpt #: 2 total cpu time spent up to now is 7.7 secs Computing kpt #: 3 total cpu time spent up to now is 9.8 secs Computing kpt #: 4 total cpu time spent up to now is 11.9 secs Computing kpt #: 5 total cpu time spent up to now is 14.1 secs Computing kpt #: 6 total cpu time spent up to now is 16.2 secs Computing kpt #: 7 total cpu time spent up to now is 18.3 secs Computing kpt #: 8 total cpu time spent up to now is 20.4 secs Computing kpt #: 9 total cpu time spent up to now is 22.6 secs Computing kpt #: 10 total cpu time spent up to now is 24.7 secs Computing kpt #: 11 total cpu time spent up to now is 26.8 secs Computing kpt #: 12 total cpu time spent up to now is 29.0 secs Computing kpt #: 13 total cpu time spent up to now is 31.1 secs Computing kpt #: 14 total cpu time spent up to now is 33.2 secs Computing kpt #: 15 total cpu time spent up to now is 35.3 secs Computing kpt #: 16 total cpu time spent up to now is 37.5 secs Computing kpt #: 17 total cpu time spent up to now is 39.6 secs Computing kpt #: 18 total cpu time spent up to now is 41.9 secs Computing kpt #: 19 total cpu time spent up to now is 44.1 secs Computing kpt #: 20 total cpu time spent up to now is 46.3 secs Computing kpt #: 21 total cpu time spent up to now is 48.4 secs Computing kpt #: 22 total cpu time spent up to now is 50.7 secs Computing kpt #: 23 total cpu time spent up to now is 53.0 secs Computing kpt #: 24 total cpu time spent up to now is 55.4 secs Computing kpt #: 25 total cpu time spent up to now is 57.7 secs Computing kpt #: 26 total cpu time spent up to now is 59.9 secs Computing kpt #: 27 total cpu time spent up to now is 62.1 secs Computing kpt #: 28 total cpu time spent up to now is 64.6 secs Computing kpt #: 29 total cpu time spent up to now is 67.1 secs Computing kpt #: 30 total cpu time spent up to now is 69.4 secs Computing kpt #: 31 total cpu time spent up to now is 71.8 secs Computing kpt #: 32 total cpu time spent up to now is 74.2 secs Computing kpt #: 33 total cpu time spent up to now is 76.5 secs Computing kpt #: 34 total cpu time spent up to now is 78.8 secs Computing kpt #: 35 total cpu time spent up to now is 81.1 secs Computing kpt #: 36 total cpu time spent up to now is 83.5 secs Computing kpt #: 37 total cpu time spent up to now is 85.8 secs Computing kpt #: 38 total cpu time spent up to now is 88.2 secs Computing kpt #: 39 total cpu time spent up to now is 90.5 secs Computing kpt #: 40 total cpu time spent up to now is 92.8 secs Computing kpt #: 41 total cpu time spent up to now is 95.2 secs Computing kpt #: 42 total cpu time spent up to now is 97.6 secs Computing kpt #: 43 total cpu time spent up to now is 99.7 secs Computing kpt #: 44 total cpu time spent up to now is 101.9 secs Computing kpt #: 45 total cpu time spent up to now is 104.0 secs Computing kpt #: 46 total cpu time spent up to now is 106.2 secs Computing kpt #: 47 total cpu time spent up to now is 108.5 secs Computing kpt #: 48 total cpu time spent up to now is 110.9 secs Computing kpt #: 49 total cpu time spent up to now is 113.1 secs Computing kpt #: 50 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 118.4 secs Computing kpt #: 51 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 123.7 secs Computing kpt #: 52 total cpu time spent up to now is 126.0 secs Computing kpt #: 53 total cpu time spent up to now is 128.3 secs Computing kpt #: 54 total cpu time spent up to now is 130.7 secs Computing kpt #: 55 total cpu time spent up to now is 132.9 secs Computing kpt #: 56 total cpu time spent up to now is 135.2 secs Computing kpt #: 57 total cpu time spent up to now is 137.5 secs Computing kpt #: 58 total cpu time spent up to now is 139.7 secs Computing kpt #: 59 total cpu time spent up to now is 142.4 secs Computing kpt #: 60 total cpu time spent up to now is 144.7 secs Computing kpt #: 61 total cpu time spent up to now is 146.9 secs Computing kpt #: 62 total cpu time spent up to now is 149.1 secs Computing kpt #: 63 total cpu time spent up to now is 151.3 secs Computing kpt #: 64 total cpu time spent up to now is 153.6 secs Computing kpt #: 65 total cpu time spent up to now is 155.7 secs Computing kpt #: 66 total cpu time spent up to now is 158.0 secs Computing kpt #: 67 total cpu time spent up to now is 160.4 secs Computing kpt #: 68 total cpu time spent up to now is 162.5 secs Computing kpt #: 69 total cpu time spent up to now is 164.6 secs Computing kpt #: 70 total cpu time spent up to now is 166.5 secs Computing kpt #: 71 total cpu time spent up to now is 168.4 secs Computing kpt #: 72 total cpu time spent up to now is 170.3 secs Computing kpt #: 73 total cpu time spent up to now is 172.1 secs Computing kpt #: 74 total cpu time spent up to now is 173.9 secs Computing kpt #: 75 total cpu time spent up to now is 175.7 secs Computing kpt #: 76 total cpu time spent up to now is 177.4 secs Computing kpt #: 77 total cpu time spent up to now is 179.2 secs Computing kpt #: 78 total cpu time spent up to now is 181.0 secs Computing kpt #: 79 total cpu time spent up to now is 182.8 secs Computing kpt #: 80 total cpu time spent up to now is 184.6 secs Computing kpt #: 81 total cpu time spent up to now is 186.4 secs Computing kpt #: 82 total cpu time spent up to now is 188.5 secs Computing kpt #: 83 total cpu time spent up to now is 190.6 secs Computing kpt #: 84 total cpu time spent up to now is 192.6 secs Computing kpt #: 85 total cpu time spent up to now is 194.6 secs Computing kpt #: 86 total cpu time spent up to now is 196.8 secs Computing kpt #: 87 total cpu time spent up to now is 198.9 secs Computing kpt #: 88 total cpu time spent up to now is 201.0 secs Computing kpt #: 89 total cpu time spent up to now is 203.1 secs Computing kpt #: 90 total cpu time spent up to now is 205.2 secs Computing kpt #: 91 total cpu time spent up to now is 207.3 secs Computing kpt #: 92 total cpu time spent up to now is 209.4 secs Computing kpt #: 93 total cpu time spent up to now is 211.5 secs Computing kpt #: 94 total cpu time spent up to now is 213.6 secs Computing kpt #: 95 total cpu time spent up to now is 215.7 secs Computing kpt #: 96 total cpu time spent up to now is 217.8 secs Computing kpt #: 97 total cpu time spent up to now is 219.9 secs Computing kpt #: 98 total cpu time spent up to now is 222.0 secs Computing kpt #: 99 total cpu time spent up to now is 224.1 secs Computing kpt #: 100 total cpu time spent up to now is 226.2 secs Computing kpt #: 101 total cpu time spent up to now is 228.3 secs Computing kpt #: 102 total cpu time spent up to now is 231.6 secs Computing kpt #: 103 total cpu time spent up to now is 233.8 secs Computing kpt #: 104 total cpu time spent up to now is 235.9 secs Computing kpt #: 105 total cpu time spent up to now is 237.9 secs Computing kpt #: 106 total cpu time spent up to now is 240.0 secs Computing kpt #: 107 total cpu time spent up to now is 242.1 secs Computing kpt #: 108 total cpu time spent up to now is 244.1 secs Computing kpt #: 109 total cpu time spent up to now is 246.1 secs Computing kpt #: 110 total cpu time spent up to now is 248.3 secs Computing kpt #: 111 total cpu time spent up to now is 250.3 secs Computing kpt #: 112 total cpu time spent up to now is 252.4 secs Computing kpt #: 113 total cpu time spent up to now is 254.6 secs Computing kpt #: 114 total cpu time spent up to now is 256.7 secs Computing kpt #: 115 total cpu time spent up to now is 258.9 secs Computing kpt #: 116 total cpu time spent up to now is 261.0 secs Computing kpt #: 117 total cpu time spent up to now is 263.2 secs Computing kpt #: 118 total cpu time spent up to now is 265.3 secs Computing kpt #: 119 total cpu time spent up to now is 267.5 secs Computing kpt #: 120 total cpu time spent up to now is 269.6 secs Computing kpt #: 121 total cpu time spent up to now is 271.7 secs Computing kpt #: 122 total cpu time spent up to now is 273.9 secs Computing kpt #: 123 total cpu time spent up to now is 276.0 secs Computing kpt #: 124 total cpu time spent up to now is 278.5 secs Computing kpt #: 125 total cpu time spent up to now is 280.8 secs Computing kpt #: 126 total cpu time spent up to now is 283.0 secs Computing kpt #: 127 total cpu time spent up to now is 285.3 secs Computing kpt #: 128 total cpu time spent up to now is 287.6 secs Computing kpt #: 129 total cpu time spent up to now is 289.8 secs Computing kpt #: 130 total cpu time spent up to now is 292.1 secs Computing kpt #: 131 total cpu time spent up to now is 294.2 secs Computing kpt #: 132 total cpu time spent up to now is 296.5 secs Computing kpt #: 133 total cpu time spent up to now is 298.7 secs Computing kpt #: 134 total cpu time spent up to now is 300.9 secs Computing kpt #: 135 total cpu time spent up to now is 303.0 secs Computing kpt #: 136 total cpu time spent up to now is 305.3 secs Computing kpt #: 137 total cpu time spent up to now is 307.5 secs Computing kpt #: 138 total cpu time spent up to now is 309.6 secs Computing kpt #: 139 total cpu time spent up to now is 311.9 secs Computing kpt #: 140 total cpu time spent up to now is 314.2 secs Computing kpt #: 141 total cpu time spent up to now is 316.4 secs Computing kpt #: 142 total cpu time spent up to now is 318.8 secs Computing kpt #: 143 total cpu time spent up to now is 321.0 secs Computing kpt #: 144 total cpu time spent up to now is 323.3 secs Computing kpt #: 145 total cpu time spent up to now is 325.5 secs Computing kpt #: 146 total cpu time spent up to now is 327.8 secs Computing kpt #: 147 total cpu time spent up to now is 330.0 secs Computing kpt #: 148 total cpu time spent up to now is 332.3 secs Computing kpt #: 149 total cpu time spent up to now is 334.6 secs Computing kpt #: 150 total cpu time spent up to now is 336.8 secs Computing kpt #: 151 total cpu time spent up to now is 338.9 secs Computing kpt #: 152 total cpu time spent up to now is 341.1 secs Computing kpt #: 153 total cpu time spent up to now is 343.3 secs Computing kpt #: 154 total cpu time spent up to now is 345.6 secs Computing kpt #: 155 total cpu time spent up to now is 347.9 secs Computing kpt #: 156 total cpu time spent up to now is 350.1 secs Computing kpt #: 157 total cpu time spent up to now is 352.3 secs Computing kpt #: 158 total cpu time spent up to now is 354.6 secs Computing kpt #: 159 total cpu time spent up to now is 356.9 secs Computing kpt #: 160 total cpu time spent up to now is 359.7 secs Computing kpt #: 161 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 364.9 secs Computing kpt #: 162 total cpu time spent up to now is 367.3 secs Computing kpt #: 163 total cpu time spent up to now is 369.7 secs Computing kpt #: 164 total cpu time spent up to now is 372.0 secs Computing kpt #: 165 total cpu time spent up to now is 374.3 secs Computing kpt #: 166 total cpu time spent up to now is 376.7 secs Computing kpt #: 167 total cpu time spent up to now is 378.9 secs Computing kpt #: 168 total cpu time spent up to now is 381.2 secs Computing kpt #: 169 total cpu time spent up to now is 383.5 secs Computing kpt #: 170 total cpu time spent up to now is 385.8 secs Computing kpt #: 171 total cpu time spent up to now is 387.9 secs Computing kpt #: 172 total cpu time spent up to now is 390.2 secs Computing kpt #: 173 total cpu time spent up to now is 392.4 secs Computing kpt #: 174 total cpu time spent up to now is 394.6 secs Computing kpt #: 175 total cpu time spent up to now is 396.8 secs Computing kpt #: 176 total cpu time spent up to now is 399.0 secs Computing kpt #: 177 total cpu time spent up to now is 401.2 secs Computing kpt #: 178 total cpu time spent up to now is 403.3 secs Computing kpt #: 179 total cpu time spent up to now is 405.5 secs Computing kpt #: 180 total cpu time spent up to now is 407.7 secs Computing kpt #: 181 total cpu time spent up to now is 409.8 secs Computing kpt #: 182 total cpu time spent up to now is 412.0 secs Computing kpt #: 183 total cpu time spent up to now is 414.1 secs Computing kpt #: 184 total cpu time spent up to now is 416.3 secs Computing kpt #: 185 total cpu time spent up to now is 418.7 secs Computing kpt #: 186 total cpu time spent up to now is 421.0 secs Computing kpt #: 187 total cpu time spent up to now is 423.2 secs Computing kpt #: 188 total cpu time spent up to now is 425.4 secs Computing kpt #: 189 total cpu time spent up to now is 427.7 secs Computing kpt #: 190 total cpu time spent up to now is 429.8 secs Computing kpt #: 191 total cpu time spent up to now is 432.1 secs Computing kpt #: 192 total cpu time spent up to now is 434.3 secs Computing kpt #: 193 total cpu time spent up to now is 436.5 secs Computing kpt #: 194 total cpu time spent up to now is 438.6 secs Computing kpt #: 195 total cpu time spent up to now is 441.0 secs Computing kpt #: 196 total cpu time spent up to now is 443.3 secs Computing kpt #: 197 total cpu time spent up to now is 445.5 secs Computing kpt #: 198 total cpu time spent up to now is 447.8 secs Computing kpt #: 199 total cpu time spent up to now is 449.9 secs Computing kpt #: 200 total cpu time spent up to now is 452.1 secs Computing kpt #: 201 total cpu time spent up to now is 454.4 secs Computing kpt #: 202 total cpu time spent up to now is 456.7 secs Computing kpt #: 203 total cpu time spent up to now is 459.0 secs Computing kpt #: 204 total cpu time spent up to now is 461.1 secs Computing kpt #: 205 total cpu time spent up to now is 463.4 secs Computing kpt #: 206 total cpu time spent up to now is 465.5 secs Computing kpt #: 207 total cpu time spent up to now is 467.7 secs Computing kpt #: 208 total cpu time spent up to now is 470.0 secs Computing kpt #: 209 total cpu time spent up to now is 472.2 secs Computing kpt #: 210 total cpu time spent up to now is 474.4 secs Computing kpt #: 211 total cpu time spent up to now is 476.7 secs Computing kpt #: 212 total cpu time spent up to now is 479.0 secs Computing kpt #: 213 total cpu time spent up to now is 481.3 secs Computing kpt #: 214 total cpu time spent up to now is 483.6 secs Computing kpt #: 215 total cpu time spent up to now is 485.9 secs Computing kpt #: 216 total cpu time spent up to now is 488.2 secs Computing kpt #: 217 total cpu time spent up to now is 490.6 secs Computing kpt #: 218 total cpu time spent up to now is 492.9 secs Computing kpt #: 219 total cpu time spent up to now is 495.3 secs ethr = 1.28E-08, avg # of iterations = 26.8 total cpu time spent up to now is 495.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 12939 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4734 -21.4734 -21.4671 -21.4671 -11.1837 -11.1837 -10.5542 -10.5542 -10.5394 -10.5394 -10.5394 -10.5394 -10.4489 -10.4489 -10.4489 -10.4489 -6.2427 -6.2427 -6.1829 -6.1829 -5.3971 -5.3971 -5.3971 -5.3971 -5.3177 -5.3177 -5.3177 -5.3177 -1.4551 -1.4551 -1.3799 -1.3799 -1.3799 -1.3799 -0.7370 -0.7370 -0.7370 -0.7370 -0.6093 -0.6093 0.0850 0.0850 0.1142 0.1142 0.1142 0.1142 1.7771 1.7771 1.7771 1.7771 1.8013 1.8013 1.8013 1.8013 1.8613 1.8613 1.9195 1.9195 2.1120 2.1120 2.2676 2.2676 2.2676 2.2676 2.5192 2.5192 2.5881 2.5881 2.5881 2.5881 4.3485 4.3485 4.3485 4.3485 8.4553 8.4553 9.3308 9.3308 9.6390 9.6390 9.6390 9.6390 9.9527 9.9527 10.3572 10.3572 k = 0.0156-0.0090 0.0128 ( 12923 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4734 -21.4734 -21.4671 -21.4671 -11.1835 -11.1835 -10.5543 -10.5543 -10.5396 -10.5396 -10.5395 -10.5395 -10.4491 -10.4491 -10.4489 -10.4489 -6.2425 -6.2425 -6.1829 -6.1829 -5.3970 -5.3970 -5.3969 -5.3969 -5.3176 -5.3176 -5.3176 -5.3176 -1.4540 -1.4540 -1.3809 -1.3809 -1.3799 -1.3799 -0.7371 -0.7371 -0.7368 -0.7368 -0.6092 -0.6092 0.0857 0.0857 0.1145 0.1145 0.1152 0.1152 1.7678 1.7678 1.7745 1.7745 1.8016 1.8016 1.8101 1.8101 1.8590 1.8590 1.9226 1.9226 2.1114 2.1114 2.2660 2.2660 2.2678 2.2678 2.5182 2.5182 2.5867 2.5867 2.5877 2.5877 4.3467 4.3467 4.3485 4.3485 8.4589 8.4589 9.3336 9.3336 9.6411 9.6411 9.6418 9.6418 9.9552 9.9552 10.3599 10.3599 k = 0.0312-0.0180 0.0255 ( 12867 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4734 -21.4734 -21.4671 -21.4671 -11.1827 -11.1827 -10.5546 -10.5546 -10.5402 -10.5402 -10.5397 -10.5397 -10.4497 -10.4497 -10.4489 -10.4489 -6.2420 -6.2420 -6.1827 -6.1827 -5.3964 -5.3964 -5.3961 -5.3961 -5.3175 -5.3175 -5.3173 -5.3173 -1.4506 -1.4506 -1.3836 -1.3836 -1.3800 -1.3800 -0.7375 -0.7375 -0.7364 -0.7364 -0.6089 -0.6089 0.0876 0.0876 0.1155 0.1155 0.1181 0.1181 1.7516 1.7516 1.7673 1.7673 1.8018 1.8018 1.8248 1.8248 1.8533 1.8533 1.9305 1.9305 2.1095 2.1095 2.2613 2.2613 2.2684 2.2684 2.5153 2.5153 2.5825 2.5825 2.5863 2.5863 4.3412 4.3412 4.3485 4.3485 8.4699 8.4699 9.3419 9.3419 9.6477 9.6477 9.6501 9.6501 9.9627 9.9627 10.3679 10.3679 k = 0.0469-0.0271 0.0383 ( 12855 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4734 -21.4734 -21.4671 -21.4671 -11.1813 -11.1813 -10.5551 -10.5551 -10.5411 -10.5411 -10.5400 -10.5400 -10.4506 -10.4506 -10.4488 -10.4488 -6.2411 -6.2411 -6.1823 -6.1823 -5.3954 -5.3954 -5.3949 -5.3949 -5.3172 -5.3172 -5.3168 -5.3168 -1.4452 -1.4452 -1.3879 -1.3879 -1.3800 -1.3800 -0.7383 -0.7383 -0.7358 -0.7358 -0.6084 -0.6084 0.0907 0.0907 0.1172 0.1172 0.1232 0.1232 1.7339 1.7339 1.7567 1.7567 1.8012 1.8012 1.8398 1.8398 1.8460 1.8460 1.9410 1.9410 2.1059 2.1059 2.2539 2.2539 2.2694 2.2694 2.5103 2.5103 2.5755 2.5755 2.5841 2.5841 4.3320 4.3320 4.3484 4.3484 8.4881 8.4881 9.3557 9.3557 9.6585 9.6585 9.6641 9.6641 9.9751 9.9751 10.3811 10.3811 k = 0.0625-0.0361 0.0510 ( 12867 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4734 -21.4734 -21.4672 -21.4672 -11.1795 -11.1795 -10.5559 -10.5559 -10.5423 -10.5423 -10.5404 -10.5404 -10.4518 -10.4518 -10.4486 -10.4486 -6.2399 -6.2399 -6.1819 -6.1819 -5.3941 -5.3941 -5.3931 -5.3931 -5.3168 -5.3168 -5.3161 -5.3161 -1.4385 -1.4385 -1.3930 -1.3930 -1.3800 -1.3800 -0.7394 -0.7394 -0.7349 -0.7349 -0.6078 -0.6078 0.0946 0.0946 0.1195 0.1195 0.1304 0.1304 1.7157 1.7157 1.7437 1.7437 1.7995 1.7995 1.8381 1.8381 1.8543 1.8543 1.9526 1.9526 2.1003 2.1003 2.2445 2.2445 2.2709 2.2709 2.5029 2.5029 2.5658 2.5658 2.5816 2.5816 4.3192 4.3192 4.3482 4.3482 8.5135 8.5135 9.3750 9.3750 9.6737 9.6737 9.6834 9.6834 9.9924 9.9924 10.3996 10.3996 k = 0.0781-0.0451 0.0638 ( 12875 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4733 -21.4733 -21.4672 -21.4672 -11.1771 -11.1771 -10.5570 -10.5570 -10.5437 -10.5437 -10.5409 -10.5409 -10.4535 -10.4535 -10.4485 -10.4485 -6.2384 -6.2384 -6.1814 -6.1814 -5.3925 -5.3925 -5.3909 -5.3909 -5.3164 -5.3164 -5.3152 -5.3152 -1.4325 -1.4325 -1.3968 -1.3968 -1.3801 -1.3801 -0.7409 -0.7409 -0.7338 -0.7338 -0.6068 -0.6068 0.0992 0.0992 0.1225 0.1225 0.1399 0.1399 1.6973 1.6973 1.7290 1.7290 1.7964 1.7964 1.8300 1.8300 1.8679 1.8679 1.9645 1.9645 2.0918 2.0918 2.2340 2.2340 2.2728 2.2728 2.4929 2.4929 2.5534 2.5534 2.5789 2.5789 4.3029 4.3029 4.3480 4.3480 8.5458 8.5458 9.3997 9.3997 9.6933 9.6933 9.7082 9.7082 10.0145 10.0145 10.4232 10.4232 k = 0.0938-0.0541 0.0765 ( 12891 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4732 -21.4732 -21.4673 -21.4673 -11.1742 -11.1742 -10.5585 -10.5585 -10.5453 -10.5453 -10.5415 -10.5415 -10.4555 -10.4555 -10.4483 -10.4483 -6.2366 -6.2366 -6.1807 -6.1807 -5.3905 -5.3905 -5.3883 -5.3883 -5.3158 -5.3158 -5.3141 -5.3141 -1.4322 -1.4322 -1.3943 -1.3943 -1.3802 -1.3802 -0.7427 -0.7427 -0.7325 -0.7325 -0.6056 -0.6056 0.1043 0.1043 0.1261 0.1261 0.1516 0.1516 1.6787 1.6787 1.7130 1.7130 1.7922 1.7922 1.8215 1.8215 1.8806 1.8806 1.9762 1.9762 2.0796 2.0796 2.2237 2.2237 2.2752 2.2752 2.4803 2.4803 2.5384 2.5384 2.5762 2.5762 4.2833 4.2833 4.3478 4.3478 8.5849 8.5849 9.4296 9.4296 9.7171 9.7171 9.7382 9.7382 10.0414 10.0414 10.4518 10.4518 k = 0.1094-0.0631 0.0893 ( 12907 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4732 -21.4732 -21.4673 -21.4673 -11.1708 -11.1708 -10.5603 -10.5603 -10.5470 -10.5470 -10.5422 -10.5422 -10.4578 -10.4578 -10.4480 -10.4480 -6.2345 -6.2345 -6.1799 -6.1799 -5.3882 -5.3882 -5.3852 -5.3852 -5.3152 -5.3152 -5.3129 -5.3129 -1.4393 -1.4393 -1.3835 -1.3835 -1.3803 -1.3803 -0.7451 -0.7451 -0.7308 -0.7308 -0.6041 -0.6041 0.1100 0.1100 0.1303 0.1303 0.1653 0.1653 1.6603 1.6603 1.6964 1.6964 1.7868 1.7868 1.8128 1.8128 1.8921 1.8921 1.9873 1.9873 2.0628 2.0628 2.2147 2.2147 2.2781 2.2781 2.4650 2.4650 2.5209 2.5209 2.5737 2.5737 4.2604 4.2604 4.3475 4.3475 8.6304 8.6304 9.4647 9.4647 9.7452 9.7452 9.7732 9.7732 10.0729 10.0729 10.4853 10.4853 k = 0.1250-0.0722 0.1021 ( 12903 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4731 -21.4731 -21.4674 -21.4674 -11.1670 -11.1670 -10.5624 -10.5624 -10.5487 -10.5487 -10.5430 -10.5430 -10.4606 -10.4606 -10.4478 -10.4478 -6.2321 -6.2321 -6.1790 -6.1790 -5.3856 -5.3856 -5.3817 -5.3817 -5.3144 -5.3144 -5.3115 -5.3115 -1.4508 -1.4508 -1.3804 -1.3804 -1.3674 -1.3674 -0.7478 -0.7478 -0.7289 -0.7289 -0.6022 -0.6022 0.1162 0.1162 0.1350 0.1350 0.1807 0.1807 1.6421 1.6421 1.6795 1.6795 1.7805 1.7805 1.8039 1.8039 1.9021 1.9021 1.9977 1.9977 2.0413 2.0413 2.2077 2.2077 2.2816 2.2816 2.4471 2.4471 2.5011 2.5011 2.5715 2.5715 4.2345 4.2345 4.3472 4.3472 8.6822 8.6822 9.5048 9.5048 9.7776 9.7776 9.8131 9.8131 10.1090 10.1090 10.5235 10.5235 k = 0.1406-0.0812 0.1148 ( 12883 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4730 -21.4730 -21.4674 -21.4674 -11.1628 -11.1628 -10.5651 -10.5651 -10.5503 -10.5503 -10.5439 -10.5439 -10.4637 -10.4637 -10.4475 -10.4475 -6.2294 -6.2294 -6.1781 -6.1781 -5.3827 -5.3827 -5.3778 -5.3778 -5.3136 -5.3136 -5.3099 -5.3099 -1.4645 -1.4645 -1.3805 -1.3805 -1.3480 -1.3480 -0.7509 -0.7509 -0.7267 -0.7267 -0.5999 -0.5999 0.1229 0.1229 0.1402 0.1402 0.1978 0.1978 1.6242 1.6242 1.6625 1.6625 1.7732 1.7732 1.7946 1.7946 1.9103 1.9103 2.0071 2.0071 2.0155 2.0155 2.2029 2.2029 2.2855 2.2855 2.4268 2.4268 2.4791 2.4791 2.5694 2.5694 4.2056 4.2056 4.3469 4.3469 8.7399 8.7399 9.5496 9.5496 9.8142 9.8142 9.8577 9.8577 10.1495 10.1495 10.5662 10.5662 k = 0.1562-0.0902 0.1276 ( 12883 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4729 -21.4729 -21.4675 -21.4675 -11.1581 -11.1581 -10.5680 -10.5680 -10.5519 -10.5519 -10.5449 -10.5449 -10.4671 -10.4671 -10.4472 -10.4472 -6.2265 -6.2265 -6.1770 -6.1770 -5.3796 -5.3796 -5.3736 -5.3736 -5.3128 -5.3128 -5.3082 -5.3082 -1.4797 -1.4797 -1.3807 -1.3807 -1.3261 -1.3261 -0.7546 -0.7546 -0.7242 -0.7242 -0.5973 -0.5973 0.1301 0.1301 0.1458 0.1458 0.2162 0.2162 1.6069 1.6069 1.6456 1.6456 1.7651 1.7651 1.7851 1.7851 1.9150 1.9150 1.9874 1.9874 2.0156 2.0156 2.2001 2.2001 2.2900 2.2900 2.4043 2.4043 2.4551 2.4551 2.5676 2.5676 4.1741 4.1741 4.3466 4.3466 8.8031 8.8031 9.5988 9.5988 9.8551 9.8551 9.9068 9.9068 10.1942 10.1942 10.6132 10.6132 k = 0.1719-0.0992 0.1403 ( 12879 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4728 -21.4728 -21.4676 -21.4676 -11.1530 -11.1530 -10.5714 -10.5714 -10.5534 -10.5534 -10.5459 -10.5459 -10.4710 -10.4710 -10.4469 -10.4469 -6.2235 -6.2235 -6.1759 -6.1759 -5.3763 -5.3763 -5.3692 -5.3692 -5.3118 -5.3118 -5.3065 -5.3065 -1.4959 -1.4959 -1.3808 -1.3808 -1.3020 -1.3020 -0.7586 -0.7586 -0.7214 -0.7214 -0.5943 -0.5943 0.1376 0.1376 0.1519 0.1519 0.2357 0.2357 1.5901 1.5901 1.6293 1.6293 1.7562 1.7562 1.7754 1.7754 1.9110 1.9110 1.9632 1.9632 2.0230 2.0230 2.1990 2.1990 2.2948 2.2948 2.3799 2.3799 2.4292 2.4292 2.5659 2.5659 4.1402 4.1402 4.3462 4.3462 8.8715 8.8715 9.6522 9.6522 9.9001 9.9001 9.9599 9.9599 10.2431 10.2431 10.6640 10.6640 k = 0.1875-0.1083 0.1531 ( 12895 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4727 -21.4727 -21.4677 -21.4677 -11.1476 -11.1476 -10.5750 -10.5750 -10.5549 -10.5549 -10.5470 -10.5470 -10.4751 -10.4751 -10.4465 -10.4465 -6.2202 -6.2202 -6.1748 -6.1748 -5.3728 -5.3728 -5.3644 -5.3644 -5.3108 -5.3108 -5.3046 -5.3046 -1.5128 -1.5128 -1.3810 -1.3810 -1.2761 -1.2761 -0.7631 -0.7631 -0.7185 -0.7185 -0.5909 -0.5909 0.1456 0.1456 0.1583 0.1583 0.2562 0.2562 1.5740 1.5740 1.6135 1.6135 1.7466 1.7466 1.7656 1.7656 1.8884 1.8884 1.9533 1.9533 2.0293 2.0293 2.1990 2.1990 2.3001 2.3001 2.3539 2.3539 2.4017 2.4017 2.5643 2.5643 4.1041 4.1041 4.3458 4.3458 8.9447 8.9447 9.7093 9.7093 9.9493 9.9493 10.0169 10.0169 10.2958 10.2958 10.7184 10.7184 k = 0.2031-0.1173 0.1659 ( 12903 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4726 -21.4726 -21.4678 -21.4678 -11.1419 -11.1419 -10.5787 -10.5787 -10.5563 -10.5563 -10.5481 -10.5481 -10.4795 -10.4795 -10.4461 -10.4461 -6.2169 -6.2169 -6.1736 -6.1736 -5.3691 -5.3691 -5.3595 -5.3595 -5.3098 -5.3098 -5.3026 -5.3026 -1.5301 -1.5301 -1.3812 -1.3812 -1.2484 -1.2484 -0.7680 -0.7680 -0.7153 -0.7153 -0.5872 -0.5872 0.1538 0.1538 0.1650 0.1650 0.2773 0.2773 1.5589 1.5589 1.5986 1.5986 1.7365 1.7365 1.7557 1.7557 1.8525 1.8525 1.9532 1.9532 2.0346 2.0346 2.1997 2.1997 2.3055 2.3055 2.3266 2.3266 2.3729 2.3729 2.5628 2.5628 4.0663 4.0663 4.3454 4.3454 9.0222 9.0222 9.7696 9.7696 10.0027 10.0027 10.0773 10.0773 10.3522 10.3522 10.7756 10.7756 k = 0.2188-0.1263 0.1786 ( 12879 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4725 -21.4725 -21.4678 -21.4678 -11.1359 -11.1359 -10.5827 -10.5827 -10.5576 -10.5576 -10.5493 -10.5493 -10.4842 -10.4842 -10.4458 -10.4458 -6.2134 -6.2134 -6.1723 -6.1723 -5.3653 -5.3653 -5.3543 -5.3543 -5.3088 -5.3088 -5.3006 -5.3006 -1.5476 -1.5476 -1.3813 -1.3813 -1.2192 -1.2192 -0.7731 -0.7731 -0.7119 -0.7119 -0.5831 -0.5831 0.1623 0.1623 0.1719 0.1719 0.2988 0.2988 1.5446 1.5446 1.5847 1.5847 1.7260 1.7260 1.7458 1.7458 1.8113 1.8113 1.9555 1.9555 2.0388 2.0388 2.2002 2.2002 2.2989 2.2989 2.3100 2.3100 2.3438 2.3438 2.5614 2.5614 4.0271 4.0271 4.3450 4.3450 9.1035 9.1035 9.8326 9.8326 10.0600 10.0600 10.1409 10.1409 10.4120 10.4120 10.8353 10.8353 k = 0.2344-0.1353 0.1914 ( 12899 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4724 -21.4724 -21.4679 -21.4679 -11.1297 -11.1297 -10.5867 -10.5867 -10.5590 -10.5590 -10.5505 -10.5505 -10.4892 -10.4892 -10.4454 -10.4454 -6.2098 -6.2098 -6.1711 -6.1711 -5.3615 -5.3615 -5.3491 -5.3491 -5.3077 -5.3077 -5.2986 -5.2986 -1.5651 -1.5651 -1.3815 -1.3815 -1.1888 -1.1888 -0.7786 -0.7786 -0.7083 -0.7083 -0.5788 -0.5788 0.1710 0.1710 0.1790 0.1790 0.3206 0.3206 1.5315 1.5315 1.5719 1.5719 1.7153 1.7153 1.7359 1.7359 1.7677 1.7677 1.9580 1.9580 2.0422 2.0422 2.1992 2.1992 2.2721 2.2721 2.3034 2.3034 2.3252 2.3252 2.5600 2.5600 3.9866 3.9866 4.3445 4.3445 9.1883 9.1883 9.8978 9.8978 10.1212 10.1212 10.2071 10.2071 10.4751 10.4751 10.8970 10.8970 k = 0.2500-0.1443 0.2041 ( 12935 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4723 -21.4723 -21.4680 -21.4680 -11.1232 -11.1232 -10.5907 -10.5907 -10.5603 -10.5603 -10.5517 -10.5517 -10.4944 -10.4944 -10.4450 -10.4450 -6.2063 -6.2063 -6.1698 -6.1698 -5.3576 -5.3576 -5.3438 -5.3438 -5.3066 -5.3066 -5.2965 -5.2965 -1.5826 -1.5826 -1.3818 -1.3818 -1.1573 -1.1573 -0.7843 -0.7843 -0.7047 -0.7047 -0.5742 -0.5742 0.1798 0.1798 0.1861 0.1861 0.3425 0.3425 1.5195 1.5195 1.5604 1.5604 1.7044 1.7044 1.7228 1.7228 1.7262 1.7262 1.9601 1.9601 2.0446 2.0446 2.1930 2.1930 2.2500 2.2500 2.2748 2.2748 2.3277 2.3277 2.5587 2.5587 3.9455 3.9455 4.3441 4.3441 9.2759 9.2759 9.9646 9.9646 10.1861 10.1861 10.2755 10.2755 10.5410 10.5410 10.9603 10.9603 k = 0.2656-0.1534 0.2169 ( 12895 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4721 -21.4721 -21.4681 -21.4681 -11.1167 -11.1167 -10.5947 -10.5947 -10.5616 -10.5616 -10.5529 -10.5529 -10.4998 -10.4998 -10.4446 -10.4446 -6.2027 -6.2027 -6.1685 -6.1685 -5.3537 -5.3537 -5.3385 -5.3385 -5.3055 -5.3055 -5.2945 -5.2945 -1.5996 -1.5996 -1.3819 -1.3819 -1.1250 -1.1250 -0.7901 -0.7901 -0.7008 -0.7008 -0.5695 -0.5695 0.1886 0.1886 0.1933 0.1933 0.3642 0.3642 1.5087 1.5087 1.5504 1.5504 1.6774 1.6774 1.6935 1.6935 1.7166 1.7166 1.9617 1.9617 2.0461 2.0461 2.1763 2.1763 2.2380 2.2380 2.2424 2.2424 2.3335 2.3335 2.5575 2.5575 3.9040 3.9040 4.3437 4.3437 9.3658 9.3658 10.0324 10.0324 10.2543 10.2543 10.3456 10.3456 10.6096 10.6096 11.0249 11.0249 k = 0.2812-0.1624 0.2296 ( 12895 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4720 -21.4720 -21.4682 -21.4682 -11.1101 -11.1101 -10.5986 -10.5986 -10.5629 -10.5629 -10.5541 -10.5541 -10.5053 -10.5053 -10.4442 -10.4442 -6.1991 -6.1991 -6.1673 -6.1673 -5.3499 -5.3499 -5.3332 -5.3332 -5.3044 -5.3044 -5.2924 -5.2924 -1.6162 -1.6162 -1.3821 -1.3821 -1.0921 -1.0921 -0.7960 -0.7960 -0.6970 -0.6970 -0.5647 -0.5647 0.1973 0.1973 0.2003 0.2003 0.3856 0.3856 1.4991 1.4991 1.5420 1.5420 1.6322 1.6322 1.6827 1.6827 1.7073 1.7073 1.9626 1.9626 2.0468 2.0468 2.1504 2.1504 2.2093 2.2093 2.2350 2.2350 2.3398 2.3398 2.5563 2.5563 3.8626 3.8626 4.3433 4.3433 9.4575 9.4575 10.1007 10.1007 10.3252 10.3252 10.4168 10.4168 10.6805 10.6805 11.0905 11.0905 k = 0.2969-0.1714 0.2424 ( 12871 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4719 -21.4719 -21.4683 -21.4683 -11.1035 -11.1035 -10.6024 -10.6024 -10.5642 -10.5642 -10.5552 -10.5552 -10.5108 -10.5108 -10.4439 -10.4439 -6.1956 -6.1956 -6.1660 -6.1660 -5.3461 -5.3461 -5.3280 -5.3280 -5.3033 -5.3033 -5.2904 -5.2904 -1.6322 -1.6322 -1.3823 -1.3823 -1.0590 -1.0590 -0.8019 -0.8019 -0.6931 -0.6931 -0.5598 -0.5598 0.2059 0.2059 0.2072 0.2072 0.4065 0.4065 1.4903 1.4903 1.5351 1.5351 1.5882 1.5882 1.6721 1.6721 1.6982 1.6982 1.9629 1.9629 2.0464 2.0464 2.1204 2.1204 2.1763 2.1763 2.2359 2.2359 2.3460 2.3460 2.5552 2.5552 3.8216 3.8216 4.3428 4.3428 9.5502 9.5502 10.1690 10.1690 10.3981 10.3981 10.4885 10.4885 10.7532 10.7532 11.1568 11.1568 k = 0.3125-0.1804 0.2552 ( 12871 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4718 -21.4718 -21.4684 -21.4684 -11.0970 -11.0970 -10.6061 -10.6061 -10.5654 -10.5654 -10.5563 -10.5563 -10.5164 -10.5164 -10.4435 -10.4435 -6.1923 -6.1923 -6.1648 -6.1648 -5.3424 -5.3424 -5.3229 -5.3229 -5.3023 -5.3023 -5.2885 -5.2885 -1.6475 -1.6475 -1.3824 -1.3824 -1.0259 -1.0259 -0.8077 -0.8077 -0.6892 -0.6892 -0.5549 -0.5549 0.2139 0.2139 0.2142 0.2142 0.4266 0.4266 1.4809 1.4809 1.5301 1.5301 1.5472 1.5472 1.6619 1.6619 1.6895 1.6895 1.9623 1.9623 2.0445 2.0445 2.0893 2.0893 2.1441 2.1441 2.2384 2.2384 2.3521 2.3521 2.5541 2.5541 3.7816 3.7816 4.3425 4.3425 9.6432 9.6432 10.2368 10.2368 10.4720 10.4720 10.5601 10.5601 10.8274 10.8274 11.2233 11.2233 k = 0.3281-0.1894 0.2679 ( 12859 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4717 -21.4717 -21.4684 -21.4684 -11.0905 -11.0905 -10.6095 -10.6095 -10.5666 -10.5666 -10.5574 -10.5574 -10.5219 -10.5219 -10.4431 -10.4431 -6.1890 -6.1890 -6.1637 -6.1637 -5.3389 -5.3389 -5.3181 -5.3181 -5.3013 -5.3013 -5.2867 -5.2867 -1.6619 -1.6619 -1.3826 -1.3826 -0.9933 -0.9933 -0.8134 -0.8134 -0.6854 -0.6854 -0.5501 -0.5501 0.2202 0.2202 0.2222 0.2222 0.4458 0.4458 1.4663 1.4663 1.5146 1.5146 1.5268 1.5268 1.6521 1.6521 1.6812 1.6812 1.9605 1.9605 2.0402 2.0402 2.0586 2.0586 2.1143 2.1143 2.2415 2.2415 2.3580 2.3580 2.5531 2.5531 3.7428 3.7428 4.3421 4.3421 9.7357 9.7357 10.3038 10.3038 10.5460 10.5460 10.6308 10.6308 10.9026 10.9026 11.2896 11.2896 k = 0.3438-0.1985 0.2807 ( 12867 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4716 -21.4716 -21.4685 -21.4685 -11.0843 -11.0843 -10.6128 -10.6128 -10.5677 -10.5677 -10.5584 -10.5584 -10.5273 -10.5273 -10.4428 -10.4428 -6.1859 -6.1859 -6.1626 -6.1626 -5.3356 -5.3356 -5.3135 -5.3135 -5.3003 -5.3003 -5.2849 -5.2849 -1.6754 -1.6754 -1.3828 -1.3828 -0.9614 -0.9614 -0.8189 -0.8189 -0.6817 -0.6817 -0.5455 -0.5455 0.2262 0.2262 0.2297 0.2297 0.4639 0.4639 1.4392 1.4392 1.4980 1.4980 1.5254 1.5254 1.6429 1.6429 1.6734 1.6734 1.9566 1.9566 2.0298 2.0298 2.0305 2.0305 2.0900 2.0900 2.2447 2.2447 2.3635 2.3635 2.5522 2.5522 3.7056 3.7056 4.3417 4.3417 9.8267 9.8267 10.3694 10.3694 10.6188 10.6188 10.6998 10.6998 10.9782 10.9782 11.3551 11.3551 k = 0.3594-0.2075 0.2934 ( 12875 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4715 -21.4715 -21.4686 -21.4686 -11.0784 -11.0784 -10.6158 -10.6158 -10.5688 -10.5688 -10.5594 -10.5594 -10.5324 -10.5324 -10.4425 -10.4425 -6.1830 -6.1830 -6.1616 -6.1616 -5.3324 -5.3324 -5.3092 -5.3092 -5.2994 -5.2994 -5.2833 -5.2833 -1.6878 -1.6878 -1.3830 -1.3830 -0.9307 -0.9307 -0.8240 -0.8240 -0.6781 -0.6781 -0.5411 -0.5411 0.2318 0.2318 0.2367 0.2367 0.4808 0.4808 1.4049 1.4049 1.4926 1.4926 1.5258 1.5258 1.6343 1.6343 1.6660 1.6660 1.9482 1.9482 2.0058 2.0058 2.0125 2.0125 2.0746 2.0746 2.2478 2.2478 2.3687 2.3687 2.5513 2.5513 3.6706 3.6706 4.3414 4.3414 9.9153 9.9153 10.4331 10.4331 10.6890 10.6890 10.7663 10.7663 11.0536 11.0536 11.4194 11.4194 k = 0.3750-0.2165 0.3062 ( 12879 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4714 -21.4714 -21.4687 -21.4687 -11.0728 -11.0728 -10.6185 -10.6185 -10.5699 -10.5699 -10.5603 -10.5603 -10.5373 -10.5373 -10.4422 -10.4422 -6.1804 -6.1804 -6.1607 -6.1607 -5.3295 -5.3295 -5.3052 -5.3052 -5.2985 -5.2985 -5.2818 -5.2818 -1.6992 -1.6992 -1.3831 -1.3831 -0.9017 -0.9017 -0.8289 -0.8289 -0.6746 -0.6746 -0.5369 -0.5369 0.2369 0.2369 0.2432 0.2432 0.4961 0.4961 1.3701 1.3701 1.4919 1.4919 1.5279 1.5279 1.6264 1.6264 1.6592 1.6592 1.9324 1.9324 1.9877 1.9877 1.9902 1.9902 2.0668 2.0668 2.2509 2.2509 2.3734 2.3734 2.5505 2.5505 3.6380 3.6380 4.3411 4.3411 10.0003 10.0003 10.4944 10.4944 10.7554 10.7554 10.8295 10.8295 11.1281 11.1281 11.4816 11.4816 k = 0.3906-0.2255 0.3189 ( 12863 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4713 -21.4713 -21.4687 -21.4687 -11.0676 -11.0676 -10.6209 -10.6209 -10.5709 -10.5709 -10.5610 -10.5610 -10.5418 -10.5418 -10.4419 -10.4419 -6.1779 -6.1779 -6.1598 -6.1598 -5.3269 -5.3269 -5.3017 -5.3017 -5.2976 -5.2976 -5.2804 -5.2804 -1.7094 -1.7094 -1.3833 -1.3833 -0.8747 -0.8747 -0.8333 -0.8333 -0.6713 -0.6713 -0.5331 -0.5331 0.2415 0.2415 0.2490 0.2490 0.5099 0.5099 1.3375 1.3375 1.4938 1.4938 1.5317 1.5317 1.6194 1.6194 1.6530 1.6530 1.9102 1.9102 1.9606 1.9606 1.9822 1.9822 2.0628 2.0628 2.2537 2.2537 2.3777 2.3777 2.5498 2.5498 3.6083 3.6083 4.3408 4.3408 10.0802 10.0802 10.5524 10.5524 10.8167 10.8167 10.8883 10.8883 11.2008 11.2008 11.5410 11.5410 k = 0.4062-0.2345 0.3317 ( 12843 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4712 -21.4712 -21.4688 -21.4688 -11.0629 -11.0629 -10.6230 -10.6230 -10.5718 -10.5718 -10.5618 -10.5618 -10.5458 -10.5458 -10.4417 -10.4417 -6.1758 -6.1758 -6.1591 -6.1591 -5.3246 -5.3246 -5.2990 -5.2990 -5.2963 -5.2963 -5.2792 -5.2792 -1.7183 -1.7183 -1.3834 -1.3834 -0.8502 -0.8502 -0.8372 -0.8372 -0.6683 -0.6683 -0.5296 -0.5296 0.2455 0.2455 0.2542 0.2542 0.5220 0.5220 1.3079 1.3079 1.4974 1.4974 1.5368 1.5368 1.6132 1.6132 1.6473 1.6473 1.8858 1.8858 1.9338 1.9338 1.9781 1.9781 2.0605 2.0605 2.2561 2.2561 2.3815 2.3815 2.5492 2.5492 3.5818 3.5818 4.3405 4.3405 10.1538 10.1538 10.6062 10.6062 10.8717 10.8717 10.9418 10.9418 11.2709 11.2709 11.5967 11.5967 k = 0.4219-0.2436 0.3445 ( 12859 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4712 -21.4712 -21.4688 -21.4688 -11.0588 -11.0588 -10.6248 -10.6248 -10.5727 -10.5727 -10.5624 -10.5624 -10.5493 -10.5493 -10.4415 -10.4415 -6.1739 -6.1739 -6.1584 -6.1584 -5.3226 -5.3226 -5.2975 -5.2975 -5.2945 -5.2945 -5.2782 -5.2782 -1.7259 -1.7259 -1.3835 -1.3835 -0.8407 -0.8407 -0.8286 -0.8286 -0.6655 -0.6655 -0.5267 -0.5267 0.2489 0.2489 0.2586 0.2586 0.5323 0.5323 1.2820 1.2820 1.5022 1.5022 1.5429 1.5429 1.6079 1.6079 1.6422 1.6422 1.8620 1.8620 1.9086 1.9086 1.9759 1.9759 2.0589 2.0589 2.2583 2.2583 2.3847 2.3847 2.5487 2.5487 3.5587 3.5587 4.3403 4.3403 10.2195 10.2195 10.6550 10.6550 10.9194 10.9194 10.9891 10.9891 11.3372 11.3372 11.6352 11.6352 k = 0.4375-0.2526 0.3572 ( 12867 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4711 -21.4711 -21.4689 -21.4689 -11.0554 -11.0554 -10.6263 -10.6263 -10.5735 -10.5735 -10.5629 -10.5629 -10.5522 -10.5522 -10.4414 -10.4414 -6.1724 -6.1724 -6.1579 -6.1579 -5.3209 -5.3209 -5.2968 -5.2968 -5.2924 -5.2924 -5.2773 -5.2773 -1.7323 -1.7323 -1.3836 -1.3836 -0.8435 -0.8435 -0.8104 -0.8104 -0.6631 -0.6631 -0.5241 -0.5241 0.2518 0.2518 0.2623 0.2623 0.5407 0.5407 1.2602 1.2602 1.5077 1.5077 1.5496 1.5496 1.6037 1.6037 1.6378 1.6378 1.8404 1.8404 1.8861 1.8861 1.9744 1.9744 2.0577 2.0577 2.2601 2.2601 2.3873 2.3873 2.5482 2.5482 3.5395 3.5395 4.3401 4.3401 10.2759 10.2759 10.6974 10.6974 10.9592 10.9592 11.0293 11.0293 11.3984 11.3984 11.6474 11.6474 k = 0.4531-0.2616 0.3700 ( 12871 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4711 -21.4711 -21.4689 -21.4689 -11.0526 -11.0526 -10.6275 -10.6275 -10.5743 -10.5743 -10.5633 -10.5633 -10.5545 -10.5545 -10.4412 -10.4412 -6.1712 -6.1712 -6.1575 -6.1575 -5.3196 -5.3196 -5.2963 -5.2963 -5.2907 -5.2907 -5.2766 -5.2766 -1.7372 -1.7372 -1.3837 -1.3837 -0.8458 -0.8458 -0.7959 -0.7959 -0.6610 -0.6610 -0.5221 -0.5221 0.2540 0.2540 0.2651 0.2651 0.5472 0.5472 1.2430 1.2430 1.5132 1.5132 1.5562 1.5562 1.6006 1.6006 1.6339 1.6339 1.8220 1.8220 1.8671 1.8671 1.9735 1.9735 2.0569 2.0569 2.2615 2.2615 2.3894 2.3894 2.5479 2.5479 3.5242 3.5242 4.3399 4.3399 10.3214 10.3214 10.7323 10.7323 10.9904 10.9904 11.0616 11.0616 11.4529 11.4529 11.6535 11.6535 k = 0.4688-0.2706 0.3827 ( 12896 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4711 -21.4711 -21.4689 -21.4689 -11.0506 -11.0506 -10.6283 -10.6283 -10.5748 -10.5748 -10.5636 -10.5636 -10.5561 -10.5561 -10.4411 -10.4411 -6.1703 -6.1703 -6.1572 -6.1572 -5.3186 -5.3186 -5.2960 -5.2960 -5.2894 -5.2894 -5.2761 -5.2761 -1.7408 -1.7408 -1.3838 -1.3838 -0.8475 -0.8475 -0.7854 -0.7854 -0.6595 -0.6595 -0.5207 -0.5207 0.2556 0.2556 0.2672 0.2672 0.5518 0.5518 1.2304 1.2304 1.5180 1.5180 1.5618 1.5618 1.5987 1.5987 1.6308 1.6308 1.8080 1.8080 1.8526 1.8526 1.9729 1.9729 2.0564 2.0564 2.2624 2.2624 2.3909 2.3909 2.5476 2.5476 3.5132 3.5132 4.3398 4.3398 10.3549 10.3549 10.7584 10.7584 11.0128 11.0128 11.0851 11.0851 11.4983 11.4983 11.6534 11.6534 k = 0.4844-0.2797 0.3955 ( 12872 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4711 -21.4711 -21.4689 -21.4689 -11.0494 -11.0494 -10.6288 -10.6288 -10.5752 -10.5752 -10.5637 -10.5637 -10.5571 -10.5571 -10.4411 -10.4411 -6.1698 -6.1698 -6.1570 -6.1570 -5.3180 -5.3180 -5.2958 -5.2958 -5.2886 -5.2886 -5.2758 -5.2758 -1.7429 -1.7429 -1.3838 -1.3838 -0.8485 -0.8485 -0.7790 -0.7790 -0.6585 -0.6585 -0.5198 -0.5198 0.2565 0.2565 0.2684 0.2684 0.5546 0.5546 1.2229 1.2229 1.5212 1.5212 1.5655 1.5655 1.5977 1.5977 1.6287 1.6287 1.7991 1.7991 1.8434 1.8434 1.9725 1.9725 2.0561 2.0561 2.2630 2.2630 2.3918 2.3918 2.5475 2.5475 3.5066 3.5066 4.3398 4.3398 10.3754 10.3754 10.7745 10.7745 11.0263 11.0263 11.0995 11.0995 11.5308 11.5308 11.6491 11.6491 k = 0.5000-0.2887 0.4082 ( 12848 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4710 -21.4710 -21.4689 -21.4689 -11.0490 -11.0490 -10.6289 -10.6289 -10.5753 -10.5753 -10.5638 -10.5638 -10.5574 -10.5574 -10.4411 -10.4411 -6.1696 -6.1696 -6.1569 -6.1569 -5.3179 -5.3179 -5.2957 -5.2957 -5.2883 -5.2883 -5.2757 -5.2757 -1.7436 -1.7436 -1.3838 -1.3838 -0.8488 -0.8488 -0.7769 -0.7769 -0.6581 -0.6581 -0.5195 -0.5195 0.2568 0.2568 0.2688 0.2688 0.5556 0.5556 1.2203 1.2203 1.5224 1.5224 1.5668 1.5668 1.5975 1.5975 1.6279 1.6279 1.7960 1.7960 1.8403 1.8403 1.9724 1.9724 2.0560 2.0560 2.2633 2.2633 2.3921 2.3921 2.5474 2.5474 3.5044 3.5044 4.3398 4.3398 10.3823 10.3823 10.7800 10.7800 11.0308 11.0308 11.1043 11.1043 11.5432 11.5432 11.6462 11.6462 k = 0.5000-0.2887 0.4082 ( 12848 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4710 -21.4710 -21.4689 -21.4689 -11.0490 -11.0490 -10.6289 -10.6289 -10.5753 -10.5753 -10.5638 -10.5638 -10.5574 -10.5574 -10.4411 -10.4411 -6.1696 -6.1696 -6.1569 -6.1569 -5.3179 -5.3179 -5.2957 -5.2957 -5.2883 -5.2883 -5.2757 -5.2757 -1.7436 -1.7436 -1.3838 -1.3838 -0.8488 -0.8488 -0.7769 -0.7769 -0.6581 -0.6581 -0.5195 -0.5195 0.2568 0.2568 0.2688 0.2688 0.5556 0.5556 1.2203 1.2203 1.5224 1.5224 1.5668 1.5668 1.5975 1.5975 1.6279 1.6279 1.7960 1.7960 1.8403 1.8403 1.9724 1.9724 2.0560 2.0560 2.2633 2.2633 2.3921 2.3921 2.5474 2.5474 3.5044 3.5044 4.3398 4.3398 10.3823 10.3823 10.7800 10.7800 11.0308 11.0308 11.1043 11.1043 11.5432 11.5432 11.6462 11.6462 k = 0.5000-0.2706 0.4210 ( 12870 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4710 -21.4710 -21.4689 -21.4689 -11.0489 -11.0489 -10.6302 -10.6302 -10.5747 -10.5747 -10.5632 -10.5632 -10.5573 -10.5573 -10.4412 -10.4412 -6.1696 -6.1696 -6.1570 -6.1570 -5.3178 -5.3178 -5.2957 -5.2957 -5.2883 -5.2883 -5.2758 -5.2758 -1.7430 -1.7430 -1.3845 -1.3845 -0.8483 -0.8483 -0.7771 -0.7771 -0.6585 -0.6585 -0.5198 -0.5198 0.2575 0.2575 0.2694 0.2694 0.5547 0.5547 1.2210 1.2210 1.5222 1.5222 1.5666 1.5666 1.5959 1.5959 1.6269 1.6269 1.7979 1.7979 1.8419 1.8419 1.9724 1.9724 2.0556 2.0556 2.2631 2.2631 2.3919 2.3919 2.5463 2.5463 3.5064 3.5064 4.3386 4.3386 10.3846 10.3846 10.7821 10.7821 11.0315 11.0315 11.1059 11.1059 11.5448 11.5448 11.6429 11.6429 k = 0.5000-0.2526 0.4338 ( 12880 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4710 -21.4710 -21.4690 -21.4690 -11.0486 -11.0486 -10.6336 -10.6336 -10.5735 -10.5735 -10.5614 -10.5614 -10.5569 -10.5569 -10.4415 -10.4415 -6.1695 -6.1695 -6.1571 -6.1571 -5.3175 -5.3175 -5.2957 -5.2957 -5.2884 -5.2884 -5.2761 -5.2761 -1.7412 -1.7412 -1.3865 -1.3865 -0.8470 -0.8470 -0.7778 -0.7778 -0.6595 -0.6595 -0.5206 -0.5206 0.2594 0.2594 0.2711 0.2711 0.5520 0.5520 1.2232 1.2232 1.5217 1.5217 1.5656 1.5656 1.5919 1.5919 1.6239 1.6239 1.8023 1.8023 1.8473 1.8473 1.9722 1.9722 2.0547 2.0547 2.2625 2.2625 2.3911 2.3911 2.5428 2.5428 3.5126 3.5126 4.3350 4.3350 10.3915 10.3915 10.7883 10.7883 11.0338 11.0338 11.1106 11.1106 11.5493 11.5493 11.6330 11.6330 k = 0.5000-0.2345 0.4465 ( 12858 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4710 -21.4710 -21.4690 -21.4690 -11.0480 -11.0480 -10.6386 -10.6386 -10.5724 -10.5724 -10.5595 -10.5595 -10.5549 -10.5549 -10.4421 -10.4421 -6.1693 -6.1693 -6.1572 -6.1572 -5.3171 -5.3171 -5.2958 -5.2958 -5.2884 -5.2884 -5.2765 -5.2765 -1.7383 -1.7383 -1.3898 -1.3898 -0.8447 -0.8447 -0.7789 -0.7789 -0.6611 -0.6611 -0.5219 -0.5219 0.2625 0.2625 0.2740 0.2740 0.5475 0.5475 1.2268 1.2268 1.5206 1.5206 1.5638 1.5638 1.5865 1.5865 1.6190 1.6190 1.8073 1.8073 1.8578 1.8578 1.9711 1.9711 2.0541 2.0541 2.2616 2.2616 2.3900 2.3900 2.5371 2.5371 3.5227 3.5227 4.3291 4.3291 10.4029 10.4029 10.7987 10.7987 11.0375 11.0375 11.1184 11.1184 11.5567 11.5567 11.6160 11.6160 k = 0.5000-0.2165 0.4593 ( 12864 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4710 -21.4710 -21.4690 -21.4690 -11.0473 -11.0473 -10.6444 -10.6444 -10.5716 -10.5716 -10.5588 -10.5588 -10.5503 -10.5503 -10.4429 -10.4429 -6.1691 -6.1691 -6.1574 -6.1574 -5.3165 -5.3165 -5.2958 -5.2958 -5.2885 -5.2885 -5.2771 -5.2771 -1.7342 -1.7342 -1.3944 -1.3944 -0.8416 -0.8416 -0.7803 -0.7803 -0.6633 -0.6633 -0.5237 -0.5237 0.2667 0.2667 0.2779 0.2779 0.5414 0.5414 1.2318 1.2318 1.5188 1.5188 1.5605 1.5605 1.5816 1.5816 1.6126 1.6126 1.8110 1.8110 1.8738 1.8738 1.9682 1.9682 2.0546 2.0546 2.2604 2.2604 2.3884 2.3884 2.5291 2.5291 3.5364 3.5364 4.3209 4.3209 10.4189 10.4189 10.8131 10.8131 11.0425 11.0425 11.1292 11.1292 11.5668 11.5668 11.5916 11.5916 k = 0.5000-0.1985 0.4720 ( 12868 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4709 -21.4709 -21.4691 -21.4691 -11.0465 -11.0465 -10.6508 -10.6508 -10.5710 -10.5710 -10.5587 -10.5587 -10.5445 -10.5445 -10.4439 -10.4439 -6.1689 -6.1689 -6.1577 -6.1577 -5.3158 -5.3158 -5.2958 -5.2958 -5.2885 -5.2885 -5.2778 -5.2778 -1.7291 -1.7291 -1.4001 -1.4001 -0.8378 -0.8378 -0.7819 -0.7819 -0.6662 -0.6662 -0.5259 -0.5259 0.2720 0.2720 0.2827 0.2827 0.5338 0.5338 1.2381 1.2381 1.5160 1.5160 1.5556 1.5556 1.5785 1.5785 1.6050 1.6050 1.8134 1.8134 1.8943 1.8943 1.9628 1.9628 2.0572 2.0572 2.2587 2.2587 2.3864 2.3864 2.5190 2.5190 3.5534 3.5534 4.3107 4.3107 10.4392 10.4392 10.8315 10.8315 11.0489 11.0489 11.1431 11.1431 11.5584 11.5584 11.5806 11.5806 k = 0.5000-0.1804 0.4848 ( 12852 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4709 -21.4709 -21.4691 -21.4691 -11.0455 -11.0455 -10.6572 -10.6572 -10.5707 -10.5707 -10.5587 -10.5587 -10.5381 -10.5381 -10.4452 -10.4452 -6.1685 -6.1685 -6.1580 -6.1580 -5.3149 -5.3149 -5.2959 -5.2959 -5.2886 -5.2886 -5.2787 -5.2787 -1.7230 -1.7230 -1.4069 -1.4069 -0.8332 -0.8332 -0.7837 -0.7837 -0.6698 -0.6698 -0.5283 -0.5283 0.2782 0.2782 0.2884 0.2884 0.5247 0.5247 1.2458 1.2458 1.5117 1.5117 1.5496 1.5496 1.5770 1.5770 1.5970 1.5970 1.8149 1.8149 1.9177 1.9177 1.9548 1.9548 2.0622 2.0622 2.2567 2.2567 2.3841 2.3841 2.5068 2.5068 3.5731 3.5731 4.2985 4.2985 10.4640 10.4640 10.8535 10.8535 11.0564 11.0564 11.1600 11.1600 11.5185 11.5185 11.5958 11.5958 k = 0.5000-0.1624 0.4976 ( 12852 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4708 -21.4708 -21.4692 -21.4692 -11.0444 -11.0444 -10.6636 -10.6636 -10.5704 -10.5704 -10.5587 -10.5587 -10.5315 -10.5315 -10.4467 -10.4467 -6.1682 -6.1682 -6.1584 -6.1584 -5.3138 -5.3138 -5.2960 -5.2960 -5.2887 -5.2887 -5.2797 -5.2797 -1.7161 -1.7161 -1.4146 -1.4146 -0.8280 -0.8280 -0.7855 -0.7855 -0.6740 -0.6740 -0.5309 -0.5309 0.2853 0.2853 0.2946 0.2946 0.5144 0.5144 1.2547 1.2547 1.5057 1.5057 1.5435 1.5435 1.5762 1.5762 1.5897 1.5897 1.8159 1.8159 1.9382 1.9382 1.9495 1.9495 2.0695 2.0695 2.2544 2.2544 2.3815 2.3815 2.4926 2.4926 3.5950 3.5950 4.2845 4.2845 10.4931 10.4931 10.8791 10.8791 11.0651 11.0651 11.1798 11.1798 11.4716 11.4716 11.6134 11.6134 k = 0.5000-0.1443 0.5103 ( 12856 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4707 -21.4707 -21.4692 -21.4692 -11.0432 -11.0432 -10.6697 -10.6697 -10.5702 -10.5702 -10.5588 -10.5588 -10.5249 -10.5249 -10.4485 -10.4485 -6.1678 -6.1678 -6.1588 -6.1588 -5.3127 -5.3127 -5.2961 -5.2961 -5.2888 -5.2888 -5.2807 -5.2807 -1.7085 -1.7085 -1.4230 -1.4230 -0.8225 -0.8225 -0.7870 -0.7870 -0.6789 -0.6789 -0.5336 -0.5336 0.2932 0.2932 0.3014 0.3014 0.5029 0.5029 1.2648 1.2648 1.4978 1.4978 1.5379 1.5379 1.5735 1.5735 1.5856 1.5856 1.8167 1.8167 1.9298 1.9298 1.9721 1.9721 2.0787 2.0787 2.2518 2.2518 2.3786 2.3786 2.4766 2.4766 3.6186 3.6186 4.2692 4.2692 10.5263 10.5263 10.9077 10.9077 11.0747 11.0747 11.2024 11.2024 11.4187 11.4187 11.6315 11.6315 k = 0.5000-0.1263 0.5231 ( 12842 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4707 -21.4707 -21.4693 -21.4693 -11.0421 -11.0421 -10.6753 -10.6753 -10.5700 -10.5700 -10.5589 -10.5589 -10.5185 -10.5185 -10.4504 -10.4504 -6.1673 -6.1673 -6.1592 -6.1592 -5.3114 -5.3114 -5.2963 -5.2963 -5.2889 -5.2889 -5.2818 -5.2818 -1.7004 -1.7004 -1.4320 -1.4320 -0.8168 -0.8168 -0.7880 -0.7880 -0.6844 -0.6844 -0.5362 -0.5362 0.3015 0.3015 0.3085 0.3085 0.4905 0.4905 1.2760 1.2760 1.4879 1.4879 1.5333 1.5333 1.5677 1.5677 1.5861 1.5861 1.8172 1.8172 1.9167 1.9167 1.9987 1.9987 2.0896 2.0896 2.2492 2.2492 2.3755 2.3755 2.4592 2.4592 3.6430 3.6430 4.2528 4.2528 10.5635 10.5635 10.9389 10.9389 11.0854 11.0854 11.2278 11.2278 11.3613 11.3613 11.6084 11.6084 k = 0.5000-0.1083 0.5358 ( 12844 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4706 -21.4706 -21.4694 -21.4694 -11.0409 -11.0409 -10.6805 -10.6805 -10.5698 -10.5698 -10.5590 -10.5590 -10.5123 -10.5123 -10.4526 -10.4526 -6.1668 -6.1668 -6.1597 -6.1597 -5.3101 -5.3101 -5.2966 -5.2966 -5.2891 -5.2891 -5.2829 -5.2829 -1.6921 -1.6921 -1.4412 -1.4412 -0.8118 -0.8118 -0.7877 -0.7877 -0.6904 -0.6904 -0.5387 -0.5387 0.3097 0.3097 0.3164 0.3164 0.4774 0.4774 1.2883 1.2883 1.4761 1.4761 1.5298 1.5298 1.5611 1.5611 1.5887 1.5887 1.8177 1.8177 1.9032 1.9032 2.0245 2.0245 2.1018 2.1018 2.2467 2.2467 2.3719 2.3719 2.4405 2.4405 3.6675 3.6675 4.2358 4.2358 10.6046 10.6046 10.9717 10.9717 11.0974 11.0974 11.2558 11.2558 11.3007 11.3007 11.5688 11.5688 k = 0.5000-0.0902 0.5486 ( 12844 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4705 -21.4705 -21.4695 -21.4695 -11.0399 -11.0399 -10.6850 -10.6850 -10.5696 -10.5696 -10.5591 -10.5591 -10.5065 -10.5065 -10.4550 -10.4550 -6.1663 -6.1663 -6.1602 -6.1602 -5.3086 -5.3086 -5.2969 -5.2969 -5.2892 -5.2892 -5.2839 -5.2839 -1.6839 -1.6839 -1.4503 -1.4503 -0.8083 -0.8083 -0.7854 -0.7854 -0.6970 -0.6970 -0.5409 -0.5409 0.3168 0.3168 0.3256 0.3256 0.4638 0.4638 1.3014 1.3014 1.4629 1.4629 1.5274 1.5274 1.5549 1.5549 1.5920 1.5920 1.8180 1.8180 1.8901 1.8901 2.0481 2.0481 2.1154 2.1154 2.2450 2.2450 2.3676 2.3676 2.4216 2.4216 3.6913 3.6913 4.2189 4.2189 10.6494 10.6494 11.0044 11.0044 11.1119 11.1119 11.2378 11.2378 11.2863 11.2863 11.5259 11.5259 k = 0.5000-0.0722 0.5613 ( 12840 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4704 -21.4704 -21.4696 -21.4696 -11.0390 -11.0390 -10.6889 -10.6889 -10.5695 -10.5695 -10.5592 -10.5592 -10.5011 -10.5011 -10.4575 -10.4575 -6.1657 -6.1657 -6.1608 -6.1608 -5.3071 -5.3071 -5.2974 -5.2974 -5.2894 -5.2894 -5.2848 -5.2848 -1.6760 -1.6760 -1.4588 -1.4588 -0.8065 -0.8065 -0.7809 -0.7809 -0.7039 -0.7039 -0.5428 -0.5428 0.3225 0.3225 0.3362 0.3362 0.4499 0.4499 1.3152 1.3152 1.4486 1.4486 1.5260 1.5260 1.5492 1.5492 1.5956 1.5956 1.8183 1.8183 1.8781 1.8781 2.0682 2.0682 2.1301 2.1301 2.2447 2.2447 2.3611 2.3611 2.4039 2.4039 3.7133 3.7133 4.2028 4.2028 10.6977 10.6977 11.0342 11.0342 11.1308 11.1308 11.1738 11.1738 11.3191 11.3191 11.4808 11.4808 k = 0.5000-0.0541 0.5741 ( 12846 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4703 -21.4703 -21.4697 -21.4697 -11.0382 -11.0382 -10.6919 -10.6919 -10.5694 -10.5694 -10.5593 -10.5593 -10.4963 -10.4963 -10.4600 -10.4600 -6.1652 -6.1652 -6.1613 -6.1613 -5.3056 -5.3056 -5.2981 -5.2981 -5.2896 -5.2896 -5.2856 -5.2856 -1.6691 -1.6691 -1.4663 -1.4663 -0.8060 -0.8060 -0.7749 -0.7749 -0.7109 -0.7109 -0.5444 -0.5444 0.3270 0.3270 0.3476 0.3476 0.4361 0.4361 1.3294 1.3294 1.4337 1.4337 1.5257 1.5257 1.5442 1.5442 1.5989 1.5989 1.8186 1.8186 1.8680 1.8680 2.0839 2.0839 2.1445 2.1445 2.2472 2.2472 2.3500 2.3500 2.3905 2.3905 3.7324 3.7324 4.1885 4.1885 10.7493 10.7493 11.0574 11.0574 11.1093 11.1093 11.1571 11.1571 11.3540 11.3540 11.4342 11.4342 k = 0.5000-0.0361 0.5869 ( 12836 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4702 -21.4702 -21.4698 -21.4698 -11.0376 -11.0376 -10.6942 -10.6942 -10.5693 -10.5693 -10.5593 -10.5593 -10.4923 -10.4923 -10.4624 -10.4624 -6.1646 -6.1646 -6.1619 -6.1619 -5.3041 -5.3041 -5.2989 -5.2989 -5.2898 -5.2898 -5.2861 -5.2861 -1.6636 -1.6636 -1.4723 -1.4723 -0.8060 -0.8060 -0.7687 -0.7687 -0.7175 -0.7175 -0.5455 -0.5455 0.3303 0.3303 0.3592 0.3592 0.4227 0.4227 1.3436 1.3436 1.4189 1.4189 1.5262 1.5262 1.5400 1.5400 1.6016 1.6016 1.8188 1.8188 1.8602 1.8602 2.0949 2.0949 2.1565 2.1565 2.2540 2.2540 2.3338 2.3338 2.3830 2.3830 3.7473 3.7473 4.1771 4.1771 10.8038 10.8038 11.0453 11.0453 11.0724 11.0724 11.1906 11.1906 11.3876 11.3876 11.3909 11.3909 k = 0.5000-0.0180 0.5996 ( 12830 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4701 -21.4701 -21.4699 -21.4699 -11.0372 -11.0372 -10.6955 -10.6955 -10.5693 -10.5693 -10.5594 -10.5594 -10.4896 -10.4896 -10.4642 -10.4642 -6.1641 -6.1641 -6.1624 -6.1624 -5.3027 -5.3027 -5.2999 -5.2999 -5.2899 -5.2899 -5.2864 -5.2864 -1.6600 -1.6600 -1.4761 -1.4761 -0.8062 -0.8062 -0.7636 -0.7636 -0.7226 -0.7226 -0.5462 -0.5462 0.3323 0.3323 0.3698 0.3698 0.4109 0.4109 1.3563 1.3563 1.4057 1.4057 1.5271 1.5271 1.5369 1.5369 1.6034 1.6034 1.8189 1.8189 1.8554 1.8554 2.1015 2.1015 2.1639 2.1639 2.2648 2.2648 2.3161 2.3161 2.3795 2.3795 3.7569 3.7569 4.1697 4.1697 10.8610 10.8610 10.9823 10.9823 11.0804 11.0804 11.2272 11.2272 11.3443 11.3443 11.4294 11.4294 k = 0.5000 0.0000 0.6124 ( 12808 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4700 -21.4700 -21.4700 -21.4700 -11.0371 -11.0371 -10.6960 -10.6960 -10.5693 -10.5693 -10.5594 -10.5594 -10.4885 -10.4885 -10.4649 -10.4649 -6.1639 -6.1639 -6.1626 -6.1626 -5.3018 -5.3018 -5.3007 -5.3007 -5.2900 -5.2900 -5.2865 -5.2865 -1.6587 -1.6587 -1.4775 -1.4775 -0.8062 -0.8062 -0.7615 -0.7615 -0.7247 -0.7247 -0.5465 -0.5465 0.3330 0.3330 0.3752 0.3752 0.4052 0.4052 1.3626 1.3626 1.3994 1.3994 1.5277 1.5277 1.5355 1.5355 1.6040 1.6040 1.8189 1.8189 1.8537 1.8537 2.1038 2.1038 2.1664 2.1664 2.2724 2.2724 2.3061 2.3061 2.3786 2.3786 3.7602 3.7602 4.1672 4.1672 10.9185 10.9185 10.9229 10.9229 11.0829 11.0829 11.2495 11.2495 11.3199 11.3199 11.4687 11.4693 k = 0.5000 0.0000 0.6124 ( 12808 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4700 -21.4700 -21.4700 -21.4700 -11.0371 -11.0371 -10.6960 -10.6960 -10.5693 -10.5693 -10.5594 -10.5594 -10.4885 -10.4885 -10.4649 -10.4649 -6.1639 -6.1639 -6.1626 -6.1626 -5.3018 -5.3018 -5.3007 -5.3007 -5.2900 -5.2900 -5.2865 -5.2865 -1.6587 -1.6587 -1.4775 -1.4775 -0.8062 -0.8062 -0.7615 -0.7615 -0.7247 -0.7247 -0.5465 -0.5465 0.3330 0.3330 0.3752 0.3752 0.4052 0.4052 1.3626 1.3626 1.3994 1.3994 1.5277 1.5277 1.5355 1.5355 1.6040 1.6040 1.8189 1.8189 1.8537 1.8537 2.1038 2.1038 2.1664 2.1664 2.2724 2.2724 2.3061 2.3061 2.3786 2.3786 3.7602 3.7602 4.1672 4.1672 10.9185 10.9185 10.9229 10.9229 11.0829 11.0829 11.2495 11.2495 11.3199 11.3199 11.4687 11.4689 k = 0.4896 0.0180 0.6124 ( 12832 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4701 -21.4701 -21.4699 -21.4699 -11.0372 -11.0372 -10.6958 -10.6958 -10.5692 -10.5692 -10.5593 -10.5593 -10.4890 -10.4890 -10.4646 -10.4646 -6.1640 -6.1640 -6.1626 -6.1626 -5.3024 -5.3024 -5.3003 -5.3003 -5.2900 -5.2900 -5.2865 -5.2865 -1.6591 -1.6591 -1.4770 -1.4770 -0.8072 -0.8072 -0.7621 -0.7621 -0.7236 -0.7236 -0.5464 -0.5464 0.3266 0.3266 0.3776 0.3776 0.4088 0.4088 1.3597 1.3597 1.4025 1.4025 1.5264 1.5264 1.5355 1.5355 1.6048 1.6048 1.8202 1.8202 1.8551 1.8551 2.1028 2.1028 2.1652 2.1652 2.2684 2.2684 2.3109 2.3109 2.3788 2.3788 3.7594 3.7594 4.1682 4.1682 10.8796 10.8796 10.9561 10.9561 11.0810 11.0810 11.2390 11.2390 11.3308 11.3308 11.4433 11.4433 k = 0.4792 0.0361 0.6124 ( 12837 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4701 -21.4701 -21.4699 -21.4699 -11.0376 -11.0376 -10.6954 -10.6954 -10.5689 -10.5689 -10.5591 -10.5591 -10.4902 -10.4902 -10.4638 -10.4638 -6.1643 -6.1643 -6.1624 -6.1624 -5.3033 -5.3033 -5.3000 -5.3000 -5.2899 -5.2899 -5.2863 -5.2863 -1.6599 -1.6599 -1.4754 -1.4754 -0.8100 -0.8100 -0.7631 -0.7631 -0.7207 -0.7207 -0.5463 -0.5463 0.3112 0.3112 0.3852 0.3852 0.4158 0.4158 1.3532 1.3532 1.4099 1.4099 1.5235 1.5235 1.5346 1.5346 1.6066 1.6066 1.8241 1.8241 1.8595 1.8595 2.1000 2.1000 2.1618 2.1618 2.2608 2.2608 2.3208 2.3208 2.3795 2.3795 3.7571 3.7571 4.1711 4.1711 10.8384 10.8384 10.9800 10.9800 11.0761 11.0761 11.2183 11.2183 11.3544 11.3544 11.4194 11.4194 k = 0.4688 0.0541 0.6124 ( 12862 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4702 -21.4702 -21.4698 -21.4698 -11.0381 -11.0381 -10.6949 -10.6949 -10.5684 -10.5684 -10.5587 -10.5587 -10.4921 -10.4921 -10.4626 -10.4626 -6.1647 -6.1647 -6.1622 -6.1622 -5.3043 -5.3043 -5.2998 -5.2998 -5.2897 -5.2897 -5.2861 -5.2861 -1.6612 -1.6612 -1.4730 -1.4730 -0.8144 -0.8144 -0.7639 -0.7639 -0.7169 -0.7169 -0.5461 -0.5461 0.2927 0.2927 0.3947 0.3947 0.4235 0.4235 1.3454 1.3454 1.4188 1.4188 1.5200 1.5200 1.5328 1.5328 1.6083 1.6083 1.8303 1.8303 1.8671 1.8671 2.0952 2.0952 2.1558 2.1558 2.2537 2.2537 2.3317 2.3317 2.3808 2.3808 3.7534 3.7534 4.1755 4.1755 10.7981 10.7981 10.9917 10.9917 11.0686 11.0686 11.1979 11.1979 11.3821 11.3821 11.3976 11.3976 k = 0.4583 0.0722 0.6124 ( 12874 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4702 -21.4702 -21.4698 -21.4698 -11.0387 -11.0387 -10.6942 -10.6942 -10.5678 -10.5678 -10.5581 -10.5581 -10.4944 -10.4944 -10.4613 -10.4613 -6.1651 -6.1651 -6.1621 -6.1621 -5.3053 -5.3053 -5.2998 -5.2998 -5.2896 -5.2896 -5.2858 -5.2858 -1.6629 -1.6629 -1.4700 -1.4700 -0.8199 -0.8199 -0.7642 -0.7642 -0.7129 -0.7129 -0.5459 -0.5459 0.2740 0.2740 0.4044 0.4044 0.4311 0.4311 1.3377 1.3377 1.4281 1.4281 1.5162 1.5162 1.5303 1.5303 1.6091 1.6091 1.8386 1.8386 1.8777 1.8777 2.0886 2.0886 2.1475 2.1475 2.2484 2.2484 2.3418 2.3418 2.3829 2.3829 3.7487 3.7487 4.1812 4.1812 10.7596 10.7596 10.9927 10.9927 11.0581 11.0581 11.1815 11.1815 11.3781 11.3781 11.4103 11.4103 k = 0.4479 0.0902 0.6124 ( 12860 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4703 -21.4703 -21.4697 -21.4697 -11.0394 -11.0394 -10.6935 -10.6935 -10.5671 -10.5671 -10.5573 -10.5573 -10.4970 -10.4970 -10.4600 -10.4600 -6.1654 -6.1654 -6.1620 -6.1620 -5.3063 -5.3063 -5.3000 -5.3000 -5.2894 -5.2894 -5.2854 -5.2854 -1.6648 -1.6648 -1.4665 -1.4665 -0.8258 -0.8258 -0.7641 -0.7641 -0.7088 -0.7088 -0.5457 -0.5457 0.2561 0.2561 0.4134 0.4134 0.4384 0.4384 1.3305 1.3305 1.4373 1.4373 1.5124 1.5124 1.5276 1.5276 1.6087 1.6087 1.8486 1.8486 1.8909 1.8909 2.0801 2.0801 2.1372 2.1372 2.2451 2.2451 2.3499 2.3499 2.3861 2.3861 3.7434 3.7434 4.1876 4.1876 10.7239 10.7239 10.9863 10.9863 11.0443 11.0443 11.1699 11.1699 11.3608 11.3608 11.4356 11.4356 k = 0.4375 0.1083 0.6124 ( 12850 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4703 -21.4703 -21.4697 -21.4697 -11.0400 -11.0400 -10.6928 -10.6928 -10.5663 -10.5663 -10.5564 -10.5564 -10.4997 -10.4997 -10.4587 -10.4587 -6.1657 -6.1657 -6.1620 -6.1620 -5.3072 -5.3072 -5.3003 -5.3003 -5.2893 -5.2893 -5.2850 -5.2850 -1.6669 -1.6669 -1.4628 -1.4628 -0.8317 -0.8317 -0.7639 -0.7639 -0.7050 -0.7050 -0.5455 -0.5455 0.2397 0.2397 0.4216 0.4216 0.4451 0.4451 1.3240 1.3240 1.4459 1.4459 1.5086 1.5086 1.5251 1.5251 1.6072 1.6072 1.8602 1.8602 1.9060 1.9060 2.0700 2.0700 2.1256 2.1256 2.2434 2.2434 2.3558 2.3558 2.3906 2.3906 3.7377 3.7377 4.1943 4.1943 10.6917 10.6917 10.9761 10.9761 11.0281 11.0281 11.1620 11.1620 11.3458 11.3458 11.4554 11.4554 k = 0.4271 0.1263 0.6124 ( 12850 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4703 -21.4703 -21.4696 -21.4696 -11.0407 -11.0407 -10.6922 -10.6922 -10.5656 -10.5656 -10.5553 -10.5553 -10.5024 -10.5024 -10.4576 -10.4576 -6.1660 -6.1660 -6.1620 -6.1620 -5.3080 -5.3080 -5.3006 -5.3006 -5.2892 -5.2892 -5.2846 -5.2846 -1.6688 -1.6688 -1.4592 -1.4592 -0.8371 -0.8371 -0.7636 -0.7636 -0.7016 -0.7016 -0.5453 -0.5453 0.2253 0.2253 0.4286 0.4286 0.4510 0.4510 1.3183 1.3183 1.4537 1.4537 1.5051 1.5051 1.5231 1.5231 1.6046 1.6046 1.8729 1.8729 1.9222 1.9222 2.0585 2.0585 2.1131 2.1131 2.2428 2.2428 2.3596 2.3596 2.3959 2.3959 3.7322 3.7322 4.2008 4.2008 10.6634 10.6634 10.9645 10.9645 11.0114 11.0114 11.1564 11.1564 11.3330 11.3330 11.4687 11.4687 k = 0.4167 0.1443 0.6124 ( 12862 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4704 -21.4704 -21.4696 -21.4696 -11.0413 -11.0413 -10.6916 -10.6916 -10.5650 -10.5650 -10.5541 -10.5541 -10.5050 -10.5050 -10.4566 -10.4566 -6.1663 -6.1663 -6.1620 -6.1620 -5.3087 -5.3087 -5.3009 -5.3009 -5.2891 -5.2891 -5.2842 -5.2842 -1.6706 -1.6706 -1.4559 -1.4559 -0.8419 -0.8419 -0.7633 -0.7633 -0.6987 -0.6987 -0.5451 -0.5451 0.2131 0.2131 0.4344 0.4344 0.4561 0.4561 1.3135 1.3135 1.4604 1.4604 1.5020 1.5020 1.5218 1.5218 1.6015 1.6015 1.8864 1.8864 1.9385 1.9385 2.0463 2.0463 2.1003 2.1003 2.2428 2.2428 2.3618 2.3618 2.4012 2.4012 3.7271 3.7271 4.2067 4.2067 10.6397 10.6397 10.9532 10.9532 10.9960 10.9960 11.1522 11.1522 11.3226 11.3226 11.4765 11.4765 k = 0.4062 0.1624 0.6124 ( 12847 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4704 -21.4704 -21.4696 -21.4696 -11.0418 -11.0418 -10.6911 -10.6911 -10.5645 -10.5645 -10.5529 -10.5529 -10.5072 -10.5072 -10.4558 -10.4558 -6.1665 -6.1665 -6.1620 -6.1620 -5.3093 -5.3093 -5.3011 -5.3011 -5.2891 -5.2891 -5.2839 -5.2839 -1.6721 -1.6721 -1.4531 -1.4531 -0.8458 -0.8458 -0.7630 -0.7630 -0.6964 -0.6964 -0.5450 -0.5450 0.2033 0.2033 0.4390 0.4390 0.4602 0.4602 1.3098 1.3098 1.4657 1.4657 1.4993 1.4993 1.5213 1.5213 1.5982 1.5982 1.9000 1.9000 1.9536 1.9536 2.0346 2.0346 2.0876 2.0876 2.2431 2.2431 2.3631 2.3631 2.4058 2.4058 3.7228 3.7228 4.2116 4.2116 10.6209 10.6209 10.9434 10.9434 10.9831 10.9831 11.1490 11.1490 11.3145 11.3145 11.4805 11.4805 k = 0.3958 0.1804 0.6124 ( 12849 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4704 -21.4704 -21.4696 -21.4696 -11.0421 -11.0421 -10.6908 -10.6908 -10.5642 -10.5642 -10.5518 -10.5518 -10.5090 -10.5090 -10.4552 -10.4552 -6.1667 -6.1667 -6.1620 -6.1620 -5.3097 -5.3097 -5.3013 -5.3013 -5.2890 -5.2890 -5.2837 -5.2837 -1.6733 -1.6733 -1.4510 -1.4510 -0.8487 -0.8487 -0.7629 -0.7629 -0.6947 -0.6947 -0.5449 -0.5449 0.1963 0.1963 0.4423 0.4423 0.4632 0.4632 1.3071 1.3071 1.4696 1.4696 1.4972 1.4972 1.5213 1.5213 1.5954 1.5954 1.9128 1.9128 1.9655 1.9655 2.0251 2.0251 2.0757 2.0757 2.2435 2.2435 2.3638 2.3638 2.4094 2.4094 3.7195 3.7195 4.2154 4.2154 10.6073 10.6073 10.9359 10.9359 10.9735 10.9735 11.1467 11.1467 11.3086 11.3086 11.4821 11.4821 k = 0.3854 0.1985 0.6124 ( 12849 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4704 -21.4704 -21.4696 -21.4696 -11.0423 -11.0423 -10.6905 -10.6905 -10.5640 -10.5640 -10.5511 -10.5511 -10.5102 -10.5102 -10.4549 -10.4549 -6.1668 -6.1668 -6.1620 -6.1620 -5.3099 -5.3099 -5.3014 -5.3014 -5.2890 -5.2890 -5.2836 -5.2836 -1.6740 -1.6740 -1.4496 -1.4496 -0.8505 -0.8505 -0.7628 -0.7628 -0.6936 -0.6936 -0.5448 -0.5448 0.1920 0.1920 0.4443 0.4443 0.4650 0.4650 1.3055 1.3055 1.4719 1.4719 1.4959 1.4959 1.5216 1.5216 1.5934 1.5934 1.9228 1.9228 1.9717 1.9717 2.0204 2.0204 2.0662 2.0662 2.2437 2.2437 2.3642 2.3642 2.4116 2.4116 3.7175 3.7175 4.2177 4.2177 10.5990 10.5990 10.9312 10.9312 10.9675 10.9675 11.1453 11.1453 11.3052 11.3052 11.4827 11.4827 k = 0.3750 0.2165 0.6124 ( 12858 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4704 -21.4704 -21.4696 -21.4696 -11.0424 -11.0424 -10.6905 -10.6905 -10.5640 -10.5640 -10.5508 -10.5508 -10.5106 -10.5106 -10.4547 -10.4547 -6.1668 -6.1668 -6.1620 -6.1620 -5.3100 -5.3100 -5.3015 -5.3015 -5.2890 -5.2890 -5.2835 -5.2835 -1.6742 -1.6742 -1.4492 -1.4492 -0.8511 -0.8511 -0.7627 -0.7627 -0.6933 -0.6933 -0.5448 -0.5448 0.1905 0.1905 0.4449 0.4449 0.4656 0.4656 1.3049 1.3049 1.4727 1.4727 1.4955 1.4955 1.5218 1.5218 1.5926 1.5926 1.9269 1.9269 1.9729 1.9729 2.0198 2.0198 2.0622 2.0622 2.2438 2.2438 2.3643 2.3643 2.4124 2.4124 3.7168 3.7168 4.2185 4.2185 10.5962 10.5962 10.9296 10.9296 10.9655 10.9655 11.1448 11.1448 11.3040 11.3040 11.4828 11.4828 k = 0.3750 0.2165 0.6124 ( 12858 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4704 -21.4704 -21.4696 -21.4696 -11.0424 -11.0424 -10.6905 -10.6905 -10.5640 -10.5640 -10.5508 -10.5508 -10.5106 -10.5106 -10.4547 -10.4547 -6.1668 -6.1668 -6.1620 -6.1620 -5.3100 -5.3100 -5.3015 -5.3015 -5.2890 -5.2890 -5.2835 -5.2835 -1.6742 -1.6742 -1.4492 -1.4492 -0.8511 -0.8511 -0.7627 -0.7627 -0.6933 -0.6933 -0.5448 -0.5448 0.1905 0.1905 0.4449 0.4449 0.4656 0.4656 1.3049 1.3049 1.4727 1.4727 1.4955 1.4955 1.5218 1.5218 1.5926 1.5926 1.9269 1.9269 1.9729 1.9729 2.0198 2.0198 2.0622 2.0622 2.2438 2.2438 2.3643 2.3643 2.4124 2.4124 3.7168 3.7168 4.2185 4.2185 10.5962 10.5962 10.9296 10.9296 10.9655 10.9655 11.1448 11.1448 11.3040 11.3040 11.4828 11.4828 k = 0.3640 0.2101 0.5944 ( 12854 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4703 -21.4703 -21.4697 -21.4697 -11.0427 -11.0427 -10.6946 -10.6946 -10.5637 -10.5637 -10.5485 -10.5485 -10.5057 -10.5057 -10.4570 -10.4570 -6.1665 -6.1665 -6.1631 -6.1631 -5.3092 -5.3092 -5.3034 -5.3034 -5.2890 -5.2890 -5.2845 -5.2845 -1.6629 -1.6629 -1.4576 -1.4576 -0.8599 -0.8599 -0.7558 -0.7558 -0.6982 -0.6982 -0.5476 -0.5476 0.1792 0.1792 0.4389 0.4389 0.4822 0.4822 1.3187 1.3187 1.4519 1.4519 1.4889 1.4889 1.5214 1.5214 1.5997 1.5997 1.9440 1.9440 1.9806 1.9806 2.0380 2.0380 2.0683 2.0683 2.2414 2.2414 2.3598 2.3598 2.3907 2.3907 3.7474 3.7474 4.2021 4.2021 10.6195 10.6195 10.8531 10.8531 10.9731 10.9731 11.1303 11.1303 11.3406 11.3406 11.4215 11.4215 k = 0.3529 0.2038 0.5764 ( 12870 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4702 -21.4702 -21.4698 -21.4698 -11.0434 -11.0434 -10.6979 -10.6979 -10.5635 -10.5635 -10.5460 -10.5460 -10.5010 -10.5010 -10.4595 -10.4595 -6.1663 -6.1663 -6.1643 -6.1643 -5.3086 -5.3086 -5.3056 -5.3056 -5.2891 -5.2891 -5.2854 -5.2854 -1.6511 -1.6511 -1.4657 -1.4657 -0.8702 -0.8702 -0.7492 -0.7492 -0.7029 -0.7029 -0.5500 -0.5500 0.1677 0.1677 0.4247 0.4247 0.5057 0.5057 1.3328 1.3328 1.4313 1.4313 1.4835 1.4835 1.5230 1.5230 1.6083 1.6083 1.9598 1.9598 1.9895 1.9895 2.0554 2.0554 2.0764 2.0764 2.2393 2.2393 2.3544 2.3544 2.3692 2.3692 3.7786 3.7786 4.1861 4.1861 10.6399 10.6399 10.7672 10.7672 10.9709 10.9709 11.1214 11.1214 11.3597 11.3597 11.3801 11.3801 k = 0.3419 0.1974 0.5583 ( 12870 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4701 -21.4701 -21.4699 -21.4699 -11.0447 -11.0447 -10.7002 -10.7002 -10.5633 -10.5633 -10.5433 -10.5433 -10.4966 -10.4966 -10.4620 -10.4620 -6.1665 -6.1665 -6.1653 -6.1653 -5.3088 -5.3088 -5.3073 -5.3073 -5.2893 -5.2893 -5.2863 -5.2863 -1.6388 -1.6388 -1.4733 -1.4733 -0.8819 -0.8819 -0.7435 -0.7435 -0.7069 -0.7069 -0.5521 -0.5521 0.1560 0.1560 0.4094 0.4094 0.5285 0.5285 1.3463 1.3463 1.4127 1.4127 1.4793 1.4793 1.5263 1.5263 1.6185 1.6185 1.9723 1.9723 2.0021 2.0021 2.0696 2.0696 2.0879 2.0879 2.2378 2.2378 2.3420 2.3420 2.3546 2.3546 3.8099 3.8099 4.1708 4.1708 10.6566 10.6566 10.6769 10.6769 10.9544 10.9544 11.1162 11.1162 11.2968 11.2968 11.4225 11.4225 k = 0.3309 0.1910 0.5403 ( 12878 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4700 -21.4700 -21.4700 -21.4700 -11.0466 -11.0466 -10.7014 -10.7014 -10.5631 -10.5631 -10.5404 -10.5404 -10.4925 -10.4925 -10.4645 -10.4645 -6.1678 -6.1678 -6.1655 -6.1655 -5.3113 -5.3113 -5.3073 -5.3073 -5.2900 -5.2900 -5.2869 -5.2869 -1.6263 -1.6263 -1.4804 -1.4804 -0.8950 -0.8950 -0.7394 -0.7394 -0.7098 -0.7098 -0.5538 -0.5538 0.1444 0.1444 0.3936 0.3936 0.5494 0.5494 1.3564 1.3564 1.3996 1.3996 1.4764 1.4764 1.5312 1.5312 1.6305 1.6305 1.9809 1.9809 2.0188 2.0188 2.0802 2.0802 2.1022 2.1022 2.2372 2.2372 2.3206 2.3206 2.3491 2.3491 3.8413 3.8413 4.1564 4.1564 10.5838 10.5838 10.6693 10.6693 10.9236 10.9236 11.1115 11.1115 11.2329 11.2329 11.4344 11.4344 k = 0.3199 0.1847 0.5223 ( 12856 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4702 -21.4702 -21.4699 -21.4699 -11.0491 -11.0491 -10.7017 -10.7017 -10.5629 -10.5629 -10.5375 -10.5375 -10.4886 -10.4886 -10.4671 -10.4671 -6.1696 -6.1696 -6.1654 -6.1654 -5.3142 -5.3142 -5.3071 -5.3071 -5.2912 -5.2912 -5.2871 -5.2871 -1.6134 -1.6134 -1.4869 -1.4869 -0.9094 -0.9094 -0.7377 -0.7377 -0.7109 -0.7109 -0.5551 -0.5551 0.1331 0.1331 0.3777 0.3777 0.5676 0.5676 1.3565 1.3565 1.3992 1.3992 1.4747 1.4747 1.5378 1.5378 1.6444 1.6444 1.9872 1.9872 2.0382 2.0382 2.0894 2.0894 2.1163 2.1163 2.2379 2.2379 2.2987 2.2987 2.3453 2.3453 3.8726 3.8726 4.1432 4.1432 10.4890 10.4890 10.6774 10.6774 10.8811 10.8811 11.0990 11.0990 11.1728 11.1728 11.3356 11.3356 k = 0.3088 0.1783 0.5043 ( 12860 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4703 -21.4703 -21.4697 -21.4697 -11.0522 -11.0522 -10.7008 -10.7008 -10.5627 -10.5627 -10.5345 -10.5345 -10.4851 -10.4851 -10.4697 -10.4697 -6.1715 -6.1715 -6.1654 -6.1654 -5.3174 -5.3174 -5.3070 -5.3070 -5.2930 -5.2930 -5.2871 -5.2871 -1.6005 -1.6005 -1.4925 -1.4925 -0.9251 -0.9251 -0.7383 -0.7383 -0.7103 -0.7103 -0.5561 -0.5561 0.1222 0.1222 0.3618 0.3618 0.5826 0.5826 1.3480 1.3480 1.4103 1.4103 1.4744 1.4744 1.5461 1.5461 1.6603 1.6603 1.9923 1.9923 2.0586 2.0586 2.0985 2.0985 2.1281 2.1281 2.2400 2.2400 2.2780 2.2780 2.3423 2.3423 3.9035 3.9035 4.1314 4.1314 10.3929 10.3929 10.6807 10.6807 10.8300 10.8300 11.0583 11.0583 11.1346 11.1346 11.2374 11.2374 k = 0.2978 0.1719 0.4863 ( 12860 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4705 -21.4705 -21.4696 -21.4696 -11.0559 -11.0559 -10.6989 -10.6989 -10.5624 -10.5624 -10.5315 -10.5315 -10.4820 -10.4820 -10.4721 -10.4721 -6.1737 -6.1737 -6.1654 -6.1654 -5.3208 -5.3208 -5.3070 -5.3070 -5.2951 -5.2951 -5.2870 -5.2870 -1.5874 -1.5874 -1.4973 -1.4973 -0.9422 -0.9422 -0.7405 -0.7405 -0.7089 -0.7089 -0.5569 -0.5569 0.1119 0.1119 0.3460 0.3460 0.5940 0.5940 1.3387 1.3387 1.4253 1.4253 1.4757 1.4757 1.5562 1.5562 1.6779 1.6779 1.9965 1.9965 2.0793 2.0793 2.1080 2.1080 2.1366 2.1366 2.2410 2.2410 2.2616 2.2616 2.3405 2.3405 3.9339 3.9339 4.1211 4.1211 10.2961 10.2961 10.6792 10.6792 10.7723 10.7723 10.9909 10.9909 11.1161 11.1161 11.1401 11.1401 k = 0.2868 0.1656 0.4683 ( 12864 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4706 -21.4706 -21.4695 -21.4695 -11.0603 -11.0603 -10.6959 -10.6959 -10.5621 -10.5621 -10.5285 -10.5285 -10.4795 -10.4795 -10.4740 -10.4740 -6.1761 -6.1761 -6.1656 -6.1656 -5.3244 -5.3244 -5.3072 -5.3072 -5.2975 -5.2975 -5.2870 -5.2870 -1.5744 -1.5744 -1.5012 -1.5012 -0.9604 -0.9604 -0.7434 -0.7434 -0.7076 -0.7076 -0.5576 -0.5576 0.1023 0.1023 0.3304 0.3304 0.6012 0.6012 1.3316 1.3316 1.4412 1.4412 1.4789 1.4789 1.5681 1.5681 1.6973 1.6973 2.0002 2.0002 2.0989 2.0989 2.1178 2.1178 2.1425 2.1425 2.2319 2.2319 2.2589 2.2589 2.3403 2.3403 3.9638 3.9638 4.1125 4.1125 10.1988 10.1988 10.6728 10.6728 10.7098 10.7098 10.9153 10.9153 11.0439 11.0439 11.0996 11.0996 k = 0.2757 0.1592 0.4503 ( 12862 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4708 -21.4708 -21.4693 -21.4693 -11.0652 -11.0652 -10.6920 -10.6920 -10.5617 -10.5617 -10.5257 -10.5257 -10.4789 -10.4789 -10.4741 -10.4741 -6.1786 -6.1786 -6.1658 -6.1658 -5.3281 -5.3281 -5.3075 -5.3075 -5.3003 -5.3003 -5.2871 -5.2871 -1.5614 -1.5614 -1.5041 -1.5041 -0.9800 -0.9800 -0.7463 -0.7463 -0.7066 -0.7066 -0.5583 -0.5583 0.0936 0.0936 0.3150 0.3150 0.6042 0.6042 1.3274 1.3274 1.4565 1.4565 1.4847 1.4847 1.5819 1.5819 1.7180 1.7180 2.0033 2.0033 2.1156 2.1156 2.1266 2.1266 2.1492 2.1492 2.2178 2.2178 2.2642 2.2642 2.3425 2.3425 3.9929 3.9929 4.1059 4.1059 10.1013 10.1013 10.6434 10.6434 10.6616 10.6616 10.8374 10.8374 10.9495 10.9495 11.0796 11.0796 k = 0.2647 0.1528 0.4323 ( 12870 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4709 -21.4709 -21.4692 -21.4692 -11.0706 -11.0706 -10.6872 -10.6872 -10.5612 -10.5612 -10.5231 -10.5231 -10.4802 -10.4802 -10.4722 -10.4722 -6.1813 -6.1813 -6.1660 -6.1660 -5.3318 -5.3318 -5.3080 -5.3080 -5.3034 -5.3034 -5.2873 -5.2873 -1.5486 -1.5486 -1.5060 -1.5060 -1.0007 -1.0007 -0.7491 -0.7491 -0.7063 -0.7063 -0.5592 -0.5592 0.0859 0.0859 0.2999 0.2999 0.6027 0.6027 1.3266 1.3266 1.4693 1.4693 1.4945 1.4945 1.5975 1.5975 1.7396 1.7396 2.0059 2.0059 2.1249 2.1249 2.1335 2.1335 2.1616 2.1616 2.2059 2.2059 2.2700 2.2700 2.3478 2.3478 4.0212 4.0212 4.1012 4.1012 10.0039 10.0039 10.5737 10.5737 10.6460 10.6460 10.7595 10.7595 10.8569 10.8569 11.0556 11.0556 k = 0.2537 0.1465 0.4143 ( 12870 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4711 -21.4711 -21.4690 -21.4690 -11.0765 -11.0765 -10.6817 -10.6817 -10.5607 -10.5607 -10.5208 -10.5208 -10.4817 -10.4817 -10.4700 -10.4700 -6.1842 -6.1842 -6.1664 -6.1664 -5.3357 -5.3357 -5.3090 -5.3090 -5.3063 -5.3063 -5.2877 -5.2877 -1.5360 -1.5360 -1.5068 -1.5068 -1.0226 -1.0226 -0.7515 -0.7515 -0.7065 -0.7065 -0.5604 -0.5604 0.0792 0.0792 0.2852 0.2852 0.5969 0.5969 1.3293 1.3293 1.4793 1.4793 1.5086 1.5086 1.6150 1.6150 1.7613 1.7613 2.0078 2.0078 2.1236 2.1236 2.1440 2.1440 2.1748 2.1748 2.2014 2.2014 2.2743 2.2743 2.3564 2.3564 4.0486 4.0486 4.0986 4.0986 9.9067 9.9067 10.5012 10.5012 10.6261 10.6261 10.6828 10.6828 10.7665 10.7665 11.0275 11.0275 k = 0.2426 0.1401 0.3962 ( 12870 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4712 -21.4712 -21.4689 -21.4689 -11.0826 -11.0826 -10.6754 -10.6754 -10.5601 -10.5601 -10.5191 -10.5191 -10.4828 -10.4828 -10.4679 -10.4679 -6.1872 -6.1872 -6.1669 -6.1669 -5.3396 -5.3396 -5.3117 -5.3117 -5.3079 -5.3079 -5.2883 -5.2883 -1.5238 -1.5238 -1.5065 -1.5065 -1.0456 -1.0456 -0.7535 -0.7535 -0.7073 -0.7073 -0.5620 -0.5620 0.0736 0.0736 0.2708 0.2708 0.5869 0.5869 1.3355 1.3355 1.4879 1.4879 1.5255 1.5255 1.6343 1.6343 1.7823 1.7823 2.0091 2.0091 2.1190 2.1190 2.1544 2.1544 2.1776 2.1776 2.2125 2.2125 2.2772 2.2772 2.3679 2.3679 4.0749 4.0749 4.0982 4.0982 9.8101 9.8101 10.4264 10.4264 10.6024 10.6024 10.6082 10.6082 10.6784 10.6784 10.9958 10.9958 k = 0.2316 0.1337 0.3782 ( 12860 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4714 -21.4714 -21.4688 -21.4688 -11.0891 -11.0891 -10.6685 -10.6685 -10.5594 -10.5594 -10.5179 -10.5179 -10.4833 -10.4833 -10.4659 -10.4659 -6.1903 -6.1903 -6.1675 -6.1675 -5.3435 -5.3435 -5.3157 -5.3157 -5.3087 -5.3087 -5.2890 -5.2890 -1.5122 -1.5122 -1.5048 -1.5048 -1.0694 -1.0694 -0.7551 -0.7551 -0.7084 -0.7084 -0.5640 -0.5640 0.0691 0.0691 0.2570 0.2570 0.5728 0.5728 1.3450 1.3450 1.4966 1.4966 1.5435 1.5435 1.6552 1.6552 1.8018 1.8018 2.0098 2.0098 2.1139 2.1139 2.1600 2.1600 2.1804 2.1804 2.2312 2.2312 2.2796 2.2796 2.3813 2.3813 4.0989 4.0989 4.1013 4.1013 9.7143 9.7143 10.3501 10.3501 10.5358 10.5358 10.5751 10.5751 10.5931 10.5931 10.9611 10.9611 k = 0.2206 0.1274 0.3602 ( 12872 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4715 -21.4715 -21.4686 -21.4686 -11.0957 -11.0957 -10.6611 -10.6611 -10.5587 -10.5587 -10.5175 -10.5175 -10.4831 -10.4831 -10.4640 -10.4640 -6.1935 -6.1935 -6.1681 -6.1681 -5.3475 -5.3475 -5.3201 -5.3201 -5.3093 -5.3093 -5.2899 -5.2899 -1.5043 -1.5043 -1.4988 -1.4988 -1.0941 -1.0941 -0.7561 -0.7561 -0.7099 -0.7099 -0.5665 -0.5665 0.0656 0.0656 0.2436 0.2436 0.5551 0.5551 1.3575 1.3575 1.5058 1.5058 1.5620 1.5620 1.6778 1.6778 1.8188 1.8188 2.0098 2.0098 2.1093 2.1093 2.1587 2.1587 2.1916 2.1916 2.2489 2.2489 2.2841 2.2841 2.3958 2.3958 4.1037 4.1037 4.1246 4.1246 9.6196 9.6196 10.2728 10.2728 10.4658 10.4658 10.5100 10.5100 10.5452 10.5452 10.9239 10.9239 k = 0.2096 0.1210 0.3422 ( 12868 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4717 -21.4717 -21.4685 -21.4685 -11.1025 -11.1025 -10.6534 -10.6534 -10.5579 -10.5579 -10.5178 -10.5178 -10.4821 -10.4821 -10.4623 -10.4623 -6.1969 -6.1969 -6.1688 -6.1688 -5.3514 -5.3514 -5.3248 -5.3248 -5.3099 -5.3099 -5.2911 -5.2911 -1.5003 -1.5003 -1.4883 -1.4883 -1.1194 -1.1194 -0.7567 -0.7567 -0.7117 -0.7117 -0.5693 -0.5693 0.0633 0.0633 0.2307 0.2307 0.5341 0.5341 1.3729 1.3729 1.5158 1.5158 1.5808 1.5808 1.7019 1.7019 1.8326 1.8326 2.0092 2.0092 2.1053 2.1053 2.1562 2.1562 2.2072 2.2072 2.2602 2.2602 2.2951 2.2951 2.4109 2.4109 4.1097 4.1097 4.1476 4.1476 9.5261 9.5261 10.1956 10.1956 10.3981 10.3981 10.4301 10.4301 10.5122 10.5122 10.8850 10.8850 k = 0.1985 0.1146 0.3242 ( 12856 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4718 -21.4718 -21.4684 -21.4684 -11.1093 -11.1093 -10.6453 -10.6453 -10.5571 -10.5571 -10.5188 -10.5188 -10.4806 -10.4806 -10.4608 -10.4608 -6.2003 -6.2003 -6.1696 -6.1696 -5.3553 -5.3553 -5.3297 -5.3297 -5.3105 -5.3105 -5.2923 -5.2923 -1.4959 -1.4959 -1.4777 -1.4777 -1.1451 -1.1451 -0.7568 -0.7568 -0.7136 -0.7136 -0.5724 -0.5724 0.0620 0.0620 0.2184 0.2184 0.5103 0.5103 1.3907 1.3907 1.5266 1.5266 1.5997 1.5997 1.7271 1.7271 1.8429 1.8429 2.0080 2.0080 2.1012 2.1012 2.1550 2.1550 2.2255 2.2255 2.2642 2.2642 2.3132 2.3132 2.4260 2.4260 4.1178 4.1178 4.1694 4.1694 9.4343 9.4343 10.1190 10.1190 10.3325 10.3325 10.3534 10.3534 10.4772 10.4772 10.8450 10.8450 k = 0.1875 0.1083 0.3062 ( 12862 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4720 -21.4720 -21.4683 -21.4683 -11.1160 -11.1160 -10.6371 -10.6371 -10.5562 -10.5562 -10.5201 -10.5201 -10.4786 -10.4786 -10.4593 -10.4593 -6.2037 -6.2037 -6.1705 -6.1705 -5.3591 -5.3591 -5.3348 -5.3348 -5.3112 -5.3112 -5.2938 -5.2938 -1.4906 -1.4906 -1.4676 -1.4676 -1.1710 -1.1710 -0.7564 -0.7564 -0.7156 -0.7156 -0.5757 -0.5757 0.0616 0.0616 0.2066 0.2066 0.4841 0.4841 1.4107 1.4107 1.5383 1.5383 1.6184 1.6184 1.7532 1.7532 1.8499 1.8499 2.0062 2.0062 2.0965 2.0965 2.1559 2.1559 2.2461 2.2461 2.2652 2.2652 2.3343 2.3343 2.4410 2.4410 4.1278 4.1278 4.1899 4.1899 9.3444 9.3444 10.0438 10.0438 10.2689 10.2689 10.2799 10.2799 10.4403 10.4403 10.8044 10.8044 k = 0.1765 0.1019 0.2882 ( 12846 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4721 -21.4721 -21.4681 -21.4681 -11.1227 -11.1227 -10.6288 -10.6288 -10.5553 -10.5553 -10.5218 -10.5218 -10.4762 -10.4762 -10.4580 -10.4580 -6.2072 -6.2072 -6.1714 -6.1714 -5.3629 -5.3629 -5.3400 -5.3400 -5.3118 -5.3118 -5.2954 -5.2954 -1.4845 -1.4845 -1.4579 -1.4579 -1.1969 -1.1969 -0.7557 -0.7557 -0.7176 -0.7176 -0.5791 -0.5791 0.0621 0.0621 0.1954 0.1954 0.4559 0.4559 1.4325 1.4325 1.5508 1.5508 1.6370 1.6370 1.7796 1.7796 1.8541 1.8541 2.0039 2.0039 2.0908 2.0908 2.1587 2.1587 2.2650 2.2650 2.2689 2.2689 2.3562 2.3562 2.4556 2.4556 4.1397 4.1397 4.2092 4.2092 9.2568 9.2568 9.9706 9.9706 10.2072 10.2072 10.2098 10.2098 10.4021 10.4021 10.7637 10.7637 k = 0.1654 0.0955 0.2702 ( 12876 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4723 -21.4723 -21.4680 -21.4680 -11.1293 -11.1293 -10.6206 -10.6206 -10.5544 -10.5544 -10.5237 -10.5237 -10.4737 -10.4737 -10.4568 -10.4568 -6.2106 -6.2106 -6.1724 -6.1724 -5.3665 -5.3665 -5.3453 -5.3453 -5.3124 -5.3124 -5.2972 -5.2972 -1.4778 -1.4778 -1.4489 -1.4489 -1.2226 -1.2226 -0.7547 -0.7547 -0.7197 -0.7197 -0.5826 -0.5826 0.0634 0.0634 0.1848 0.1848 0.4264 0.4264 1.4556 1.4556 1.5641 1.5641 1.6553 1.6553 1.8053 1.8053 1.8565 1.8565 2.0014 2.0014 2.0841 2.0841 2.1629 2.1629 2.2648 2.2648 2.2930 2.2930 2.3782 2.3782 2.4696 2.4696 4.1532 4.1532 4.2271 4.2271 9.1717 9.1717 9.8998 9.8998 10.1431 10.1431 10.1476 10.1476 10.3630 10.3630 10.7235 10.7235 k = 0.1544 0.0891 0.2522 ( 12873 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4724 -21.4724 -21.4679 -21.4679 -11.1356 -11.1356 -10.6124 -10.6124 -10.5534 -10.5534 -10.5257 -10.5257 -10.4711 -10.4711 -10.4557 -10.4557 -6.2140 -6.2140 -6.1734 -6.1734 -5.3701 -5.3701 -5.3507 -5.3507 -5.3130 -5.3130 -5.2990 -5.2990 -1.4703 -1.4703 -1.4404 -1.4404 -1.2479 -1.2479 -0.7534 -0.7534 -0.7217 -0.7217 -0.5861 -0.5861 0.0653 0.0653 0.1748 0.1748 0.3959 0.3959 1.4798 1.4798 1.5781 1.5781 1.6732 1.6732 1.8282 1.8282 1.8592 1.8592 1.9988 1.9988 2.0768 2.0768 2.1682 2.1682 2.2644 2.2644 2.3181 2.3181 2.3999 2.3999 2.4831 2.4831 4.1681 4.1681 4.2438 4.2438 9.0895 9.0895 9.8320 9.8320 10.0802 10.0802 10.0900 10.0900 10.3233 10.3233 10.6841 10.6841 k = 0.1434 0.0828 0.2341 ( 12869 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4725 -21.4725 -21.4678 -21.4678 -11.1417 -11.1417 -10.6044 -10.6044 -10.5525 -10.5525 -10.5276 -10.5276 -10.4685 -10.4685 -10.4547 -10.4547 -6.2174 -6.2174 -6.1744 -6.1744 -5.3735 -5.3735 -5.3560 -5.3560 -5.3135 -5.3135 -5.3009 -5.3009 -1.4623 -1.4623 -1.4326 -1.4326 -1.2724 -1.2724 -0.7519 -0.7519 -0.7237 -0.7237 -0.5894 -0.5894 0.0678 0.0678 0.1655 0.1655 0.3649 0.3649 1.5047 1.5047 1.5928 1.5928 1.6907 1.6907 1.8417 1.8417 1.8680 1.8680 1.9968 1.9968 2.0693 2.0693 2.1740 2.1740 2.2642 2.2642 2.3435 2.3435 2.4211 2.4211 2.4960 2.4960 4.1841 4.1841 4.2592 4.2592 9.0107 9.0107 9.7674 9.7674 10.0211 10.0211 10.0346 10.0346 10.2835 10.2835 10.6460 10.6460 k = 0.1324 0.0764 0.2161 ( 12885 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4727 -21.4727 -21.4677 -21.4677 -11.1475 -11.1475 -10.5967 -10.5967 -10.5515 -10.5515 -10.5295 -10.5295 -10.4660 -10.4660 -10.4538 -10.4538 -6.2207 -6.2207 -6.1754 -6.1754 -5.3767 -5.3767 -5.3612 -5.3612 -5.3141 -5.3141 -5.3028 -5.3028 -1.4539 -1.4539 -1.4255 -1.4255 -1.2960 -1.2960 -0.7502 -0.7502 -0.7256 -0.7256 -0.5926 -0.5926 0.0707 0.0707 0.1568 0.1568 0.3339 0.3339 1.5299 1.5299 1.6082 1.6082 1.7075 1.7075 1.8443 1.8443 1.8832 1.8832 1.9960 1.9960 2.0622 2.0622 2.1802 2.1802 2.2640 2.2640 2.3685 2.3685 2.4418 2.4418 2.5081 2.5081 4.2011 4.2011 4.2732 4.2732 8.9355 8.9355 9.7064 9.7064 9.9659 9.9659 9.9817 9.9817 10.2439 10.2439 10.6095 10.6095 k = 0.1213 0.0700 0.1981 ( 12891 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4728 -21.4728 -21.4676 -21.4676 -11.1529 -11.1529 -10.5894 -10.5894 -10.5506 -10.5506 -10.5314 -10.5314 -10.4635 -10.4635 -10.4529 -10.4529 -6.2238 -6.2238 -6.1764 -6.1764 -5.3798 -5.3798 -5.3662 -5.3662 -5.3146 -5.3146 -5.3047 -5.3047 -1.4452 -1.4452 -1.4191 -1.4191 -1.3184 -1.3184 -0.7485 -0.7485 -0.7274 -0.7274 -0.5955 -0.5955 0.0739 0.0739 0.1488 0.1488 0.3034 0.3034 1.5551 1.5551 1.6242 1.6242 1.7237 1.7237 1.8432 1.8432 1.8960 1.8960 1.9968 1.9968 2.0566 2.0566 2.1868 2.1868 2.2640 2.2640 2.3925 2.3925 2.4617 2.4617 2.5196 2.5196 4.2186 4.2186 4.2859 4.2859 8.8645 8.8645 9.6492 9.6492 9.9147 9.9147 9.9315 9.9315 10.2051 10.2051 10.5748 10.5748 k = 0.1103 0.0637 0.1801 ( 12883 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4729 -21.4729 -21.4675 -21.4675 -11.1580 -11.1580 -10.5826 -10.5826 -10.5497 -10.5497 -10.5330 -10.5330 -10.4612 -10.4612 -10.4522 -10.4522 -6.2268 -6.2268 -6.1774 -6.1774 -5.3826 -5.3826 -5.3710 -5.3710 -5.3151 -5.3151 -5.3066 -5.3066 -1.4363 -1.4363 -1.4135 -1.4135 -1.3392 -1.3392 -0.7468 -0.7468 -0.7290 -0.7290 -0.5982 -0.5982 0.0773 0.0773 0.1415 0.1415 0.2738 0.2738 1.5801 1.5801 1.6407 1.6407 1.7390 1.7390 1.8412 1.8412 1.9025 1.9025 1.9983 1.9983 2.0544 2.0544 2.1938 2.1938 2.2642 2.2642 2.4149 2.4149 2.4808 2.4808 2.5303 2.5303 4.2364 4.2364 4.2973 4.2973 8.7979 8.7979 9.5961 9.5961 9.8676 9.8676 9.8842 9.8842 10.1674 10.1674 10.5422 10.5422 k = 0.0993 0.0573 0.1621 ( 12885 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4730 -21.4730 -21.4674 -21.4674 -11.1627 -11.1627 -10.5763 -10.5763 -10.5488 -10.5488 -10.5345 -10.5345 -10.4590 -10.4590 -10.4516 -10.4516 -6.2296 -6.2296 -6.1783 -6.1783 -5.3853 -5.3853 -5.3756 -5.3756 -5.3156 -5.3156 -5.3085 -5.3085 -1.4276 -1.4276 -1.4091 -1.4091 -1.3580 -1.3580 -0.7451 -0.7451 -0.7305 -0.7305 -0.6005 -0.6005 0.0806 0.0806 0.1349 0.1349 0.2455 0.2455 1.6047 1.6047 1.6577 1.6577 1.7534 1.7534 1.8391 1.8391 1.9027 1.9027 1.9973 1.9973 2.0577 2.0577 2.2015 2.2015 2.2645 2.2645 2.4355 2.4355 2.4990 2.4990 2.5403 2.5403 4.2540 4.2540 4.3075 4.3075 8.7361 8.7361 9.5473 9.5473 9.8247 9.8247 9.8403 9.8403 10.1313 10.1313 10.5119 10.5119 k = 0.0882 0.0509 0.1441 ( 12901 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4731 -21.4731 -21.4674 -21.4674 -11.1670 -11.1670 -10.5706 -10.5706 -10.5479 -10.5479 -10.5358 -10.5358 -10.4570 -10.4570 -10.4510 -10.4510 -6.2322 -6.2322 -6.1792 -6.1792 -5.3877 -5.3877 -5.3798 -5.3798 -5.3160 -5.3160 -5.3102 -5.3102 -1.4191 -1.4191 -1.4068 -1.4068 -1.3737 -1.3737 -0.7435 -0.7435 -0.7319 -0.7319 -0.6026 -0.6026 0.0838 0.0838 0.1291 0.1291 0.2190 0.2190 1.6285 1.6285 1.6751 1.6751 1.7666 1.7666 1.8372 1.8372 1.8979 1.8979 1.9922 1.9922 2.0660 2.0660 2.2100 2.2100 2.2648 2.2648 2.4538 2.4538 2.5160 2.5160 2.5495 2.5495 4.2711 4.2711 4.3165 4.3165 8.6796 8.6796 9.5030 9.5030 9.7862 9.7862 9.8000 9.8000 10.0973 10.0973 10.4839 10.4839 k = 0.0772 0.0446 0.1261 ( 12889 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4732 -21.4732 -21.4673 -21.4673 -11.1709 -11.1709 -10.5657 -10.5657 -10.5469 -10.5469 -10.5369 -10.5369 -10.4551 -10.4551 -10.4505 -10.4505 -6.2345 -6.2345 -6.1800 -6.1800 -5.3898 -5.3898 -5.3837 -5.3837 -5.3164 -5.3164 -5.3119 -5.3119 -1.4110 -1.4110 -1.4091 -1.4091 -1.3835 -1.3835 -0.7420 -0.7420 -0.7331 -0.7331 -0.6043 -0.6043 0.0866 0.0866 0.1242 0.1242 0.1947 0.1947 1.6514 1.6514 1.6926 1.6926 1.7783 1.7783 1.8360 1.8360 1.8897 1.8897 1.9841 1.9841 2.0763 2.0763 2.2192 2.2192 2.2653 2.2653 2.4698 2.4698 2.5318 2.5318 2.5579 2.5579 4.2874 4.2874 4.3243 4.3243 8.6287 8.6287 9.4635 9.4635 9.7519 9.7519 9.7636 9.7636 10.0658 10.0658 10.4584 10.4584 k = 0.0662 0.0382 0.1081 ( 12903 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4732 -21.4732 -21.4673 -21.4673 -11.1742 -11.1742 -10.5617 -10.5617 -10.5458 -10.5458 -10.5378 -10.5378 -10.4535 -10.4535 -10.4501 -10.4501 -6.2366 -6.2366 -6.1807 -6.1807 -5.3917 -5.3917 -5.3871 -5.3871 -5.3167 -5.3167 -5.3133 -5.3133 -1.4177 -1.4177 -1.4034 -1.4034 -1.3859 -1.3859 -0.7407 -0.7407 -0.7341 -0.7341 -0.6058 -0.6058 0.0887 0.0887 0.1202 0.1202 0.1730 0.1730 1.6733 1.6733 1.7099 1.7099 1.7881 1.7881 1.8360 1.8360 1.8792 1.8792 1.9742 1.9742 2.0862 2.0862 2.2289 2.2289 2.2658 2.2658 2.4834 2.4834 2.5460 2.5460 2.5655 2.5655 4.3023 4.3023 4.3309 4.3309 8.5838 8.5838 9.4288 9.4288 9.7221 9.7221 9.7314 9.7314 10.0374 10.0374 10.4352 10.4352 k = 0.0551 0.0318 0.0901 ( 12887 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4733 -21.4733 -21.4672 -21.4672 -11.1771 -11.1771 -10.5587 -10.5587 -10.5445 -10.5445 -10.5384 -10.5384 -10.4522 -10.4522 -10.4497 -10.4497 -6.2384 -6.2384 -6.1814 -6.1814 -5.3934 -5.3934 -5.3901 -5.3901 -5.3170 -5.3170 -5.3146 -5.3146 -1.4279 -1.4279 -1.3966 -1.3966 -1.3851 -1.3851 -0.7395 -0.7395 -0.7350 -0.7350 -0.6069 -0.6069 0.0899 0.0899 0.1172 0.1172 0.1543 0.1543 1.6943 1.6943 1.7267 1.7267 1.7955 1.7955 1.8376 1.8376 1.8671 1.8671 1.9632 1.9632 2.0948 2.0948 2.2388 2.2388 2.2663 2.2663 2.4947 2.4947 2.5584 2.5584 2.5721 2.5721 4.3157 4.3157 4.3364 4.3364 8.5452 8.5452 9.3992 9.3992 9.6968 9.6968 9.7036 9.7036 10.0125 10.0125 10.4142 10.4142 k = 0.0441 0.0255 0.0720 ( 12863 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4734 -21.4734 -21.4672 -21.4672 -11.1795 -11.1795 -10.5566 -10.5566 -10.5431 -10.5431 -10.5389 -10.5389 -10.4510 -10.4510 -10.4494 -10.4494 -6.2400 -6.2400 -6.1819 -6.1819 -5.3947 -5.3947 -5.3926 -5.3926 -5.3173 -5.3173 -5.3157 -5.3157 -1.4373 -1.4373 -1.3908 -1.3908 -1.3835 -1.3835 -0.7386 -0.7386 -0.7357 -0.7357 -0.6078 -0.6078 0.0900 0.0900 0.1154 0.1154 0.1391 0.1391 1.7143 1.7143 1.7422 1.7422 1.8001 1.8001 1.8412 1.8412 1.8539 1.8539 1.9518 1.9518 2.1014 2.1014 2.2480 2.2480 2.2667 2.2667 2.5037 2.5037 2.5689 2.5689 2.5777 2.5777 4.3271 4.3271 4.3408 4.3408 8.5132 8.5132 9.3747 9.3747 9.6760 9.6760 9.6806 9.6806 9.9915 9.9915 10.3956 10.3956 k = 0.0331 0.0191 0.0540 ( 12885 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4734 -21.4734 -21.4671 -21.4671 -11.1813 -11.1813 -10.5554 -10.5554 -10.5417 -10.5417 -10.5392 -10.5392 -10.4501 -10.4501 -10.4492 -10.4492 -6.2412 -6.2412 -6.1824 -6.1824 -5.3958 -5.3958 -5.3946 -5.3946 -5.3174 -5.3174 -5.3166 -5.3166 -1.4450 -1.4450 -1.3861 -1.3861 -1.3820 -1.3820 -0.7378 -0.7378 -0.7362 -0.7362 -0.6085 -0.6085 0.0890 0.0890 0.1145 0.1145 0.1275 0.1275 1.7334 1.7334 1.7559 1.7559 1.8022 1.8022 1.8389 1.8389 1.8476 1.8476 1.9406 1.9406 2.1063 2.1063 2.2561 2.2561 2.2671 2.2671 2.5106 2.5106 2.5772 2.5772 2.5822 2.5822 4.3363 4.3363 4.3442 4.3442 8.4880 8.4880 9.3556 9.3556 9.6598 9.6598 9.6625 9.6625 9.9748 9.9748 10.3798 10.3798 k = 0.0221 0.0127 0.0360 ( 12879 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4734 -21.4734 -21.4671 -21.4671 -11.1827 -11.1827 -10.5546 -10.5546 -10.5405 -10.5405 -10.5393 -10.5393 -10.4495 -10.4495 -10.4491 -10.4491 -6.2420 -6.2420 -6.1827 -6.1827 -5.3965 -5.3965 -5.3960 -5.3960 -5.3176 -5.3176 -5.3172 -5.3172 -1.4506 -1.4506 -1.3827 -1.3827 -1.3809 -1.3809 -0.7373 -0.7373 -0.7366 -0.7366 -0.6089 -0.6089 0.0873 0.0873 0.1142 0.1142 0.1198 0.1198 1.7515 1.7515 1.7670 1.7670 1.8024 1.8024 1.8244 1.8244 1.8536 1.8536 1.9303 1.9303 2.1095 2.1095 2.2623 2.2623 2.2673 2.2673 2.5154 2.5154 2.5833 2.5833 2.5855 2.5855 4.3431 4.3431 4.3466 4.3466 8.4699 8.4699 9.3419 9.3419 9.6483 9.6483 9.6495 9.6495 9.9626 9.9626 10.3676 10.3676 k = 0.0110 0.0064 0.0180 ( 12927 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4734 -21.4734 -21.4671 -21.4671 -11.1835 -11.1835 -10.5543 -10.5543 -10.5397 -10.5397 -10.5394 -10.5394 -10.4491 -10.4491 -10.4490 -10.4490 -6.2425 -6.2425 -6.1829 -6.1829 -5.3970 -5.3970 -5.3969 -5.3969 -5.3177 -5.3177 -5.3176 -5.3176 -1.4540 -1.4540 -1.3807 -1.3807 -1.3802 -1.3802 -0.7370 -0.7370 -0.7369 -0.7369 -0.6092 -0.6092 0.0857 0.0857 0.1142 0.1142 0.1155 0.1155 1.7679 1.7679 1.7744 1.7744 1.8018 1.8018 1.8099 1.8099 1.8590 1.8590 1.9225 1.9225 2.1114 2.1114 2.2662 2.2662 2.2675 2.2675 2.5183 2.5183 2.5869 2.5869 2.5875 2.5875 4.3472 4.3472 4.3481 4.3481 8.4589 8.4589 9.3336 9.3336 9.6413 9.6413 9.6416 9.6416 9.9552 9.9552 10.3598 10.3598 k = 0.0000 0.0000 0.0000 ( 12939 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4734 -21.4734 -21.4671 -21.4671 -11.1837 -11.1837 -10.5542 -10.5542 -10.5394 -10.5394 -10.5394 -10.5394 -10.4489 -10.4489 -10.4489 -10.4489 -6.2427 -6.2427 -6.1829 -6.1829 -5.3971 -5.3971 -5.3971 -5.3971 -5.3177 -5.3177 -5.3177 -5.3177 -1.4551 -1.4551 -1.3799 -1.3799 -1.3799 -1.3799 -0.7370 -0.7370 -0.7370 -0.7370 -0.6093 -0.6093 0.0850 0.0850 0.1142 0.1142 0.1142 0.1142 1.7771 1.7771 1.7771 1.7771 1.8013 1.8013 1.8013 1.8013 1.8613 1.8613 1.9195 1.9195 2.1120 2.1120 2.2676 2.2676 2.2676 2.2676 2.5192 2.5192 2.5881 2.5881 2.5881 2.5881 4.3485 4.3485 4.3485 4.3485 8.4553 8.4553 9.3308 9.3308 9.6390 9.6390 9.6390 9.6390 9.9527 9.9527 10.3572 10.3572 k = 0.0000 0.0000 0.0000 ( 12939 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4734 -21.4734 -21.4671 -21.4671 -11.1837 -11.1837 -10.5542 -10.5542 -10.5394 -10.5394 -10.5394 -10.5394 -10.4489 -10.4489 -10.4489 -10.4489 -6.2427 -6.2427 -6.1829 -6.1829 -5.3971 -5.3971 -5.3971 -5.3971 -5.3177 -5.3177 -5.3177 -5.3177 -1.4551 -1.4551 -1.3799 -1.3799 -1.3799 -1.3799 -0.7370 -0.7370 -0.7370 -0.7370 -0.6093 -0.6093 0.0850 0.0850 0.1142 0.1142 0.1142 0.1142 1.7771 1.7771 1.7771 1.7771 1.8013 1.8013 1.8013 1.8013 1.8613 1.8613 1.9195 1.9195 2.1120 2.1120 2.2676 2.2676 2.2676 2.2676 2.5192 2.5192 2.5881 2.5881 2.5881 2.5881 4.3485 4.3485 4.3485 4.3485 8.4553 8.4553 9.3308 9.3308 9.6390 9.6390 9.6390 9.6390 9.9527 9.9527 10.3572 10.3572 k = 0.0179 0.0103 0.0073 ( 12927 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4734 -21.4734 -21.4671 -21.4671 -11.1835 -11.1835 -10.5543 -10.5543 -10.5397 -10.5397 -10.5394 -10.5394 -10.4490 -10.4490 -10.4490 -10.4490 -6.2426 -6.2426 -6.1829 -6.1829 -5.3970 -5.3970 -5.3969 -5.3969 -5.3177 -5.3177 -5.3176 -5.3176 -1.4540 -1.4540 -1.3804 -1.3804 -1.3804 -1.3804 -0.7370 -0.7370 -0.7369 -0.7369 -0.6092 -0.6092 0.0856 0.0856 0.1141 0.1141 0.1156 0.1156 1.7680 1.7680 1.7744 1.7744 1.8018 1.8018 1.8098 1.8098 1.8591 1.8591 1.9225 1.9225 2.1114 2.1114 2.2664 2.2664 2.2674 2.2674 2.5183 2.5183 2.5870 2.5870 2.5874 2.5874 4.3476 4.3476 4.3476 4.3476 8.4588 8.4588 9.3335 9.3335 9.6414 9.6414 9.6414 9.6414 9.9551 9.9551 10.3598 10.3598 k = 0.0357 0.0206 0.0146 ( 12870 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4734 -21.4734 -21.4671 -21.4671 -11.1827 -11.1827 -10.5546 -10.5546 -10.5405 -10.5405 -10.5393 -10.5393 -10.4493 -10.4493 -10.4492 -10.4492 -6.2420 -6.2420 -6.1827 -6.1827 -5.3966 -5.3966 -5.3960 -5.3960 -5.3176 -5.3176 -5.3172 -5.3172 -1.4507 -1.4507 -1.3818 -1.3818 -1.3817 -1.3817 -0.7372 -0.7372 -0.7367 -0.7367 -0.6089 -0.6089 0.0870 0.0870 0.1144 0.1144 0.1197 0.1197 1.7518 1.7518 1.7669 1.7669 1.8026 1.8026 1.8240 1.8240 1.8538 1.8538 1.9301 1.9301 2.1096 2.1096 2.2629 2.2629 2.2669 2.2669 2.5155 2.5155 2.5837 2.5837 2.5851 2.5851 4.3449 4.3449 4.3450 4.3450 8.4696 8.4696 9.3417 9.3417 9.6487 9.6487 9.6487 9.6487 9.9624 9.9624 10.3673 10.3673 k = 0.0536 0.0309 0.0219 ( 12879 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4734 -21.4734 -21.4671 -21.4671 -11.1814 -11.1814 -10.5554 -10.5554 -10.5417 -10.5417 -10.5390 -10.5390 -10.4497 -10.4497 -10.4496 -10.4496 -6.2412 -6.2412 -6.1824 -6.1824 -5.3959 -5.3959 -5.3945 -5.3945 -5.3175 -5.3175 -5.3165 -5.3165 -1.4451 -1.4451 -1.3842 -1.3842 -1.3839 -1.3839 -0.7377 -0.7377 -0.7364 -0.7364 -0.6085 -0.6085 0.0876 0.0876 0.1166 0.1166 0.1265 0.1265 1.7340 1.7340 1.7556 1.7556 1.8023 1.8023 1.8387 1.8387 1.8480 1.8480 1.9402 1.9402 2.1064 2.1064 2.2573 2.2573 2.2660 2.2660 2.5108 2.5108 2.5782 2.5782 2.5814 2.5814 4.3403 4.3403 4.3405 4.3405 8.4874 8.4874 9.3552 9.3552 9.6608 9.6608 9.6608 9.6608 9.9743 9.9743 10.3789 10.3789 k = 0.0714 0.0412 0.0292 ( 12879 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4734 -21.4734 -21.4672 -21.4672 -11.1795 -11.1795 -10.5569 -10.5569 -10.5429 -10.5429 -10.5387 -10.5387 -10.4503 -10.4503 -10.4501 -10.4501 -6.2400 -6.2400 -6.1819 -6.1819 -5.3949 -5.3949 -5.3925 -5.3925 -5.3174 -5.3174 -5.3156 -5.3156 -1.4373 -1.4373 -1.3875 -1.3875 -1.3869 -1.3869 -0.7382 -0.7382 -0.7360 -0.7360 -0.6078 -0.6078 0.0854 0.0854 0.1225 0.1225 0.1360 0.1360 1.7153 1.7153 1.7413 1.7413 1.7996 1.7996 1.8437 1.8437 1.8530 1.8530 1.9513 1.9513 2.1018 2.1018 2.2500 2.2500 2.2648 2.2648 2.5043 2.5043 2.5705 2.5705 2.5763 2.5763 4.3341 4.3341 4.3345 4.3345 8.5121 8.5121 9.3740 9.3740 9.6776 9.6776 9.6776 9.6776 9.9906 9.9906 10.3933 10.3933 k = 0.0893 0.0515 0.0365 ( 12882 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4733 -21.4733 -21.4672 -21.4672 -11.1772 -11.1772 -10.5593 -10.5593 -10.5439 -10.5439 -10.5383 -10.5383 -10.4511 -10.4511 -10.4507 -10.4507 -6.2385 -6.2385 -6.1814 -6.1814 -5.3936 -5.3936 -5.3900 -5.3900 -5.3172 -5.3172 -5.3145 -5.3145 -1.4275 -1.4275 -1.3916 -1.3916 -1.3907 -1.3907 -0.7390 -0.7390 -0.7354 -0.7354 -0.6070 -0.6070 0.0804 0.0804 0.1324 0.1324 0.1479 0.1479 1.6961 1.6961 1.7246 1.7246 1.7932 1.7932 1.8422 1.8422 1.8668 1.8668 1.9625 1.9625 2.0956 2.0956 2.2417 2.2417 2.2633 2.2633 2.4959 2.4959 2.5606 2.5606 2.5698 2.5698 4.3263 4.3263 4.3268 4.3268 8.5436 8.5436 9.3979 9.3979 9.6991 9.6991 9.6991 9.6991 10.0108 10.0108 10.4099 10.4099 k = 0.1071 0.0619 0.0437 ( 12900 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4733 -21.4733 -21.4673 -21.4673 -11.1744 -11.1744 -10.5629 -10.5629 -10.5444 -10.5444 -10.5379 -10.5379 -10.4520 -10.4520 -10.4515 -10.4515 -6.2367 -6.2367 -6.1808 -6.1808 -5.3921 -5.3921 -5.3870 -5.3870 -5.3170 -5.3170 -5.3132 -5.3132 -1.4156 -1.4156 -1.3964 -1.3964 -1.3952 -1.3952 -0.7399 -0.7399 -0.7348 -0.7348 -0.6059 -0.6059 0.0729 0.0729 0.1456 0.1456 0.1623 0.1623 1.6765 1.6765 1.7061 1.7061 1.7829 1.7829 1.8437 1.8437 1.8799 1.8799 1.9734 1.9734 2.0876 2.0876 2.2329 2.2329 2.2614 2.2614 2.4855 2.4855 2.5488 2.5488 2.5622 2.5622 4.3171 4.3171 4.3178 4.3178 8.5814 8.5814 9.4269 9.4269 9.7251 9.7251 9.7251 9.7251 10.0344 10.0344 10.4288 10.4288 k = 0.1250 0.0722 0.0510 ( 12903 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4732 -21.4732 -21.4673 -21.4673 -11.1711 -11.1711 -10.5676 -10.5676 -10.5444 -10.5444 -10.5373 -10.5373 -10.4531 -10.4531 -10.4523 -10.4523 -6.2347 -6.2347 -6.1801 -6.1801 -5.3904 -5.3904 -5.3835 -5.3835 -5.3168 -5.3168 -5.3116 -5.3116 -1.4031 -1.4031 -1.4005 -1.4005 -1.4003 -1.4003 -0.7409 -0.7409 -0.7340 -0.7340 -0.6045 -0.6045 0.0635 0.0635 0.1616 0.1616 0.1788 0.1788 1.6565 1.6565 1.6862 1.6862 1.7690 1.7690 1.8474 1.8474 1.8924 1.8924 1.9836 1.9836 2.0779 2.0779 2.2241 2.2241 2.2591 2.2591 2.4733 2.4733 2.5349 2.5349 2.5534 2.5534 4.3066 4.3066 4.3075 4.3075 8.6254 8.6254 9.4608 9.4608 9.7554 9.7554 9.7555 9.7555 10.0607 10.0607 10.4509 10.4509 k = 0.1429 0.0825 0.0583 ( 12876 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4731 -21.4731 -21.4674 -21.4674 -11.1673 -11.1673 -10.5733 -10.5733 -10.5441 -10.5441 -10.5366 -10.5366 -10.4543 -10.4543 -10.4533 -10.4533 -6.2324 -6.2324 -6.1793 -6.1793 -5.3884 -5.3884 -5.3795 -5.3795 -5.3166 -5.3166 -5.3099 -5.3099 -1.4081 -1.4081 -1.4059 -1.4059 -1.3858 -1.3858 -0.7419 -0.7419 -0.7329 -0.7329 -0.6028 -0.6028 0.0526 0.0526 0.1799 0.1799 0.1974 0.1974 1.6365 1.6365 1.6653 1.6653 1.7520 1.7520 1.8528 1.8528 1.9044 1.9044 1.9928 1.9928 2.0668 2.0668 2.2159 2.2159 2.2565 2.2565 2.4592 2.4592 2.5191 2.5191 2.5435 2.5435 4.2950 4.2950 4.2963 4.2963 8.6751 8.6751 9.4994 9.4994 9.7899 9.7899 9.7901 9.7901 10.0889 10.0889 10.4767 10.4767 k = 0.1607 0.0928 0.0656 ( 12894 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4730 -21.4730 -21.4674 -21.4674 -11.1631 -11.1631 -10.5798 -10.5798 -10.5435 -10.5435 -10.5359 -10.5359 -10.4557 -10.4557 -10.4544 -10.4544 -6.2298 -6.2298 -6.1785 -6.1785 -5.3862 -5.3862 -5.3752 -5.3752 -5.3164 -5.3164 -5.3080 -5.3080 -1.4147 -1.4147 -1.4121 -1.4121 -1.3685 -1.3685 -0.7430 -0.7430 -0.7318 -0.7318 -0.6008 -0.6008 0.0404 0.0404 0.2002 0.2002 0.2178 0.2178 1.6164 1.6164 1.6437 1.6437 1.7318 1.7318 1.8595 1.8595 1.9157 1.9157 2.0003 2.0003 2.0554 2.0554 2.2084 2.2084 2.2535 2.2535 2.4433 2.4433 2.5015 2.5015 2.5327 2.5327 4.2825 4.2825 4.2841 4.2841 8.7302 8.7302 9.5423 9.5423 9.8284 9.8284 9.8286 9.8286 10.1179 10.1179 10.5071 10.5071 k = 0.1786 0.1031 0.0729 ( 12882 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4729 -21.4729 -21.4675 -21.4675 -11.1585 -11.1585 -10.5870 -10.5870 -10.5427 -10.5427 -10.5351 -10.5351 -10.4572 -10.4572 -10.4557 -10.4557 -6.2271 -6.2271 -6.1776 -6.1776 -5.3839 -5.3839 -5.3705 -5.3705 -5.3163 -5.3163 -5.3060 -5.3060 -1.4215 -1.4215 -1.4185 -1.4185 -1.3496 -1.3496 -0.7441 -0.7441 -0.7305 -0.7305 -0.5986 -0.5986 0.0270 0.0270 0.2223 0.2223 0.2398 0.2398 1.5964 1.5964 1.6217 1.6217 1.7087 1.7087 1.8672 1.8672 1.9264 1.9264 2.0043 2.0043 2.0459 2.0459 2.2017 2.2017 2.2502 2.2502 2.4257 2.4257 2.4823 2.4823 2.5211 2.5211 4.2694 4.2694 4.2712 4.2712 8.7902 8.7902 9.5895 9.5895 9.8706 9.8706 9.8710 9.8710 10.1470 10.1470 10.5424 10.5424 k = 0.1964 0.1134 0.0802 ( 12882 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4728 -21.4728 -21.4676 -21.4676 -11.1534 -11.1534 -10.5948 -10.5948 -10.5418 -10.5418 -10.5342 -10.5342 -10.4589 -10.4589 -10.4570 -10.4570 -6.2242 -6.2242 -6.1767 -6.1767 -5.3813 -5.3813 -5.3655 -5.3655 -5.3161 -5.3161 -5.3039 -5.3039 -1.4287 -1.4287 -1.4252 -1.4252 -1.3293 -1.3293 -0.7450 -0.7450 -0.7291 -0.7291 -0.5960 -0.5960 0.0126 0.0126 0.2459 0.2459 0.2632 0.2632 1.5766 1.5766 1.5993 1.5993 1.6828 1.6828 1.8758 1.8758 1.9366 1.9366 2.0016 2.0016 2.0419 2.0419 2.1957 2.1957 2.2465 2.2465 2.4066 2.4066 2.4616 2.4616 2.5087 2.5087 4.2558 4.2558 4.2579 4.2579 8.8547 8.8547 9.6406 9.6406 9.9163 9.9163 9.9168 9.9168 10.1750 10.1750 10.5829 10.5829 k = 0.2143 0.1237 0.0875 ( 12891 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4727 -21.4727 -21.4677 -21.4677 -11.1481 -11.1481 -10.6032 -10.6032 -10.5406 -10.5406 -10.5333 -10.5333 -10.4607 -10.4607 -10.4584 -10.4584 -6.2212 -6.2212 -6.1758 -6.1758 -5.3786 -5.3786 -5.3603 -5.3603 -5.3160 -5.3160 -5.3017 -5.3017 -1.4360 -1.4360 -1.4321 -1.4321 -1.3079 -1.3079 -0.7458 -0.7458 -0.7275 -0.7275 -0.5932 -0.5932 -0.0027 -0.0027 0.2707 0.2707 0.2877 0.2877 1.5573 1.5573 1.5769 1.5769 1.6543 1.6543 1.8853 1.8853 1.9463 1.9463 1.9922 1.9922 2.0441 2.0441 2.1902 2.1902 2.2424 2.2424 2.3862 2.3862 2.4397 2.4397 2.4956 2.4956 4.2419 4.2419 4.2443 4.2443 8.9232 8.9232 9.6953 9.6953 9.9654 9.9654 9.9660 9.9660 10.2013 10.2013 10.6287 10.6287 k = 0.2321 0.1340 0.0948 ( 12885 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4725 -21.4725 -21.4678 -21.4678 -11.1424 -11.1424 -10.6119 -10.6119 -10.5394 -10.5394 -10.5323 -10.5323 -10.4625 -10.4625 -10.4599 -10.4599 -6.2180 -6.2180 -6.1749 -6.1749 -5.3758 -5.3758 -5.3549 -5.3549 -5.3160 -5.3160 -5.2996 -5.2996 -1.4434 -1.4434 -1.4391 -1.4391 -1.2857 -1.2857 -0.7462 -0.7462 -0.7258 -0.7258 -0.5901 -0.5901 -0.0186 -0.0186 0.2965 0.2965 0.3131 0.3131 1.5385 1.5385 1.5543 1.5543 1.6238 1.6238 1.8954 1.8954 1.9555 1.9555 1.9799 1.9799 2.0492 2.0492 2.1851 2.1851 2.2380 2.2380 2.3646 2.3646 2.4166 2.4166 2.4819 2.4819 4.2280 4.2280 4.2307 4.2307 8.9952 8.9952 9.7534 9.7534 10.0174 10.0174 10.0183 10.0183 10.2253 10.2253 10.6794 10.6794 k = 0.2500 0.1443 0.1021 ( 12864 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4724 -21.4724 -21.4679 -21.4679 -11.1365 -11.1365 -10.6210 -10.6210 -10.5380 -10.5380 -10.5312 -10.5312 -10.4645 -10.4645 -10.4614 -10.4614 -6.2148 -6.2148 -6.1740 -6.1740 -5.3728 -5.3728 -5.3494 -5.3494 -5.3160 -5.3160 -5.2974 -5.2974 -1.4507 -1.4507 -1.4460 -1.4460 -1.2629 -1.2629 -0.7461 -0.7461 -0.7240 -0.7240 -0.5868 -0.5868 -0.0352 -0.0352 0.3229 0.3229 0.3391 0.3391 1.5203 1.5203 1.5313 1.5313 1.5921 1.5921 1.9060 1.9060 1.9642 1.9642 1.9669 1.9669 2.0553 2.0553 2.1800 2.1800 2.2331 2.2331 2.3422 2.3422 2.3928 2.3928 2.4676 2.4676 4.2142 4.2142 4.2171 4.2171 9.0701 9.0701 9.8144 9.8144 10.0722 10.0722 10.0733 10.0733 10.2466 10.2466 10.7341 10.7341 k = 0.2679 0.1546 0.1094 ( 12873 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4723 -21.4723 -21.4680 -21.4680 -11.1303 -11.1303 -10.6303 -10.6303 -10.5366 -10.5366 -10.5301 -10.5301 -10.4665 -10.4665 -10.4630 -10.4630 -6.2115 -6.2115 -6.1732 -6.1732 -5.3698 -5.3698 -5.3438 -5.3438 -5.3161 -5.3161 -5.2953 -5.2953 -1.4579 -1.4579 -1.4529 -1.4529 -1.2398 -1.2398 -0.7455 -0.7455 -0.7221 -0.7221 -0.5833 -0.5833 -0.0522 -0.0522 0.3497 0.3497 0.3654 0.3654 1.5030 1.5030 1.5075 1.5075 1.5604 1.5604 1.9170 1.9170 1.9545 1.9545 1.9724 1.9724 2.0616 2.0616 2.1748 2.1748 2.2278 2.2278 2.3194 2.3194 2.3686 2.3686 2.4529 2.4529 4.2006 4.2006 4.2038 4.2038 9.1474 9.1474 9.8781 9.8781 10.1295 10.1295 10.1309 10.1309 10.2649 10.2649 10.7918 10.7918 k = 0.2857 0.1650 0.1166 ( 12861 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4721 -21.4721 -21.4682 -21.4682 -11.1240 -11.1240 -10.6397 -10.6397 -10.5351 -10.5351 -10.5290 -10.5290 -10.4686 -10.4686 -10.4646 -10.4646 -6.2082 -6.2082 -6.1725 -6.1725 -5.3667 -5.3667 -5.3383 -5.3383 -5.3164 -5.3164 -5.2932 -5.2932 -1.4649 -1.4649 -1.4596 -1.4596 -1.2168 -1.2168 -0.7442 -0.7442 -0.7202 -0.7202 -0.5795 -0.5795 -0.0695 -0.0695 0.3767 0.3767 0.3917 0.3917 1.4817 1.4817 1.4866 1.4866 1.5307 1.5307 1.9270 1.9270 1.9442 1.9442 1.9802 1.9802 2.0679 2.0679 2.1692 2.1692 2.2220 2.2220 2.2965 2.2965 2.3443 2.3443 2.4379 2.4379 4.1875 4.1875 4.1910 4.1910 9.2265 9.2265 9.9438 9.9438 10.1890 10.1890 10.1907 10.1907 10.2802 10.2802 10.8508 10.8508 k = 0.3036 0.1753 0.1239 ( 12864 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4720 -21.4720 -21.4683 -21.4683 -11.1177 -11.1177 -10.6491 -10.6491 -10.5334 -10.5334 -10.5278 -10.5278 -10.4708 -10.4708 -10.4663 -10.4663 -6.2049 -6.2049 -6.1719 -6.1719 -5.3636 -5.3636 -5.3327 -5.3327 -5.3167 -5.3167 -5.2913 -5.2913 -1.4717 -1.4717 -1.4660 -1.4660 -1.1943 -1.1943 -0.7420 -0.7420 -0.7183 -0.7183 -0.5757 -0.5757 -0.0869 -0.0869 0.4033 0.4033 0.4176 0.4176 1.4529 1.4529 1.4714 1.4714 1.5046 1.5046 1.9265 1.9265 1.9455 1.9455 1.9875 1.9875 2.0741 2.0741 2.1630 2.1630 2.2154 2.2154 2.2740 2.2740 2.3205 2.3205 2.4226 2.4226 4.1750 4.1750 4.1787 4.1787 9.3068 9.3068 10.0112 10.0112 10.2503 10.2503 10.2524 10.2524 10.2925 10.2925 10.9092 10.9092 k = 0.3214 0.1856 0.1312 ( 12879 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4718 -21.4718 -21.4684 -21.4684 -11.1113 -11.1113 -10.6584 -10.6584 -10.5318 -10.5318 -10.5266 -10.5266 -10.4730 -10.4730 -10.4679 -10.4679 -6.2016 -6.2016 -6.1714 -6.1714 -5.3604 -5.3604 -5.3273 -5.3273 -5.3171 -5.3171 -5.2896 -5.2896 -1.4780 -1.4780 -1.4721 -1.4721 -1.1726 -1.1726 -0.7389 -0.7389 -0.7164 -0.7164 -0.5718 -0.5718 -0.1043 -0.1043 0.4294 0.4294 0.4429 0.4429 1.4215 1.4215 1.4574 1.4574 1.4829 1.4829 1.9174 1.9174 1.9566 1.9566 1.9944 1.9944 2.0802 2.0802 2.1558 2.1558 2.2081 2.2081 2.2526 2.2526 2.2977 2.2977 2.4072 2.4072 4.1632 4.1632 4.1671 4.1671 9.3877 9.3877 10.0795 10.0795 10.3019 10.3019 10.3133 10.3133 10.3159 10.3159 10.9648 10.9648 k = 0.3393 0.1959 0.1385 ( 12878 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4716 -21.4716 -21.4686 -21.4686 -11.1050 -11.1050 -10.6674 -10.6674 -10.5301 -10.5301 -10.5254 -10.5254 -10.4752 -10.4752 -10.4695 -10.4695 -6.1985 -6.1985 -6.1710 -6.1710 -5.3573 -5.3573 -5.3220 -5.3220 -5.3177 -5.3177 -5.2880 -5.2880 -1.4840 -1.4840 -1.4777 -1.4777 -1.1522 -1.1522 -0.7347 -0.7347 -0.7145 -0.7145 -0.5678 -0.5678 -0.1216 -0.1216 0.4545 0.4545 0.4672 0.4672 1.3889 1.3889 1.4447 1.4447 1.4647 1.4647 1.9080 1.9080 1.9690 1.9690 2.0007 2.0007 2.0860 2.0860 2.1474 2.1474 2.1995 2.1995 2.2330 2.2330 2.2768 2.2768 2.3918 2.3918 4.1522 4.1522 4.1563 4.1563 9.4685 9.4685 10.1470 10.1470 10.3092 10.3092 10.3776 10.3776 10.3806 10.3806 11.0148 11.0148 k = 0.3571 0.2062 0.1458 ( 12875 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4715 -21.4715 -21.4687 -21.4687 -11.0990 -11.0990 -10.6761 -10.6761 -10.5283 -10.5283 -10.5242 -10.5242 -10.4774 -10.4774 -10.4711 -10.4711 -6.1954 -6.1954 -6.1707 -6.1707 -5.3542 -5.3542 -5.3184 -5.3184 -5.3170 -5.3170 -5.2868 -5.2868 -1.4894 -1.4894 -1.4830 -1.4830 -1.1333 -1.1333 -0.7296 -0.7296 -0.7127 -0.7127 -0.5638 -0.5638 -0.1384 -0.1384 0.4783 0.4783 0.4901 0.4901 1.3567 1.3567 1.4334 1.4334 1.4492 1.4492 1.8992 1.8992 1.9817 1.9817 2.0065 2.0065 2.0917 2.0917 2.1375 2.1375 2.1893 2.1893 2.2158 2.2158 2.2587 2.2587 2.3766 2.3766 4.1422 4.1422 4.1464 4.1464 9.5486 9.5486 10.2097 10.2097 10.3177 10.3177 10.4428 10.4428 10.4463 10.4463 11.0564 11.0564 k = 0.3750 0.2165 0.1531 ( 12857 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4713 -21.4713 -21.4689 -21.4689 -11.0932 -11.0932 -10.6842 -10.6842 -10.5266 -10.5266 -10.5230 -10.5230 -10.4795 -10.4795 -10.4726 -10.4726 -6.1924 -6.1924 -6.1707 -6.1707 -5.3511 -5.3511 -5.3193 -5.3193 -5.3122 -5.3122 -5.2857 -5.2857 -1.4943 -1.4943 -1.4877 -1.4877 -1.1163 -1.1163 -0.7236 -0.7236 -0.7111 -0.7111 -0.5599 -0.5599 -0.1546 -0.1546 0.5004 0.5004 0.5114 0.5114 1.3260 1.3260 1.4235 1.4235 1.4360 1.4360 1.8912 1.8912 1.9943 1.9943 2.0117 2.0117 2.0971 2.0971 2.1264 2.1264 2.1775 2.1775 2.2013 2.2013 2.2438 2.2438 2.3619 2.3619 4.1332 4.1332 4.1376 4.1376 9.6272 9.6272 10.2532 10.2532 10.3410 10.3410 10.5087 10.5087 10.5127 10.5127 11.0870 11.0870 k = 0.3929 0.2268 0.1604 ( 12860 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4711 -21.4711 -21.4690 -21.4690 -11.0878 -11.0878 -10.6916 -10.6916 -10.5249 -10.5249 -10.5219 -10.5219 -10.4816 -10.4816 -10.4740 -10.4740 -6.1896 -6.1896 -6.1708 -6.1708 -5.3482 -5.3482 -5.3202 -5.3202 -5.3077 -5.3077 -5.2850 -5.2850 -1.4987 -1.4987 -1.4919 -1.4919 -1.1015 -1.1015 -0.7170 -0.7170 -0.7096 -0.7096 -0.5560 -0.5560 -0.1700 -0.1700 0.5204 0.5204 0.5306 0.5306 1.2978 1.2978 1.4151 1.4151 1.4249 1.4249 1.8841 1.8841 2.0065 2.0065 2.0162 2.0162 2.1013 2.1013 2.1152 2.1152 2.1646 2.1646 2.1894 2.1894 2.2323 2.2323 2.3478 2.3478 4.1252 4.1252 4.1298 4.1298 9.7038 9.7038 10.2634 10.2634 10.3917 10.3917 10.5747 10.5747 10.5793 10.5793 11.1045 11.1045 k = 0.4107 0.2371 0.1677 ( 12878 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4710 -21.4710 -21.4692 -21.4692 -11.0830 -11.0830 -10.6983 -10.6983 -10.5233 -10.5233 -10.5209 -10.5209 -10.4835 -10.4835 -10.4753 -10.4753 -6.1870 -6.1870 -6.1711 -6.1711 -5.3454 -5.3454 -5.3214 -5.3214 -5.3035 -5.3035 -5.2846 -5.2846 -1.5025 -1.5025 -1.4956 -1.4956 -1.0889 -1.0889 -0.7101 -0.7101 -0.7082 -0.7082 -0.5523 -0.5523 -0.1840 -0.1840 0.5381 0.5381 0.5475 0.5475 1.2727 1.2727 1.4081 1.4081 1.4158 1.4158 1.8778 1.8778 2.0180 2.0180 2.0200 2.0200 2.0981 2.0981 2.1113 2.1113 2.1515 2.1515 2.1798 2.1798 2.2236 2.2236 2.3347 2.3347 4.1184 4.1184 4.1230 4.1230 9.7775 9.7775 10.2550 10.2550 10.4541 10.4541 10.6403 10.6403 10.6456 10.6456 11.1084 11.1084 k = 0.4286 0.2474 0.1750 ( 12884 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4708 -21.4708 -21.4694 -21.4694 -11.0789 -11.0789 -10.7040 -10.7040 -10.5218 -10.5218 -10.5200 -10.5200 -10.4853 -10.4853 -10.4764 -10.4764 -6.1846 -6.1846 -6.1715 -6.1715 -5.3427 -5.3427 -5.3226 -5.3226 -5.2997 -5.2997 -5.2846 -5.2846 -1.5056 -1.5056 -1.4986 -1.4986 -1.0787 -1.0787 -0.7071 -0.7071 -0.7035 -0.7035 -0.5490 -0.5490 -0.1965 -0.1965 0.5531 0.5531 0.5618 0.5618 1.2513 1.2513 1.4026 1.4026 1.4085 1.4085 1.8725 1.8725 2.0229 2.0229 2.0285 2.0285 2.0880 2.0880 2.1150 2.1150 2.1396 2.1396 2.1718 2.1718 2.2171 2.2171 2.3230 2.3230 4.1128 4.1128 4.1175 4.1175 9.8475 9.8475 10.2372 10.2372 10.5170 10.5170 10.7050 10.7050 10.7109 10.7109 11.1001 11.1001 k = 0.4464 0.2577 0.1823 ( 12884 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4706 -21.4706 -21.4695 -21.4695 -11.0755 -11.0755 -10.7085 -10.7085 -10.5205 -10.5205 -10.5193 -10.5193 -10.4868 -10.4868 -10.4773 -10.4773 -6.1824 -6.1824 -6.1722 -6.1722 -5.3403 -5.3403 -5.3239 -5.3239 -5.2963 -5.2963 -5.2850 -5.2850 -1.5080 -1.5080 -1.5009 -1.5009 -1.0709 -1.0709 -0.7062 -0.7062 -0.6976 -0.6976 -0.5460 -0.5460 -0.2068 -0.2068 0.5650 0.5650 0.5731 0.5731 1.2342 1.2342 1.3984 1.3984 1.4029 1.4029 1.8682 1.8682 2.0250 2.0250 2.0374 2.0374 2.0785 2.0785 2.1194 2.1194 2.1297 2.1297 2.1652 2.1652 2.2123 2.2123 2.3132 2.3132 4.1084 4.1084 4.1131 4.1131 9.9130 9.9130 10.2127 10.2127 10.5756 10.5756 10.7676 10.7676 10.7742 10.7742 11.0826 11.0826 k = 0.4643 0.2681 0.1895 ( 12890 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4704 -21.4704 -21.4697 -21.4697 -11.0730 -11.0730 -10.7119 -10.7119 -10.5195 -10.5195 -10.5187 -10.5187 -10.4880 -10.4880 -10.4780 -10.4780 -6.1805 -6.1805 -6.1729 -6.1729 -5.3382 -5.3382 -5.3251 -5.3251 -5.2934 -5.2934 -5.2858 -5.2858 -1.5098 -1.5098 -1.5026 -1.5026 -1.0653 -1.0653 -0.7056 -0.7056 -0.6930 -0.6930 -0.5437 -0.5437 -0.2147 -0.2147 0.5737 0.5737 0.5814 0.5814 1.2217 1.2217 1.3955 1.3955 1.3990 1.3990 1.8651 1.8651 2.0264 2.0264 2.0444 2.0444 2.0712 2.0712 2.1223 2.1223 2.1234 2.1234 2.1599 2.1599 2.2091 2.2091 2.3056 2.3056 4.1052 4.1052 4.1100 4.1100 9.9725 9.9725 10.1826 10.1826 10.6253 10.6253 10.8261 10.8261 10.8334 10.8334 11.0610 11.0610 k = 0.4821 0.2784 0.1968 ( 12893 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4702 -21.4702 -21.4699 -21.4699 -11.0715 -11.0715 -10.7140 -10.7140 -10.5189 -10.5189 -10.5184 -10.5184 -10.4887 -10.4887 -10.4785 -10.4785 -6.1791 -6.1791 -6.1737 -6.1737 -5.3368 -5.3368 -5.3261 -5.3261 -5.2909 -5.2909 -5.2870 -5.2870 -1.5109 -1.5109 -1.5037 -1.5037 -1.0620 -1.0620 -0.7052 -0.7052 -0.6900 -0.6900 -0.5422 -0.5422 -0.2195 -0.2195 0.5790 0.5790 0.5864 0.5864 1.2141 1.2141 1.3938 1.3938 1.3967 1.3967 1.8632 1.8632 2.0271 2.0271 2.0489 2.0489 2.0666 2.0666 2.1178 2.1178 2.1264 2.1264 2.1562 2.1562 2.2072 2.2072 2.3009 2.3009 4.1033 4.1033 4.1081 4.1081 10.0229 10.0229 10.1502 10.1502 10.6601 10.6601 10.8754 10.8754 10.8835 10.8835 11.0421 11.0421 k = 0.5000 0.2887 0.2041 ( 12860 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4701 -21.4701 -21.4701 -21.4701 -11.0709 -11.0709 -10.7147 -10.7147 -10.5186 -10.5186 -10.5183 -10.5183 -10.4890 -10.4890 -10.4786 -10.4786 -6.1785 -6.1785 -6.1741 -6.1741 -5.3362 -5.3362 -5.3265 -5.3265 -5.2892 -5.2892 -5.2882 -5.2882 -1.5112 -1.5112 -1.5040 -1.5040 -1.0609 -1.0609 -0.7050 -0.7050 -0.6889 -0.6889 -0.5417 -0.5417 -0.2212 -0.2212 0.5808 0.5808 0.5881 0.5881 1.2115 1.2115 1.3932 1.3932 1.3959 1.3959 1.8625 1.8625 2.0274 2.0274 2.0504 2.0504 2.0650 2.0650 2.1163 2.1163 2.1276 2.1276 2.1549 2.1549 2.2065 2.2065 2.2993 2.2993 4.1027 4.1027 4.1075 4.1075 10.0482 10.0482 10.1308 10.1308 10.6729 10.6729 10.8984 10.8984 10.9069 10.9069 11.0282 11.0282 k = 0.5000 0.2887 0.2041 ( 12860 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4701 -21.4701 -21.4701 -21.4701 -11.0709 -11.0709 -10.7147 -10.7147 -10.5186 -10.5186 -10.5183 -10.5183 -10.4890 -10.4890 -10.4786 -10.4786 -6.1785 -6.1785 -6.1741 -6.1741 -5.3362 -5.3362 -5.3265 -5.3265 -5.2892 -5.2892 -5.2882 -5.2882 -1.5112 -1.5112 -1.5040 -1.5040 -1.0609 -1.0609 -0.7050 -0.7050 -0.6889 -0.6889 -0.5417 -0.5417 -0.2212 -0.2212 0.5808 0.5808 0.5881 0.5881 1.2115 1.2115 1.3932 1.3932 1.3959 1.3959 1.8625 1.8625 2.0274 2.0274 2.0504 2.0504 2.0650 2.0650 2.1163 2.1163 2.1276 2.1276 2.1549 2.1549 2.2065 2.2065 2.2993 2.2993 4.1027 4.1027 4.1075 4.1075 10.0482 10.0482 10.1308 10.1308 10.6729 10.6729 10.8984 10.8984 10.9069 10.9069 11.0282 11.0282 k = 0.5062 0.2706 0.2143 ( 12897 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4701 -21.4701 -21.4701 -21.4701 -11.0708 -11.0708 -10.7146 -10.7146 -10.5189 -10.5189 -10.5186 -10.5186 -10.4888 -10.4888 -10.4785 -10.4785 -6.1784 -6.1784 -6.1740 -6.1740 -5.3360 -5.3360 -5.3264 -5.3264 -5.2892 -5.2892 -5.2882 -5.2882 -1.5116 -1.5116 -1.5043 -1.5043 -1.0600 -1.0600 -0.7052 -0.7052 -0.6891 -0.6891 -0.5418 -0.5418 -0.2192 -0.2192 0.5803 0.5803 0.5877 0.5877 1.2122 1.2122 1.3933 1.3933 1.3960 1.3960 1.8604 1.8604 2.0206 2.0206 2.0461 2.0461 2.0711 2.0711 2.1174 2.1174 2.1292 2.1292 2.1540 2.1540 2.2085 2.2085 2.2990 2.2990 4.1018 4.1018 4.1070 4.1070 10.0511 10.0511 10.1338 10.1338 10.6746 10.6746 10.9002 10.9002 10.9089 10.9089 11.0300 11.0300 k = 0.5125 0.2526 0.2245 ( 12890 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4701 -21.4701 -21.4701 -21.4701 -11.0704 -11.0704 -10.7144 -10.7144 -10.5198 -10.5198 -10.5193 -10.5193 -10.4883 -10.4883 -10.4784 -10.4784 -6.1782 -6.1782 -6.1739 -6.1739 -5.3356 -5.3356 -5.3261 -5.3261 -5.2892 -5.2892 -5.2882 -5.2882 -1.5131 -1.5131 -1.5049 -1.5049 -1.0574 -1.0574 -0.7055 -0.7055 -0.6896 -0.6896 -0.5422 -0.5422 -0.2132 -0.2132 0.5787 0.5787 0.5864 0.5864 1.2141 1.2141 1.3936 1.3936 1.3964 1.3964 1.8539 1.8539 2.0039 2.0039 2.0407 2.0407 2.0789 2.0789 2.1203 2.1203 2.1329 2.1329 2.1529 2.1529 2.2139 2.2139 2.2984 2.2984 4.0977 4.0977 4.1070 4.1070 10.0597 10.0597 10.1425 10.1425 10.6798 10.6798 10.9049 10.9049 10.9154 10.9154 11.0344 11.0344 k = 0.5188 0.2345 0.2347 ( 12885 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4701 -21.4701 -21.4701 -21.4701 -11.0697 -11.0697 -10.7140 -10.7140 -10.5214 -10.5214 -10.5203 -10.5203 -10.4877 -10.4877 -10.4781 -10.4781 -6.1779 -6.1779 -6.1736 -6.1736 -5.3348 -5.3348 -5.3255 -5.3255 -5.2892 -5.2892 -5.2881 -5.2881 -1.5163 -1.5163 -1.5049 -1.5049 -1.0530 -1.0530 -0.7062 -0.7062 -0.6904 -0.6904 -0.5427 -0.5427 -0.2032 -0.2032 0.5755 0.5755 0.5846 0.5846 1.2172 1.2172 1.3941 1.3941 1.3971 1.3971 1.8435 1.8435 1.9823 1.9823 2.0353 2.0353 2.0833 2.0833 2.1245 2.1245 2.1351 2.1351 2.1555 2.1555 2.2215 2.2215 2.2974 2.2974 4.0897 4.0897 4.1083 4.1083 10.0740 10.0740 10.1570 10.1570 10.6882 10.6882 10.9115 10.9115 10.9276 10.9276 11.0400 11.0400 k = 0.5250 0.2165 0.2449 ( 12893 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4701 -21.4701 -21.4701 -21.4701 -11.0687 -11.0687 -10.7135 -10.7135 -10.5235 -10.5235 -10.5216 -10.5216 -10.4870 -10.4870 -10.4776 -10.4776 -6.1774 -6.1774 -6.1733 -6.1733 -5.3338 -5.3338 -5.3247 -5.3247 -5.2892 -5.2892 -5.2880 -5.2880 -1.5215 -1.5215 -1.5042 -1.5042 -1.0469 -1.0469 -0.7072 -0.7072 -0.6914 -0.6914 -0.5434 -0.5434 -0.1896 -0.1896 0.5707 0.5707 0.5826 0.5826 1.2216 1.2216 1.3948 1.3948 1.3982 1.3982 1.8292 1.8292 1.9582 1.9582 2.0298 2.0298 2.0846 2.0846 2.1272 2.1272 2.1347 2.1347 2.1635 2.1635 2.2304 2.2304 2.2966 2.2966 4.0784 4.0784 4.1104 4.1104 10.0939 10.0939 10.1770 10.1770 10.6998 10.6998 10.9201 10.9201 10.9453 10.9453 11.0471 11.0471 k = 0.5312 0.1985 0.2552 ( 12892 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4701 -21.4701 -21.4700 -21.4700 -11.0674 -11.0674 -10.7128 -10.7128 -10.5261 -10.5261 -10.5231 -10.5231 -10.4865 -10.4865 -10.4769 -10.4769 -6.1768 -6.1768 -6.1728 -6.1728 -5.3325 -5.3325 -5.3237 -5.3237 -5.2893 -5.2893 -5.2880 -5.2880 -1.5282 -1.5282 -1.5029 -1.5029 -1.0391 -1.0391 -0.7086 -0.7086 -0.6925 -0.6925 -0.5443 -0.5443 -0.1725 -0.1725 0.5643 0.5643 0.5803 0.5803 1.2271 1.2271 1.3958 1.3958 1.3996 1.3996 1.8115 1.8115 1.9325 1.9325 2.0243 2.0243 2.0837 2.0837 2.1246 2.1246 2.1372 2.1372 2.1739 2.1739 2.2397 2.2397 2.2963 2.2963 4.0641 4.0641 4.1133 4.1133 10.1190 10.1190 10.2024 10.2024 10.7141 10.7141 10.9311 10.9311 10.9681 10.9681 11.0561 11.0561 k = 0.5375 0.1804 0.2654 ( 12893 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4701 -21.4701 -21.4700 -21.4700 -11.0660 -11.0660 -10.7121 -10.7121 -10.5290 -10.5290 -10.5248 -10.5248 -10.4862 -10.4862 -10.4760 -10.4760 -6.1761 -6.1761 -6.1723 -6.1723 -5.3309 -5.3309 -5.3226 -5.3226 -5.2893 -5.2893 -5.2879 -5.2879 -1.5363 -1.5363 -1.5012 -1.5012 -1.0297 -1.0297 -0.7104 -0.7104 -0.6936 -0.6936 -0.5452 -0.5452 -0.1523 -0.1523 0.5564 0.5564 0.5776 0.5776 1.2338 1.2338 1.3972 1.3972 1.4015 1.4015 1.7909 1.7909 1.9057 1.9057 2.0189 2.0189 2.0813 2.0813 2.1195 2.1195 2.1405 2.1405 2.1843 2.1843 2.2491 2.2491 2.2971 2.2971 4.0471 4.0471 4.1168 4.1168 10.1492 10.1492 10.2328 10.2328 10.7308 10.7308 10.9445 10.9445 10.9956 10.9956 11.0671 11.0671 k = 0.5437 0.1624 0.2756 ( 12895 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4701 -21.4701 -21.4700 -21.4700 -11.0643 -11.0643 -10.7112 -10.7112 -10.5322 -10.5322 -10.5267 -10.5267 -10.4862 -10.4862 -10.4748 -10.4748 -6.1753 -6.1753 -6.1718 -6.1718 -5.3292 -5.3292 -5.3213 -5.3213 -5.2893 -5.2893 -5.2877 -5.2877 -1.5454 -1.5454 -1.4991 -1.4991 -1.0189 -1.0189 -0.7128 -0.7128 -0.6947 -0.6947 -0.5462 -0.5462 -0.1293 -0.1293 0.5473 0.5473 0.5743 0.5743 1.2414 1.2414 1.3991 1.3991 1.4037 1.4037 1.7679 1.7679 1.8782 1.8782 2.0137 2.0137 2.0775 2.0775 2.1137 2.1137 2.1428 2.1428 2.1937 2.1937 2.2583 2.2583 2.2995 2.2995 4.0276 4.0276 4.1209 4.1209 10.1840 10.1840 10.2678 10.2678 10.7497 10.7497 10.9599 10.9599 11.0272 11.0272 11.0804 11.0804 k = 0.5500 0.1443 0.2858 ( 12890 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4701 -21.4701 -21.4700 -21.4700 -11.0624 -11.0624 -10.7102 -10.7102 -10.5355 -10.5355 -10.5287 -10.5287 -10.4866 -10.4866 -10.4734 -10.4734 -6.1744 -6.1744 -6.1711 -6.1711 -5.3273 -5.3273 -5.3198 -5.3198 -5.2893 -5.2893 -5.2876 -5.2876 -1.5554 -1.5554 -1.4967 -1.4967 -1.0067 -1.0067 -0.7157 -0.7157 -0.6957 -0.6957 -0.5472 -0.5472 -0.1039 -0.1039 0.5371 0.5371 0.5704 0.5704 1.2499 1.2499 1.4016 1.4016 1.4064 1.4064 1.7429 1.7429 1.8504 1.8504 2.0086 2.0086 2.0725 2.0725 2.1079 2.1079 2.1433 2.1433 2.2015 2.2015 2.2675 2.2675 2.3036 2.3036 4.0060 4.0060 4.1257 4.1257 10.2230 10.2230 10.3072 10.3072 10.7701 10.7701 10.9768 10.9768 11.0624 11.0624 11.0963 11.0963 k = 0.5563 0.1263 0.2960 ( 12890 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4701 -21.4701 -21.4700 -21.4700 -11.0604 -11.0604 -10.7091 -10.7091 -10.5390 -10.5390 -10.5307 -10.5307 -10.4873 -10.4873 -10.4719 -10.4719 -6.1735 -6.1735 -6.1704 -6.1704 -5.3252 -5.3252 -5.3183 -5.3183 -5.2894 -5.2894 -5.2874 -5.2874 -1.5660 -1.5660 -1.4940 -1.4940 -0.9932 -0.9932 -0.7191 -0.7191 -0.6966 -0.6966 -0.5481 -0.5481 -0.0765 -0.0765 0.5261 0.5261 0.5658 0.5658 1.2592 1.2592 1.4047 1.4047 1.4095 1.4095 1.7165 1.7165 1.8224 1.8224 2.0037 2.0037 2.0662 2.0662 2.1023 2.1023 2.1415 2.1415 2.2079 2.2079 2.2770 2.2770 2.3092 2.3092 3.9827 3.9827 4.1310 4.1310 10.2657 10.2657 10.3504 10.3504 10.7919 10.7919 10.9945 10.9945 11.1004 11.1004 11.1154 11.1154 k = 0.5625 0.1083 0.3062 ( 12895 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4701 -21.4701 -21.4700 -21.4700 -11.0583 -11.0583 -10.7079 -10.7079 -10.5424 -10.5424 -10.5328 -10.5328 -10.4884 -10.4884 -10.4702 -10.4702 -6.1725 -6.1725 -6.1697 -6.1697 -5.3230 -5.3230 -5.3166 -5.3166 -5.2894 -5.2894 -5.2873 -5.2873 -1.5771 -1.5771 -1.4909 -1.4909 -0.9788 -0.9788 -0.7229 -0.7229 -0.6973 -0.6973 -0.5489 -0.5489 -0.0475 -0.0475 0.5144 0.5144 0.5604 0.5604 1.2691 1.2691 1.4086 1.4086 1.4132 1.4132 1.6893 1.6893 1.7946 1.7946 1.9988 1.9988 2.0586 2.0586 2.0968 2.0968 2.1374 2.1374 2.2131 2.2131 2.2872 2.2872 2.3158 2.3158 3.9580 3.9580 4.1369 4.1369 10.3111 10.3111 10.3969 10.3969 10.8145 10.8145 11.0122 11.0122 11.1374 11.1374 11.1406 11.1406 k = 0.5687 0.0902 0.3164 ( 12889 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4701 -21.4701 -21.4699 -21.4699 -11.0561 -11.0561 -10.7066 -10.7066 -10.5458 -10.5458 -10.5349 -10.5349 -10.4897 -10.4897 -10.4686 -10.4686 -6.1715 -6.1715 -6.1689 -6.1689 -5.3208 -5.3208 -5.3150 -5.3150 -5.2894 -5.2894 -5.2870 -5.2870 -1.5883 -1.5883 -1.4876 -1.4876 -0.9636 -0.9636 -0.7270 -0.7270 -0.6980 -0.6980 -0.5496 -0.5496 -0.0174 -0.0174 0.5024 0.5024 0.5541 0.5541 1.2793 1.2793 1.4129 1.4129 1.4178 1.4178 1.6618 1.6618 1.7673 1.7673 1.9939 1.9939 2.0500 2.0500 2.0915 2.0915 2.1311 2.1311 2.2176 2.2176 2.2981 2.2981 2.3228 2.3228 3.9322 3.9322 4.1434 4.1434 10.3583 10.3583 10.4465 10.4465 10.8377 10.8377 11.0291 11.0291 11.1640 11.1640 11.1804 11.1804 k = 0.5750 0.0722 0.3266 ( 12883 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4701 -21.4701 -21.4699 -21.4699 -11.0539 -11.0539 -10.7052 -10.7052 -10.5491 -10.5491 -10.5369 -10.5369 -10.4913 -10.4913 -10.4669 -10.4669 -6.1706 -6.1706 -6.1682 -6.1682 -5.3185 -5.3185 -5.3133 -5.3133 -5.2895 -5.2895 -5.2868 -5.2868 -1.5996 -1.5996 -1.4841 -1.4841 -0.9479 -0.9479 -0.7313 -0.7313 -0.6985 -0.6985 -0.5501 -0.5501 0.0132 0.0132 0.4903 0.4903 0.5468 0.5468 1.2895 1.2895 1.4175 1.4175 1.4234 1.4234 1.6347 1.6347 1.7406 1.7406 1.9889 1.9889 2.0403 2.0403 2.0864 2.0864 2.1227 2.1227 2.2217 2.2217 2.3095 2.3095 2.3299 2.3299 3.9058 3.9058 4.1503 4.1503 10.4059 10.4059 10.4987 10.4987 10.8609 10.8609 11.0447 11.0447 11.1939 11.1939 11.2191 11.2191 k = 0.5813 0.0541 0.3368 ( 12880 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4702 -21.4702 -21.4699 -21.4699 -11.0517 -11.0517 -10.7038 -10.7038 -10.5522 -10.5522 -10.5390 -10.5390 -10.4931 -10.4931 -10.4652 -10.4652 -6.1696 -6.1696 -6.1674 -6.1674 -5.3164 -5.3164 -5.3116 -5.3116 -5.2895 -5.2895 -5.2865 -5.2865 -1.6108 -1.6108 -1.4803 -1.4803 -0.9320 -0.9320 -0.7357 -0.7357 -0.6990 -0.6990 -0.5503 -0.5503 0.0438 0.0438 0.4786 0.4786 0.5386 0.5386 1.2993 1.2993 1.4220 1.4220 1.4304 1.4304 1.6089 1.6089 1.7149 1.7149 1.9839 1.9839 2.0299 2.0299 2.0814 2.0814 2.1129 2.1129 2.2255 2.2255 2.3209 2.3209 2.3371 2.3371 3.8792 3.8792 4.1577 4.1577 10.4523 10.4523 10.5531 10.5531 10.8838 10.8838 11.0589 11.0589 11.2267 11.2267 11.2545 11.2545 k = 0.5875 0.0361 0.3470 ( 12871 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4702 -21.4702 -21.4699 -21.4699 -11.0496 -11.0496 -10.7023 -10.7023 -10.5551 -10.5551 -10.5410 -10.5410 -10.4951 -10.4951 -10.4635 -10.4635 -6.1688 -6.1688 -6.1665 -6.1665 -5.3144 -5.3144 -5.3100 -5.3100 -5.2895 -5.2895 -5.2862 -5.2862 -1.6217 -1.6217 -1.4763 -1.4763 -0.9163 -0.9163 -0.7401 -0.7401 -0.6993 -0.6993 -0.5503 -0.5503 0.0736 0.0736 0.4677 0.4677 0.5295 0.5295 1.3082 1.3082 1.4267 1.4267 1.4387 1.4387 1.5851 1.5851 1.6904 1.6904 1.9785 1.9785 2.0191 2.0191 2.0760 2.0760 2.1022 2.1022 2.2290 2.2290 2.3320 2.3320 2.3446 2.3446 3.8528 3.8528 4.1655 4.1655 10.4957 10.4957 10.6093 10.6093 10.9057 10.9057 11.0720 11.0720 11.2619 11.2619 11.2846 11.2846 k = 0.5938 0.0180 0.3572 ( 12872 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4702 -21.4702 -21.4698 -21.4698 -11.0477 -11.0477 -10.7007 -10.7007 -10.5576 -10.5576 -10.5429 -10.5429 -10.4974 -10.4974 -10.4619 -10.4619 -6.1681 -6.1681 -6.1657 -6.1657 -5.3126 -5.3126 -5.3084 -5.3084 -5.2895 -5.2895 -5.2859 -5.2859 -1.6321 -1.6321 -1.4722 -1.4722 -0.9013 -0.9013 -0.7444 -0.7444 -0.6995 -0.6995 -0.5501 -0.5501 0.1019 0.1019 0.4582 0.4582 0.5195 0.5195 1.3152 1.3152 1.4317 1.4317 1.4480 1.4480 1.5644 1.5644 1.6673 1.6673 1.9725 1.9725 2.0084 2.0084 2.0700 2.0700 2.0916 2.0916 2.2323 2.2323 2.3414 2.3414 2.3534 2.3534 3.8268 3.8268 4.1737 4.1737 10.5342 10.5342 10.6668 10.6668 10.9259 10.9259 11.0843 11.0843 11.2986 11.2986 11.3079 11.3079 k = 0.6000 0.0000 0.3674 ( 12878 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4702 -21.4702 -21.4698 -21.4698 -11.0459 -11.0459 -10.6990 -10.6990 -10.5597 -10.5597 -10.5447 -10.5447 -10.4998 -10.4998 -10.4604 -10.4604 -6.1675 -6.1675 -6.1649 -6.1649 -5.3112 -5.3112 -5.3069 -5.3069 -5.2894 -5.2894 -5.2855 -5.2855 -1.6421 -1.6421 -1.4678 -1.4678 -0.8874 -0.8874 -0.7484 -0.7484 -0.6993 -0.6993 -0.5496 -0.5496 0.1277 0.1277 0.4507 0.4507 0.5085 0.5085 1.3196 1.3196 1.4373 1.4373 1.4582 1.4582 1.5476 1.5476 1.6460 1.6460 1.9655 1.9655 1.9985 1.9985 2.0624 2.0624 2.0822 2.0822 2.2353 2.2353 2.3484 2.3484 2.3640 2.3640 3.8017 3.8017 4.1822 4.1822 10.5658 10.5658 10.7246 10.7246 10.9434 10.9434 11.0964 11.0964 11.3232 11.3232 11.3362 11.3362 k = 0.6062-0.0180 0.3776 ( 12860 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4703 -21.4703 -21.4697 -21.4697 -11.0445 -11.0445 -10.6971 -10.6971 -10.5614 -10.5614 -10.5464 -10.5464 -10.5023 -10.5023 -10.4589 -10.4589 -6.1671 -6.1671 -6.1641 -6.1641 -5.3103 -5.3103 -5.3053 -5.3053 -5.2893 -5.2893 -5.2850 -5.2850 -1.6513 -1.6513 -1.4633 -1.4633 -0.8751 -0.8751 -0.7521 -0.7521 -0.6988 -0.6988 -0.5488 -0.5488 0.1503 0.1503 0.4459 0.4459 0.4968 0.4968 1.3206 1.3206 1.4439 1.4439 1.4689 1.4689 1.5353 1.5353 1.6270 1.6270 1.9571 1.9571 1.9900 1.9900 2.0528 2.0528 2.0750 2.0750 2.2379 2.2379 2.3538 2.3538 2.3758 2.3758 3.7779 3.7779 4.1910 4.1910 10.5888 10.5888 10.7815 10.7815 10.9570 10.9570 11.1086 11.1086 11.3305 11.3305 11.3738 11.3738 k = 0.6125-0.0361 0.3878 ( 12858 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4703 -21.4703 -21.4697 -21.4697 -11.0434 -11.0434 -10.6951 -10.6951 -10.5627 -10.5627 -10.5480 -10.5480 -10.5050 -10.5050 -10.4574 -10.4574 -6.1668 -6.1668 -6.1633 -6.1633 -5.3098 -5.3098 -5.3039 -5.3039 -5.2892 -5.2892 -5.2846 -5.2846 -1.6598 -1.6598 -1.4587 -1.4587 -0.8648 -0.8648 -0.7556 -0.7556 -0.6976 -0.6976 -0.5477 -0.5477 0.1685 0.1685 0.4442 0.4442 0.4847 0.4847 1.3179 1.3179 1.4520 1.4520 1.4795 1.4795 1.5272 1.5272 1.6111 1.6111 1.9474 1.9474 1.9831 1.9831 2.0417 2.0417 2.0697 2.0697 2.2402 2.2402 2.3580 2.3580 2.3880 2.3880 3.7556 3.7556 4.2000 4.2000 10.6021 10.6021 10.8361 10.8361 10.9656 10.9656 11.1210 11.1210 11.3294 11.3294 11.4110 11.4110 k = 0.6188-0.0541 0.3980 ( 12852 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4704 -21.4704 -21.4696 -21.4696 -11.0427 -11.0427 -10.6929 -10.6929 -10.5636 -10.5636 -10.5495 -10.5495 -10.5078 -10.5078 -10.4560 -10.4560 -6.1667 -6.1667 -6.1626 -6.1626 -5.3097 -5.3097 -5.3026 -5.3026 -5.2891 -5.2891 -5.2840 -5.2840 -1.6675 -1.6675 -1.4540 -1.4540 -0.8568 -0.8568 -0.7591 -0.7591 -0.6958 -0.6958 -0.5464 -0.5464 0.1820 0.1820 0.4453 0.4453 0.4729 0.4729 1.3122 1.3122 1.4617 1.4617 1.4890 1.4890 1.5228 1.5228 1.5992 1.5992 1.9370 1.9370 1.9776 1.9776 2.0304 2.0304 2.0656 2.0656 2.2422 2.2422 2.3615 2.3615 2.4002 2.4002 3.7351 3.7351 4.2092 4.2092 10.6046 10.6046 10.8864 10.8864 10.9683 10.9683 11.1334 11.1334 11.3204 11.3204 11.4474 11.4474 k = 0.6250-0.0722 0.4082 ( 12858 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4704 -21.4704 -21.4696 -21.4696 -11.0424 -11.0424 -10.6905 -10.6905 -10.5640 -10.5640 -10.5508 -10.5508 -10.5106 -10.5106 -10.4547 -10.4547 -6.1668 -6.1668 -6.1620 -6.1620 -5.3100 -5.3100 -5.3015 -5.3015 -5.2890 -5.2890 -5.2835 -5.2835 -1.6742 -1.6742 -1.4492 -1.4492 -0.8511 -0.8511 -0.7627 -0.7627 -0.6933 -0.6933 -0.5448 -0.5448 0.1905 0.1905 0.4449 0.4449 0.4656 0.4656 1.3049 1.3049 1.4727 1.4727 1.4955 1.4955 1.5218 1.5218 1.5926 1.5926 1.9269 1.9269 1.9729 1.9729 2.0198 2.0198 2.0622 2.0622 2.2438 2.2438 2.3643 2.3643 2.4124 2.4124 3.7168 3.7168 4.2185 4.2185 10.5962 10.5962 10.9296 10.9296 10.9655 10.9655 11.1448 11.1448 11.3040 11.3040 11.4828 11.4828 k = 0.6250-0.0722 0.4082 ( 12858 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4704 -21.4704 -21.4696 -21.4696 -11.0424 -11.0424 -10.6905 -10.6905 -10.5640 -10.5640 -10.5508 -10.5508 -10.5106 -10.5106 -10.4547 -10.4547 -6.1668 -6.1668 -6.1620 -6.1620 -5.3100 -5.3100 -5.3015 -5.3015 -5.2890 -5.2890 -5.2835 -5.2835 -1.6742 -1.6742 -1.4492 -1.4492 -0.8511 -0.8511 -0.7627 -0.7627 -0.6933 -0.6933 -0.5448 -0.5448 0.1905 0.1905 0.4449 0.4449 0.4656 0.4656 1.3049 1.3049 1.4727 1.4727 1.4955 1.4955 1.5218 1.5218 1.5926 1.5926 1.9269 1.9269 1.9729 1.9729 2.0198 2.0198 2.0622 2.0622 2.2438 2.2438 2.3643 2.3643 2.4124 2.4124 3.7168 3.7168 4.2185 4.2185 10.5962 10.5962 10.9296 10.9296 10.9655 10.9655 11.1448 11.1448 11.3040 11.3040 11.4828 11.4828 k = 0.6146-0.0662 0.4253 ( 12849 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4704 -21.4704 -21.4696 -21.4696 -11.0423 -11.0423 -10.6905 -10.6905 -10.5640 -10.5640 -10.5511 -10.5511 -10.5102 -10.5102 -10.4549 -10.4549 -6.1668 -6.1668 -6.1620 -6.1620 -5.3099 -5.3099 -5.3014 -5.3014 -5.2890 -5.2890 -5.2836 -5.2836 -1.6740 -1.6740 -1.4496 -1.4496 -0.8505 -0.8505 -0.7628 -0.7628 -0.6936 -0.6936 -0.5448 -0.5448 0.1920 0.1920 0.4443 0.4443 0.4650 0.4650 1.3055 1.3055 1.4719 1.4719 1.4959 1.4959 1.5216 1.5216 1.5934 1.5934 1.9228 1.9228 1.9717 1.9717 2.0204 2.0204 2.0662 2.0662 2.2437 2.2437 2.3642 2.3642 2.4116 2.4116 3.7175 3.7175 4.2177 4.2177 10.5990 10.5990 10.9312 10.9312 10.9675 10.9675 11.1453 11.1453 11.3052 11.3052 11.4827 11.4827 k = 0.6042-0.0601 0.4423 ( 12849 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4704 -21.4704 -21.4696 -21.4696 -11.0421 -11.0421 -10.6908 -10.6908 -10.5642 -10.5642 -10.5518 -10.5518 -10.5090 -10.5090 -10.4552 -10.4552 -6.1667 -6.1667 -6.1620 -6.1620 -5.3097 -5.3097 -5.3013 -5.3013 -5.2890 -5.2890 -5.2837 -5.2837 -1.6733 -1.6733 -1.4510 -1.4510 -0.8487 -0.8487 -0.7629 -0.7629 -0.6947 -0.6947 -0.5449 -0.5449 0.1963 0.1963 0.4423 0.4423 0.4632 0.4632 1.3071 1.3071 1.4696 1.4696 1.4972 1.4972 1.5213 1.5213 1.5954 1.5954 1.9128 1.9128 1.9655 1.9655 2.0251 2.0251 2.0757 2.0757 2.2435 2.2435 2.3638 2.3638 2.4094 2.4094 3.7195 3.7195 4.2154 4.2154 10.6073 10.6073 10.9359 10.9359 10.9735 10.9735 11.1467 11.1467 11.3086 11.3086 11.4821 11.4821 k = 0.5938-0.0541 0.4593 ( 12847 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4704 -21.4704 -21.4696 -21.4696 -11.0418 -11.0418 -10.6911 -10.6911 -10.5645 -10.5645 -10.5529 -10.5529 -10.5072 -10.5072 -10.4558 -10.4558 -6.1665 -6.1665 -6.1620 -6.1620 -5.3093 -5.3093 -5.3011 -5.3011 -5.2891 -5.2891 -5.2839 -5.2839 -1.6721 -1.6721 -1.4531 -1.4531 -0.8458 -0.8458 -0.7630 -0.7630 -0.6964 -0.6964 -0.5450 -0.5450 0.2033 0.2033 0.4390 0.4390 0.4602 0.4602 1.3098 1.3098 1.4657 1.4657 1.4993 1.4993 1.5213 1.5213 1.5982 1.5982 1.9000 1.9000 1.9536 1.9536 2.0346 2.0346 2.0876 2.0876 2.2431 2.2431 2.3631 2.3631 2.4058 2.4058 3.7228 3.7228 4.2116 4.2116 10.6209 10.6209 10.9434 10.9434 10.9831 10.9831 11.1490 11.1490 11.3145 11.3145 11.4805 11.4805 k = 0.5833-0.0481 0.4763 ( 12862 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4704 -21.4704 -21.4696 -21.4696 -11.0413 -11.0413 -10.6916 -10.6916 -10.5650 -10.5650 -10.5541 -10.5541 -10.5050 -10.5050 -10.4566 -10.4566 -6.1663 -6.1663 -6.1620 -6.1620 -5.3087 -5.3087 -5.3009 -5.3009 -5.2891 -5.2891 -5.2842 -5.2842 -1.6706 -1.6706 -1.4559 -1.4559 -0.8419 -0.8419 -0.7633 -0.7633 -0.6987 -0.6987 -0.5451 -0.5451 0.2131 0.2131 0.4344 0.4344 0.4561 0.4561 1.3135 1.3135 1.4604 1.4604 1.5020 1.5020 1.5218 1.5218 1.6015 1.6015 1.8864 1.8864 1.9385 1.9385 2.0463 2.0463 2.1003 2.1003 2.2428 2.2428 2.3618 2.3618 2.4012 2.4012 3.7271 3.7271 4.2067 4.2067 10.6397 10.6397 10.9532 10.9532 10.9960 10.9960 11.1522 11.1522 11.3226 11.3226 11.4765 11.4765 k = 0.5729-0.0421 0.4933 ( 12850 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4703 -21.4703 -21.4696 -21.4696 -11.0407 -11.0407 -10.6922 -10.6922 -10.5656 -10.5656 -10.5553 -10.5553 -10.5024 -10.5024 -10.4576 -10.4576 -6.1660 -6.1660 -6.1620 -6.1620 -5.3080 -5.3080 -5.3006 -5.3006 -5.2892 -5.2892 -5.2846 -5.2846 -1.6688 -1.6688 -1.4592 -1.4592 -0.8371 -0.8371 -0.7636 -0.7636 -0.7016 -0.7016 -0.5453 -0.5453 0.2253 0.2253 0.4286 0.4286 0.4510 0.4510 1.3183 1.3183 1.4537 1.4537 1.5051 1.5051 1.5231 1.5231 1.6046 1.6046 1.8729 1.8729 1.9222 1.9222 2.0585 2.0585 2.1131 2.1131 2.2428 2.2428 2.3596 2.3596 2.3959 2.3959 3.7322 3.7322 4.2008 4.2008 10.6634 10.6634 10.9645 10.9645 11.0114 11.0114 11.1564 11.1564 11.3330 11.3330 11.4687 11.4687 k = 0.5625-0.0361 0.5103 ( 12850 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4703 -21.4703 -21.4697 -21.4697 -11.0400 -11.0400 -10.6928 -10.6928 -10.5663 -10.5663 -10.5564 -10.5564 -10.4997 -10.4997 -10.4587 -10.4587 -6.1657 -6.1657 -6.1620 -6.1620 -5.3072 -5.3072 -5.3003 -5.3003 -5.2893 -5.2893 -5.2850 -5.2850 -1.6669 -1.6669 -1.4628 -1.4628 -0.8317 -0.8317 -0.7639 -0.7639 -0.7050 -0.7050 -0.5455 -0.5455 0.2397 0.2397 0.4216 0.4216 0.4451 0.4451 1.3240 1.3240 1.4459 1.4459 1.5086 1.5086 1.5251 1.5251 1.6072 1.6072 1.8602 1.8602 1.9060 1.9060 2.0700 2.0700 2.1256 2.1256 2.2434 2.2434 2.3558 2.3558 2.3906 2.3906 3.7377 3.7377 4.1943 4.1943 10.6917 10.6917 10.9761 10.9761 11.0281 11.0281 11.1620 11.1620 11.3458 11.3458 11.4554 11.4554 k = 0.5521-0.0301 0.5273 ( 12860 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4703 -21.4703 -21.4697 -21.4697 -11.0394 -11.0394 -10.6935 -10.6935 -10.5671 -10.5671 -10.5573 -10.5573 -10.4970 -10.4970 -10.4600 -10.4600 -6.1654 -6.1654 -6.1620 -6.1620 -5.3063 -5.3063 -5.3000 -5.3000 -5.2894 -5.2894 -5.2854 -5.2854 -1.6648 -1.6648 -1.4665 -1.4665 -0.8258 -0.8258 -0.7641 -0.7641 -0.7088 -0.7088 -0.5457 -0.5457 0.2561 0.2561 0.4134 0.4134 0.4384 0.4384 1.3305 1.3305 1.4373 1.4373 1.5124 1.5124 1.5276 1.5276 1.6087 1.6087 1.8486 1.8486 1.8909 1.8909 2.0801 2.0801 2.1372 2.1372 2.2451 2.2451 2.3499 2.3499 2.3861 2.3861 3.7434 3.7434 4.1876 4.1876 10.7239 10.7239 10.9863 10.9863 11.0443 11.0443 11.1699 11.1699 11.3608 11.3608 11.4356 11.4356 k = 0.5417-0.0241 0.5443 ( 12874 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4702 -21.4702 -21.4698 -21.4698 -11.0387 -11.0387 -10.6942 -10.6942 -10.5678 -10.5678 -10.5581 -10.5581 -10.4944 -10.4944 -10.4613 -10.4613 -6.1651 -6.1651 -6.1621 -6.1621 -5.3053 -5.3053 -5.2998 -5.2998 -5.2896 -5.2896 -5.2858 -5.2858 -1.6629 -1.6629 -1.4700 -1.4700 -0.8199 -0.8199 -0.7642 -0.7642 -0.7129 -0.7129 -0.5459 -0.5459 0.2740 0.2740 0.4044 0.4044 0.4311 0.4311 1.3377 1.3377 1.4281 1.4281 1.5162 1.5162 1.5303 1.5303 1.6091 1.6091 1.8386 1.8386 1.8777 1.8777 2.0886 2.0886 2.1475 2.1475 2.2484 2.2484 2.3418 2.3418 2.3829 2.3829 3.7487 3.7487 4.1812 4.1812 10.7596 10.7596 10.9927 10.9927 11.0581 11.0581 11.1815 11.1815 11.3781 11.3781 11.4103 11.4103 k = 0.5312-0.0180 0.5613 ( 12862 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4702 -21.4702 -21.4698 -21.4698 -11.0381 -11.0381 -10.6949 -10.6949 -10.5684 -10.5684 -10.5587 -10.5587 -10.4921 -10.4921 -10.4626 -10.4626 -6.1647 -6.1647 -6.1622 -6.1622 -5.3043 -5.3043 -5.2998 -5.2998 -5.2897 -5.2897 -5.2861 -5.2861 -1.6612 -1.6612 -1.4730 -1.4730 -0.8144 -0.8144 -0.7639 -0.7639 -0.7169 -0.7169 -0.5461 -0.5461 0.2927 0.2927 0.3947 0.3947 0.4235 0.4235 1.3454 1.3454 1.4188 1.4188 1.5200 1.5200 1.5328 1.5328 1.6083 1.6083 1.8303 1.8303 1.8671 1.8671 2.0952 2.0952 2.1558 2.1558 2.2537 2.2537 2.3317 2.3317 2.3808 2.3808 3.7534 3.7534 4.1755 4.1755 10.7981 10.7981 10.9917 10.9917 11.0686 11.0686 11.1979 11.1979 11.3821 11.3821 11.3976 11.3976 k = 0.5208-0.0120 0.5784 ( 12837 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4701 -21.4701 -21.4699 -21.4699 -11.0376 -11.0376 -10.6954 -10.6954 -10.5689 -10.5689 -10.5591 -10.5591 -10.4902 -10.4902 -10.4638 -10.4638 -6.1643 -6.1643 -6.1624 -6.1624 -5.3033 -5.3033 -5.3000 -5.3000 -5.2899 -5.2899 -5.2863 -5.2863 -1.6599 -1.6599 -1.4754 -1.4754 -0.8100 -0.8100 -0.7631 -0.7631 -0.7207 -0.7207 -0.5463 -0.5463 0.3112 0.3112 0.3852 0.3852 0.4158 0.4158 1.3532 1.3532 1.4099 1.4099 1.5235 1.5235 1.5346 1.5346 1.6066 1.6066 1.8241 1.8241 1.8595 1.8595 2.1000 2.1000 2.1618 2.1618 2.2608 2.2608 2.3208 2.3208 2.3795 2.3795 3.7571 3.7571 4.1711 4.1711 10.8384 10.8384 10.9800 10.9800 11.0761 11.0761 11.2183 11.2183 11.3544 11.3544 11.4194 11.4194 k = 0.5104-0.0060 0.5954 ( 12832 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4701 -21.4701 -21.4699 -21.4699 -11.0372 -11.0372 -10.6958 -10.6958 -10.5692 -10.5692 -10.5593 -10.5593 -10.4890 -10.4890 -10.4646 -10.4646 -6.1640 -6.1640 -6.1626 -6.1626 -5.3024 -5.3024 -5.3003 -5.3003 -5.2900 -5.2900 -5.2865 -5.2865 -1.6591 -1.6591 -1.4770 -1.4770 -0.8072 -0.8072 -0.7621 -0.7621 -0.7236 -0.7236 -0.5464 -0.5464 0.3266 0.3266 0.3776 0.3776 0.4088 0.4088 1.3597 1.3597 1.4025 1.4025 1.5264 1.5264 1.5355 1.5355 1.6048 1.6048 1.8202 1.8202 1.8551 1.8551 2.1028 2.1028 2.1652 2.1652 2.2684 2.2684 2.3109 2.3109 2.3788 2.3788 3.7594 3.7594 4.1682 4.1682 10.8796 10.8796 10.9561 10.9561 11.0810 11.0810 11.2390 11.2390 11.3308 11.3308 11.4433 11.4433 k = 0.5000 0.0000 0.6124 ( 12808 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4700 -21.4700 -21.4700 -21.4700 -11.0371 -11.0371 -10.6960 -10.6960 -10.5693 -10.5693 -10.5594 -10.5594 -10.4885 -10.4885 -10.4649 -10.4649 -6.1639 -6.1639 -6.1626 -6.1626 -5.3018 -5.3018 -5.3007 -5.3007 -5.2900 -5.2900 -5.2865 -5.2865 -1.6587 -1.6587 -1.4775 -1.4775 -0.8062 -0.8062 -0.7615 -0.7615 -0.7247 -0.7247 -0.5465 -0.5465 0.3330 0.3330 0.3752 0.3752 0.4052 0.4052 1.3626 1.3626 1.3994 1.3994 1.5277 1.5277 1.5355 1.5355 1.6040 1.6040 1.8189 1.8189 1.8537 1.8537 2.1038 2.1038 2.1664 2.1664 2.2724 2.2724 2.3061 2.3061 2.3786 2.3786 3.7602 3.7602 4.1672 4.1672 10.9185 10.9185 10.9229 10.9229 11.0829 11.0829 11.2495 11.2495 11.3199 11.3199 11.4687 11.4689 k = 0.5000 0.0000 0.6124 ( 12808 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4700 -21.4700 -21.4700 -21.4700 -11.0371 -11.0371 -10.6960 -10.6960 -10.5693 -10.5693 -10.5594 -10.5594 -10.4885 -10.4885 -10.4649 -10.4649 -6.1639 -6.1639 -6.1626 -6.1626 -5.3018 -5.3018 -5.3007 -5.3007 -5.2900 -5.2900 -5.2865 -5.2865 -1.6587 -1.6587 -1.4775 -1.4775 -0.8062 -0.8062 -0.7615 -0.7615 -0.7247 -0.7247 -0.5465 -0.5465 0.3330 0.3330 0.3752 0.3752 0.4052 0.4052 1.3626 1.3626 1.3994 1.3994 1.5277 1.5277 1.5355 1.5355 1.6040 1.6040 1.8189 1.8189 1.8537 1.8537 2.1038 2.1038 2.1664 2.1664 2.2724 2.2724 2.3061 2.3061 2.3786 2.3786 3.7602 3.7602 4.1672 4.1672 10.9185 10.9185 10.9229 10.9229 11.0829 11.0829 11.2495 11.2495 11.3199 11.3199 11.4687 11.4688 k = 0.5000 0.0126 0.5946 ( 12844 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4700 -21.4700 -21.4700 -21.4700 -11.0373 -11.0373 -10.6961 -10.6961 -10.5690 -10.5690 -10.5592 -10.5592 -10.4885 -10.4885 -10.4649 -10.4649 -6.1639 -6.1639 -6.1627 -6.1627 -5.3020 -5.3020 -5.3008 -5.3008 -5.2900 -5.2900 -5.2865 -5.2865 -1.6582 -1.6582 -1.4776 -1.4776 -0.8083 -0.8083 -0.7610 -0.7610 -0.7241 -0.7241 -0.5466 -0.5466 0.3221 0.3221 0.3811 0.3811 0.4097 0.4097 1.3627 1.3627 1.3997 1.3997 1.5251 1.5251 1.5345 1.5345 1.6067 1.6067 1.8218 1.8218 1.8550 1.8550 2.1039 2.1039 2.1663 2.1663 2.2721 2.2721 2.3058 2.3058 2.3782 2.3782 3.7617 3.7617 4.1669 4.1669 10.9113 10.9113 10.9164 10.9164 11.0807 11.0807 11.2513 11.2513 11.3158 11.3158 11.4680 11.4680 k = 0.5000 0.0251 0.5769 ( 12846 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4700 -21.4700 -21.4700 -21.4700 -11.0378 -11.0378 -10.6964 -10.6964 -10.5684 -10.5684 -10.5587 -10.5587 -10.4884 -10.4884 -10.4650 -10.4650 -6.1641 -6.1641 -6.1629 -6.1629 -5.3025 -5.3025 -5.3012 -5.3012 -5.2899 -5.2899 -5.2865 -5.2865 -1.6564 -1.6564 -1.4779 -1.4779 -0.8141 -0.8141 -0.7597 -0.7597 -0.7224 -0.7224 -0.5469 -0.5469 0.2997 0.2997 0.3894 0.3894 0.4223 0.4223 1.3626 1.3626 1.4012 1.4012 1.5189 1.5189 1.5309 1.5309 1.6141 1.6141 1.8300 1.8300 1.8589 1.8589 2.1042 2.1042 2.1660 2.1660 2.2712 2.2712 2.3048 2.3048 2.3771 2.3771 3.7662 3.7662 4.1661 4.1661 10.8885 10.8885 10.8999 10.8999 11.0741 11.0741 11.2557 11.2557 11.3040 11.3040 11.4650 11.4650 k = 0.5000 0.0377 0.5591 ( 12870 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4700 -21.4700 -21.4700 -21.4700 -11.0386 -11.0386 -10.6969 -10.6969 -10.5673 -10.5673 -10.5578 -10.5578 -10.4882 -10.4882 -10.4652 -10.4652 -6.1644 -6.1644 -6.1632 -6.1632 -5.3033 -5.3033 -5.3019 -5.3019 -5.2899 -5.2899 -5.2865 -5.2865 -1.6535 -1.6535 -1.4785 -1.4785 -0.8229 -0.8229 -0.7577 -0.7577 -0.7200 -0.7200 -0.5474 -0.5474 0.2732 0.2732 0.3969 0.3969 0.4390 0.4390 1.3610 1.3610 1.4046 1.4046 1.5104 1.5104 1.5255 1.5255 1.6251 1.6251 1.8419 1.8419 1.8659 1.8659 2.1048 2.1048 2.1657 2.1657 2.2697 2.2697 2.3032 2.3032 2.3752 2.3752 3.7736 3.7736 4.1649 4.1649 10.8532 10.8532 10.8745 10.8745 11.0629 11.0629 11.2603 11.2603 11.2861 11.2861 11.4593 11.4593 k = 0.5000 0.0502 0.5414 ( 12874 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4700 -21.4700 -21.4700 -21.4700 -11.0398 -11.0398 -10.6976 -10.6976 -10.5659 -10.5659 -10.5565 -10.5565 -10.4880 -10.4880 -10.4655 -10.4655 -6.1648 -6.1648 -6.1636 -6.1636 -5.3044 -5.3044 -5.3028 -5.3028 -5.2898 -5.2898 -5.2866 -5.2866 -1.6495 -1.6495 -1.4793 -1.4793 -0.8343 -0.8343 -0.7553 -0.7553 -0.7172 -0.7172 -0.5480 -0.5480 0.2443 0.2443 0.4049 0.4049 0.4563 0.4563 1.3573 1.3573 1.4102 1.4102 1.5002 1.5002 1.5210 1.5210 1.6388 1.6388 1.8553 1.8553 1.8768 1.8768 2.1056 2.1056 2.1652 2.1652 2.2676 2.2676 2.3011 2.3011 2.3725 2.3725 3.7838 3.7838 4.1631 4.1631 10.8092 10.8092 10.8412 10.8412 11.0474 11.0474 11.2627 11.2627 11.2640 11.2640 11.4498 11.4498 k = 0.5000 0.0628 0.5236 ( 12870 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4700 -21.4700 -21.4700 -21.4700 -11.0412 -11.0412 -10.6984 -10.6984 -10.5641 -10.5641 -10.5550 -10.5550 -10.4877 -10.4877 -10.4659 -10.4659 -6.1653 -6.1653 -6.1641 -6.1641 -5.3058 -5.3058 -5.3039 -5.3039 -5.2897 -5.2897 -5.2866 -5.2866 -1.6444 -1.6444 -1.4803 -1.4803 -0.8475 -0.8475 -0.7525 -0.7525 -0.7143 -0.7143 -0.5486 -0.5486 0.2140 0.2140 0.4141 0.4141 0.4729 0.4729 1.3513 1.3513 1.4168 1.4168 1.4885 1.4885 1.5197 1.5197 1.6544 1.6544 1.8680 1.8680 1.8925 1.8925 2.1065 2.1065 2.1647 2.1647 2.2649 2.2649 2.2985 2.2985 2.3692 2.3692 3.7967 3.7967 4.1609 4.1609 10.7592 10.7592 10.8014 10.8014 11.0283 11.0283 11.2383 11.2383 11.2622 11.2622 11.4357 11.4357 k = 0.5000 0.0753 0.5059 ( 12868 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4700 -21.4700 -21.4700 -21.4700 -11.0429 -11.0429 -10.6994 -10.6994 -10.5619 -10.5619 -10.5531 -10.5531 -10.4874 -10.4874 -10.4664 -10.4664 -6.1660 -6.1660 -6.1646 -6.1646 -5.3074 -5.3074 -5.3051 -5.3051 -5.2897 -5.2897 -5.2867 -5.2867 -1.6382 -1.6382 -1.4815 -1.4815 -0.8622 -0.8622 -0.7493 -0.7493 -0.7115 -0.7115 -0.5492 -0.5492 0.1824 0.1824 0.4245 0.4245 0.4884 0.4884 1.3435 1.3435 1.4224 1.4224 1.4762 1.4762 1.5236 1.5236 1.6714 1.6714 1.8798 1.8798 1.9116 1.9116 2.1075 2.1075 2.1641 2.1641 2.2615 2.2615 2.2954 2.2954 2.3650 2.3650 3.8121 3.8121 4.1583 4.1583 10.7052 10.7052 10.7565 10.7565 11.0061 11.0061 11.2110 11.2110 11.2574 11.2574 11.4160 11.4160 k = 0.5000 0.0879 0.4881 ( 12864 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4700 -21.4700 -21.4700 -21.4700 -11.0447 -11.0447 -10.7005 -10.7005 -10.5595 -10.5595 -10.5510 -10.5510 -10.4871 -10.4871 -10.4670 -10.4670 -6.1667 -6.1667 -6.1652 -6.1652 -5.3093 -5.3093 -5.3065 -5.3065 -5.2896 -5.2896 -5.2867 -5.2867 -1.6311 -1.6311 -1.4828 -1.4828 -0.8780 -0.8780 -0.7458 -0.7458 -0.7089 -0.7089 -0.5497 -0.5497 0.1500 0.1500 0.4359 0.4359 0.5026 0.5026 1.3344 1.3344 1.4256 1.4256 1.4639 1.4639 1.5339 1.5339 1.6896 1.6896 1.8917 1.8917 1.9324 1.9324 2.1085 2.1085 2.1634 2.1634 2.2576 2.2576 2.2919 2.2919 2.3602 2.3602 3.8296 3.8296 4.1553 4.1553 10.6489 10.6489 10.7079 10.7079 10.9817 10.9817 11.1826 11.1826 11.2487 11.2487 11.3905 11.3905 k = 0.5000 0.1004 0.4704 ( 12866 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4700 -21.4700 -21.4700 -21.4700 -11.0468 -11.0468 -10.7017 -10.7017 -10.5568 -10.5568 -10.5487 -10.5487 -10.4867 -10.4867 -10.4677 -10.4677 -6.1675 -6.1675 -6.1659 -6.1659 -5.3114 -5.3114 -5.3080 -5.3080 -5.2895 -5.2895 -5.2868 -5.2868 -1.6232 -1.6232 -1.4844 -1.4844 -0.8945 -0.8945 -0.7420 -0.7420 -0.7066 -0.7066 -0.5501 -0.5501 0.1171 0.1171 0.4481 0.4481 0.5154 0.5154 1.3243 1.3243 1.4260 1.4260 1.4524 1.4524 1.5503 1.5503 1.7088 1.7088 1.9038 1.9038 1.9537 1.9537 2.1096 2.1096 2.1626 2.1626 2.2529 2.2529 2.2883 2.2883 2.3546 2.3546 3.8491 3.8491 4.1519 4.1519 10.5914 10.5914 10.6568 10.6568 10.9557 10.9557 11.1538 11.1538 11.2365 11.2365 11.3594 11.3594 k = 0.5000 0.1130 0.4526 ( 12880 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4700 -21.4700 -21.4700 -21.4700 -11.0490 -11.0490 -10.7029 -10.7029 -10.5540 -10.5540 -10.5462 -10.5462 -10.4864 -10.4864 -10.4684 -10.4684 -6.1685 -6.1685 -6.1666 -6.1666 -5.3136 -5.3136 -5.3096 -5.3096 -5.2895 -5.2895 -5.2869 -5.2869 -1.6145 -1.6145 -1.4861 -1.4861 -0.9115 -0.9115 -0.7381 -0.7381 -0.7045 -0.7045 -0.5503 -0.5503 0.0838 0.0838 0.4609 0.4609 0.5268 0.5268 1.3136 1.3136 1.4242 1.4242 1.4419 1.4419 1.5716 1.5716 1.7287 1.7287 1.9163 1.9163 1.9745 1.9745 2.1106 2.1106 2.1619 2.1619 2.2476 2.2476 2.2845 2.2845 2.3484 2.3484 3.8702 3.8702 4.1482 4.1482 10.5338 10.5338 10.6043 10.6043 10.9286 10.9286 11.1251 11.1251 11.2214 11.2214 11.3232 11.3232 k = 0.5000 0.1255 0.4349 ( 12874 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4700 -21.4700 -21.4700 -21.4700 -11.0512 -11.0512 -10.7042 -10.7042 -10.5509 -10.5509 -10.5436 -10.5436 -10.4860 -10.4860 -10.4693 -10.4693 -6.1694 -6.1694 -6.1674 -6.1674 -5.3159 -5.3159 -5.3113 -5.3113 -5.2894 -5.2894 -5.2870 -5.2870 -1.6052 -1.6052 -1.4879 -1.4879 -0.9286 -0.9286 -0.7341 -0.7341 -0.7027 -0.7027 -0.5503 -0.5503 0.0507 0.0507 0.4740 0.4740 0.5369 0.5369 1.3026 1.3026 1.4210 1.4210 1.4327 1.4327 1.5966 1.5966 1.7494 1.7494 1.9289 1.9289 1.9944 1.9944 2.1116 2.1116 2.1610 2.1610 2.2417 2.2417 2.2807 2.2807 2.3415 2.3415 3.8925 3.8925 4.1443 4.1443 10.4768 10.4768 10.5514 10.5514 10.9012 10.9012 11.0971 11.0971 11.2041 11.2041 11.2832 11.2832 k = 0.5000 0.1381 0.4171 ( 12884 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4700 -21.4700 -21.4700 -21.4700 -11.0535 -11.0535 -10.7054 -10.7054 -10.5478 -10.5478 -10.5409 -10.5409 -10.4857 -10.4857 -10.4702 -10.4702 -6.1704 -6.1704 -6.1681 -6.1681 -5.3182 -5.3182 -5.3130 -5.3130 -5.2894 -5.2894 -5.2871 -5.2871 -1.5953 -1.5953 -1.4899 -1.4899 -0.9454 -0.9454 -0.7300 -0.7300 -0.7011 -0.7011 -0.5500 -0.5500 0.0179 0.0179 0.4872 0.4872 0.5458 0.5458 1.2915 1.2915 1.4172 1.4172 1.4250 1.4250 1.6239 1.6239 1.7707 1.7707 1.9417 1.9417 2.0128 2.0128 2.1126 2.1126 2.1601 2.1601 2.2350 2.2350 2.2770 2.2770 2.3340 2.3340 3.9156 3.9156 4.1402 4.1402 10.4213 10.4213 10.4989 10.4989 10.8738 10.8738 11.0701 11.0701 11.1852 11.1852 11.2408 11.2408 k = 0.5000 0.1506 0.3994 ( 12890 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4700 -21.4700 -21.4700 -21.4700 -11.0558 -11.0558 -10.7067 -10.7067 -10.5445 -10.5445 -10.5381 -10.5381 -10.4854 -10.4854 -10.4712 -10.4712 -6.1714 -6.1714 -6.1689 -6.1689 -5.3205 -5.3205 -5.3148 -5.3148 -5.2894 -5.2894 -5.2873 -5.2873 -1.5852 -1.5852 -1.4919 -1.4919 -0.9619 -0.9619 -0.7261 -0.7261 -0.6997 -0.6997 -0.5496 -0.5496 -0.0142 -0.0142 0.5003 0.5003 0.5534 0.5534 1.2805 1.2805 1.4129 1.4129 1.4188 1.4188 1.6525 1.6525 1.7926 1.7926 1.9543 1.9543 2.0296 2.0296 2.1136 2.1136 2.1590 2.1590 2.2276 2.2276 2.2734 2.2734 2.3263 2.3263 3.9391 3.9391 4.1360 4.1360 10.3678 10.3678 10.4477 10.4477 10.8469 10.8469 11.0444 11.0444 11.1648 11.1648 11.1978 11.1978 k = 0.5000 0.1632 0.3816 ( 12890 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4700 -21.4700 -21.4700 -21.4700 -11.0581 -11.0581 -10.7079 -10.7079 -10.5412 -10.5412 -10.5354 -10.5354 -10.4852 -10.4852 -10.4722 -10.4722 -6.1724 -6.1724 -6.1697 -6.1697 -5.3228 -5.3228 -5.3165 -5.3165 -5.2893 -5.2893 -5.2874 -5.2874 -1.5749 -1.5749 -1.4939 -1.4939 -0.9776 -0.9776 -0.7223 -0.7223 -0.6985 -0.6985 -0.5489 -0.5489 -0.0453 -0.0453 0.5130 0.5130 0.5600 0.5600 1.2699 1.2699 1.4086 1.4086 1.4139 1.4139 1.6818 1.6818 1.8151 1.8151 1.9667 1.9667 2.0442 2.0442 2.1147 2.1147 2.1575 2.1575 2.2197 2.2197 2.2699 2.2699 2.3184 2.3184 3.9626 3.9626 4.1317 4.1317 10.3169 10.3169 10.3984 10.3984 10.8209 10.8209 11.0203 11.0203 11.1408 11.1408 11.1583 11.1583 k = 0.5000 0.1757 0.3639 ( 12890 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4700 -21.4700 -21.4700 -21.4700 -11.0603 -11.0603 -10.7091 -10.7091 -10.5380 -10.5380 -10.5327 -10.5327 -10.4851 -10.4851 -10.4733 -10.4733 -6.1734 -6.1734 -6.1704 -6.1704 -5.3251 -5.3251 -5.3182 -5.3182 -5.2893 -5.2893 -5.2875 -5.2875 -1.5646 -1.5646 -1.4960 -1.4960 -0.9924 -0.9924 -0.7187 -0.7187 -0.6973 -0.6973 -0.5481 -0.5481 -0.0749 -0.0749 0.5251 0.5251 0.5656 0.5656 1.2598 1.2598 1.4048 1.4048 1.4100 1.4100 1.7108 1.7108 1.8381 1.8381 1.9787 1.9787 2.0567 2.0567 2.1162 2.1162 2.1554 2.1554 2.2111 2.2111 2.2661 2.2661 2.3109 2.3109 3.9856 3.9856 4.1275 4.1275 10.2693 10.2693 10.3518 10.3518 10.7960 10.7960 10.9980 10.9980 11.1057 11.1057 11.1316 11.1316 k = 0.5000 0.1883 0.3461 ( 12888 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4700 -21.4700 -21.4700 -21.4700 -11.0623 -11.0623 -10.7102 -10.7102 -10.5348 -10.5348 -10.5301 -10.5301 -10.4852 -10.4852 -10.4743 -10.4743 -6.1744 -6.1744 -6.1711 -6.1711 -5.3272 -5.3272 -5.3198 -5.3198 -5.2893 -5.2893 -5.2876 -5.2876 -1.5545 -1.5545 -1.4980 -1.4980 -1.0061 -1.0061 -0.7155 -0.7155 -0.6961 -0.6961 -0.5472 -0.5472 -0.1028 -0.1028 0.5364 0.5364 0.5703 0.5703 1.2503 1.2503 1.4016 1.4016 1.4067 1.4067 1.7388 1.7388 1.8617 1.8617 1.9900 1.9900 2.0668 2.0668 2.1180 2.1180 2.1527 2.1527 2.2020 2.2020 2.2616 2.2616 2.3044 2.3044 4.0077 4.0077 4.1235 4.1235 10.2253 10.2253 10.3085 10.3085 10.7727 10.7727 10.9778 10.9778 11.0670 11.0670 11.1117 11.1117 k = 0.5000 0.2008 0.3284 ( 12884 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4701 -21.4701 -21.4700 -21.4700 -11.0642 -11.0642 -10.7112 -10.7112 -10.5317 -10.5317 -10.5277 -10.5277 -10.4854 -10.4854 -10.4753 -10.4753 -6.1753 -6.1753 -6.1717 -6.1717 -5.3291 -5.3291 -5.3212 -5.3212 -5.2893 -5.2893 -5.2878 -5.2878 -1.5450 -1.5450 -1.4999 -1.4999 -1.0185 -1.0185 -0.7127 -0.7127 -0.6949 -0.6949 -0.5462 -0.5462 -0.1285 -0.1285 0.5468 0.5468 0.5743 0.5743 1.2417 1.2417 1.3991 1.3991 1.4039 1.4039 1.7652 1.7652 1.8858 1.8858 2.0007 2.0007 2.0746 2.0746 2.1205 2.1205 2.1491 2.1491 2.1923 2.1923 2.2557 2.2557 2.2997 2.2997 4.0285 4.0285 4.1196 4.1196 10.1855 10.1855 10.2689 10.2689 10.7512 10.7512 10.9598 10.9598 11.0305 11.0305 11.0939 11.0939 k = 0.5000 0.2134 0.3106 ( 12894 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4701 -21.4701 -21.4700 -21.4700 -11.0659 -11.0659 -10.7121 -10.7121 -10.5287 -10.5287 -10.5254 -10.5254 -10.4857 -10.4857 -10.4762 -10.4762 -6.1761 -6.1761 -6.1723 -6.1723 -5.3309 -5.3309 -5.3226 -5.3226 -5.2893 -5.2893 -5.2879 -5.2879 -1.5361 -1.5361 -1.5016 -1.5016 -1.0295 -1.0295 -0.7104 -0.7104 -0.6937 -0.6937 -0.5453 -0.5453 -0.1518 -0.1518 0.5561 0.5561 0.5775 0.5775 1.2340 1.2340 1.3972 1.3972 1.4016 1.4016 1.7893 1.7893 1.9102 1.9102 2.0106 2.0106 2.0802 2.0802 2.1234 2.1234 2.1447 2.1447 2.1823 2.1823 2.2483 2.2483 2.2971 2.2971 4.0474 4.0474 4.1161 4.1161 10.1501 10.1501 10.2336 10.2336 10.7317 10.7317 10.9442 10.9442 10.9978 10.9978 11.0780 11.0780 k = 0.5000 0.2259 0.2929 ( 12886 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4701 -21.4701 -21.4701 -21.4701 -11.0674 -11.0674 -10.7128 -10.7128 -10.5259 -10.5259 -10.5234 -10.5234 -10.4863 -10.4863 -10.4770 -10.4770 -6.1768 -6.1768 -6.1728 -6.1728 -5.3325 -5.3325 -5.3237 -5.3237 -5.2893 -5.2893 -5.2880 -5.2880 -1.5282 -1.5282 -1.5031 -1.5031 -1.0389 -1.0389 -0.7086 -0.7086 -0.6925 -0.6925 -0.5443 -0.5443 -0.1722 -0.1722 0.5641 0.5641 0.5803 0.5803 1.2273 1.2273 1.3958 1.3958 1.3997 1.3997 1.8107 1.8107 1.9348 1.9348 2.0195 2.0195 2.0835 2.0835 2.1266 2.1266 2.1399 2.1399 2.1721 2.1721 2.2397 2.2397 2.2963 2.2963 4.0642 4.0642 4.1130 4.1130 10.1196 10.1196 10.2030 10.2030 10.7146 10.7146 10.9309 10.9309 10.9694 10.9694 11.0641 11.0641 k = 0.5000 0.2385 0.2751 ( 12886 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4701 -21.4701 -21.4701 -21.4701 -11.0686 -11.0686 -10.7135 -10.7135 -10.5235 -10.5235 -10.5217 -10.5217 -10.4869 -10.4869 -10.4776 -10.4776 -6.1774 -6.1774 -6.1733 -6.1733 -5.3338 -5.3338 -5.3247 -5.3247 -5.2892 -5.2892 -5.2880 -5.2880 -1.5215 -1.5215 -1.5042 -1.5042 -1.0468 -1.0468 -0.7072 -0.7072 -0.6914 -0.6914 -0.5434 -0.5434 -0.1894 -0.1894 0.5706 0.5706 0.5826 0.5826 1.2217 1.2217 1.3948 1.3948 1.3982 1.3982 1.8288 1.8288 1.9591 1.9591 2.0275 2.0275 2.0848 2.0848 2.1279 2.1279 2.1364 2.1364 2.1624 2.1624 2.2305 2.2305 2.2966 2.2966 4.0784 4.0784 4.1103 4.1103 10.0942 10.0942 10.1774 10.1774 10.7000 10.7000 10.9201 10.9201 10.9460 10.9460 11.0522 11.0522 k = 0.5000 0.2510 0.2574 ( 12888 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4701 -21.4701 -21.4701 -21.4701 -11.0696 -11.0696 -10.7140 -10.7140 -10.5214 -10.5214 -10.5204 -10.5204 -10.4877 -10.4877 -10.4781 -10.4781 -6.1779 -6.1779 -6.1736 -6.1736 -5.3348 -5.3348 -5.3255 -5.3255 -5.2892 -5.2892 -5.2881 -5.2881 -1.5163 -1.5163 -1.5049 -1.5049 -1.0529 -1.0529 -0.7062 -0.7062 -0.6904 -0.6904 -0.5427 -0.5427 -0.2031 -0.2031 0.5755 0.5755 0.5846 0.5846 1.2173 1.2173 1.3941 1.3941 1.3971 1.3971 1.8433 1.8433 1.9825 1.9825 2.0345 2.0345 2.0835 2.0835 2.1247 2.1247 2.1356 2.1356 2.1550 2.1550 2.2216 2.2216 2.2974 2.2974 4.0897 4.0897 4.1083 4.1083 10.0743 10.0743 10.1572 10.1572 10.6884 10.6884 10.9115 10.9115 10.9279 10.9279 11.0425 11.0425 k = 0.5000 0.2636 0.2396 ( 12894 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4701 -21.4701 -21.4701 -21.4701 -11.0704 -11.0704 -10.7144 -10.7144 -10.5198 -10.5198 -10.5194 -10.5194 -10.4883 -10.4883 -10.4784 -10.4784 -6.1782 -6.1782 -6.1739 -6.1739 -5.3356 -5.3356 -5.3261 -5.3261 -5.2892 -5.2892 -5.2882 -5.2882 -1.5131 -1.5131 -1.5049 -1.5049 -1.0574 -1.0574 -0.7055 -0.7055 -0.6896 -0.6896 -0.5422 -0.5422 -0.2131 -0.2131 0.5786 0.5786 0.5864 0.5864 1.2141 1.2141 1.3936 1.3936 1.3964 1.3964 1.8539 1.8539 2.0038 2.0038 2.0405 2.0405 2.0790 2.0790 2.1204 2.1204 2.1330 2.1330 2.1528 2.1528 2.2140 2.2140 2.2983 2.2983 4.0976 4.0976 4.1070 4.1070 10.0598 10.0598 10.1426 10.1426 10.6799 10.6799 10.9049 10.9049 10.9155 10.9155 11.0351 11.0351 k = 0.5000 0.2761 0.2219 ( 12894 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4701 -21.4701 -21.4701 -21.4701 -11.0708 -11.0708 -10.7146 -10.7146 -10.5189 -10.5189 -10.5186 -10.5186 -10.4888 -10.4888 -10.4785 -10.4785 -6.1784 -6.1784 -6.1740 -6.1740 -5.3360 -5.3360 -5.3264 -5.3264 -5.2892 -5.2892 -5.2882 -5.2882 -1.5116 -1.5116 -1.5043 -1.5043 -1.0600 -1.0600 -0.7052 -0.7052 -0.6891 -0.6891 -0.5418 -0.5418 -0.2192 -0.2192 0.5803 0.5803 0.5876 0.5876 1.2122 1.2122 1.3933 1.3933 1.3960 1.3960 1.8603 1.8603 2.0206 2.0206 2.0461 2.0461 2.0712 2.0712 2.1174 2.1174 2.1292 2.1292 2.1540 2.1540 2.2085 2.2085 2.2990 2.2990 4.1018 4.1018 4.1070 4.1070 10.0511 10.0511 10.1338 10.1338 10.6747 10.6747 10.9002 10.9002 10.9089 10.9089 11.0301 11.0301 k = 0.5000 0.2887 0.2041 ( 12860 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4701 -21.4701 -21.4701 -21.4701 -11.0709 -11.0709 -10.7147 -10.7147 -10.5186 -10.5186 -10.5183 -10.5183 -10.4890 -10.4890 -10.4786 -10.4786 -6.1785 -6.1785 -6.1741 -6.1741 -5.3362 -5.3362 -5.3265 -5.3265 -5.2892 -5.2892 -5.2882 -5.2882 -1.5112 -1.5112 -1.5040 -1.5040 -1.0609 -1.0609 -0.7050 -0.7050 -0.6889 -0.6889 -0.5417 -0.5417 -0.2212 -0.2212 0.5808 0.5808 0.5881 0.5881 1.2115 1.2115 1.3932 1.3932 1.3959 1.3959 1.8625 1.8625 2.0274 2.0274 2.0504 2.0504 2.0650 2.0650 2.1163 2.1163 2.1276 2.1276 2.1549 2.1549 2.2065 2.2065 2.2993 2.2993 4.1027 4.1027 4.1075 4.1075 10.0482 10.0482 10.1308 10.1308 10.6729 10.6729 10.8984 10.8984 10.9069 10.9069 11.0282 11.0282 k = 0.5000 0.2887 0.2041 ( 12860 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4701 -21.4701 -21.4701 -21.4701 -11.0709 -11.0709 -10.7147 -10.7147 -10.5186 -10.5186 -10.5183 -10.5183 -10.4890 -10.4890 -10.4786 -10.4786 -6.1785 -6.1785 -6.1741 -6.1741 -5.3362 -5.3362 -5.3265 -5.3265 -5.2892 -5.2892 -5.2882 -5.2882 -1.5112 -1.5112 -1.5040 -1.5040 -1.0609 -1.0609 -0.7050 -0.7050 -0.6889 -0.6889 -0.5417 -0.5417 -0.2212 -0.2212 0.5808 0.5808 0.5881 0.5881 1.2115 1.2115 1.3932 1.3932 1.3959 1.3959 1.8625 1.8625 2.0274 2.0274 2.0504 2.0504 2.0650 2.0650 2.1163 2.1163 2.1276 2.1276 2.1549 2.1549 2.2065 2.2065 2.2993 2.2993 4.1027 4.1027 4.1075 4.1075 10.0482 10.0482 10.1308 10.1308 10.6729 10.6729 10.8984 10.8984 10.9069 10.9069 11.0282 11.0282 k = 0.4938 0.2851 0.2245 ( 12897 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4701 -21.4701 -21.4701 -21.4701 -11.0708 -11.0708 -10.7146 -10.7146 -10.5189 -10.5189 -10.5186 -10.5186 -10.4888 -10.4888 -10.4785 -10.4785 -6.1784 -6.1784 -6.1740 -6.1740 -5.3360 -5.3360 -5.3264 -5.3264 -5.2892 -5.2892 -5.2882 -5.2882 -1.5116 -1.5116 -1.5043 -1.5043 -1.0600 -1.0600 -0.7052 -0.7052 -0.6891 -0.6891 -0.5418 -0.5418 -0.2192 -0.2192 0.5803 0.5803 0.5877 0.5877 1.2122 1.2122 1.3933 1.3933 1.3960 1.3960 1.8604 1.8604 2.0206 2.0206 2.0461 2.0461 2.0711 2.0711 2.1174 2.1174 2.1292 2.1292 2.1540 2.1540 2.2085 2.2085 2.2990 2.2990 4.1018 4.1018 4.1070 4.1070 10.0511 10.0511 10.1338 10.1338 10.6746 10.6746 10.9002 10.9002 10.9089 10.9089 11.0300 11.0300 k = 0.4875 0.2815 0.2449 ( 12890 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4701 -21.4701 -21.4701 -21.4701 -11.0704 -11.0704 -10.7144 -10.7144 -10.5198 -10.5198 -10.5193 -10.5193 -10.4883 -10.4883 -10.4784 -10.4784 -6.1782 -6.1782 -6.1739 -6.1739 -5.3356 -5.3356 -5.3261 -5.3261 -5.2892 -5.2892 -5.2882 -5.2882 -1.5131 -1.5131 -1.5049 -1.5049 -1.0574 -1.0574 -0.7055 -0.7055 -0.6896 -0.6896 -0.5422 -0.5422 -0.2132 -0.2132 0.5787 0.5787 0.5864 0.5864 1.2141 1.2141 1.3936 1.3936 1.3964 1.3964 1.8539 1.8539 2.0039 2.0039 2.0407 2.0407 2.0789 2.0789 2.1203 2.1203 2.1329 2.1329 2.1529 2.1529 2.2139 2.2139 2.2984 2.2984 4.0977 4.0977 4.1070 4.1070 10.0597 10.0597 10.1425 10.1425 10.6798 10.6798 10.9049 10.9049 10.9154 10.9154 11.0344 11.0344 k = 0.4813 0.2778 0.2654 ( 12885 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4701 -21.4701 -21.4701 -21.4701 -11.0697 -11.0697 -10.7140 -10.7140 -10.5214 -10.5214 -10.5203 -10.5203 -10.4877 -10.4877 -10.4781 -10.4781 -6.1779 -6.1779 -6.1736 -6.1736 -5.3348 -5.3348 -5.3255 -5.3255 -5.2892 -5.2892 -5.2881 -5.2881 -1.5163 -1.5163 -1.5049 -1.5049 -1.0530 -1.0530 -0.7062 -0.7062 -0.6904 -0.6904 -0.5427 -0.5427 -0.2032 -0.2032 0.5755 0.5755 0.5846 0.5846 1.2172 1.2172 1.3941 1.3941 1.3971 1.3971 1.8435 1.8435 1.9823 1.9823 2.0353 2.0353 2.0833 2.0833 2.1245 2.1245 2.1351 2.1351 2.1555 2.1555 2.2215 2.2215 2.2974 2.2974 4.0897 4.0897 4.1083 4.1083 10.0740 10.0740 10.1570 10.1570 10.6882 10.6882 10.9115 10.9115 10.9276 10.9276 11.0400 11.0400 k = 0.4750 0.2742 0.2858 ( 12893 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4701 -21.4701 -21.4701 -21.4701 -11.0687 -11.0687 -10.7135 -10.7135 -10.5235 -10.5235 -10.5216 -10.5216 -10.4870 -10.4870 -10.4776 -10.4776 -6.1774 -6.1774 -6.1733 -6.1733 -5.3338 -5.3338 -5.3247 -5.3247 -5.2892 -5.2892 -5.2880 -5.2880 -1.5215 -1.5215 -1.5042 -1.5042 -1.0469 -1.0469 -0.7072 -0.7072 -0.6914 -0.6914 -0.5434 -0.5434 -0.1896 -0.1896 0.5707 0.5707 0.5826 0.5826 1.2216 1.2216 1.3948 1.3948 1.3982 1.3982 1.8292 1.8292 1.9582 1.9582 2.0298 2.0298 2.0846 2.0846 2.1272 2.1272 2.1347 2.1347 2.1635 2.1635 2.2304 2.2304 2.2966 2.2966 4.0784 4.0784 4.1104 4.1104 10.0939 10.0939 10.1770 10.1770 10.6998 10.6998 10.9201 10.9201 10.9453 10.9453 11.0471 11.0471 k = 0.4688 0.2706 0.3062 ( 12892 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4701 -21.4701 -21.4700 -21.4700 -11.0674 -11.0674 -10.7128 -10.7128 -10.5261 -10.5261 -10.5231 -10.5231 -10.4865 -10.4865 -10.4769 -10.4769 -6.1768 -6.1768 -6.1728 -6.1728 -5.3325 -5.3325 -5.3237 -5.3237 -5.2893 -5.2893 -5.2880 -5.2880 -1.5282 -1.5282 -1.5029 -1.5029 -1.0391 -1.0391 -0.7086 -0.7086 -0.6925 -0.6925 -0.5443 -0.5443 -0.1725 -0.1725 0.5643 0.5643 0.5803 0.5803 1.2271 1.2271 1.3958 1.3958 1.3996 1.3996 1.8115 1.8115 1.9325 1.9325 2.0243 2.0243 2.0837 2.0837 2.1246 2.1246 2.1372 2.1372 2.1739 2.1739 2.2397 2.2397 2.2963 2.2963 4.0641 4.0641 4.1133 4.1133 10.1190 10.1190 10.2024 10.2024 10.7141 10.7141 10.9311 10.9311 10.9681 10.9681 11.0561 11.0561 k = 0.4625 0.2670 0.3266 ( 12893 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4701 -21.4701 -21.4700 -21.4700 -11.0660 -11.0660 -10.7121 -10.7121 -10.5290 -10.5290 -10.5248 -10.5248 -10.4862 -10.4862 -10.4760 -10.4760 -6.1761 -6.1761 -6.1723 -6.1723 -5.3309 -5.3309 -5.3226 -5.3226 -5.2893 -5.2893 -5.2879 -5.2879 -1.5363 -1.5363 -1.5012 -1.5012 -1.0297 -1.0297 -0.7104 -0.7104 -0.6936 -0.6936 -0.5452 -0.5452 -0.1523 -0.1523 0.5564 0.5564 0.5776 0.5776 1.2338 1.2338 1.3972 1.3972 1.4015 1.4015 1.7909 1.7909 1.9057 1.9057 2.0189 2.0189 2.0813 2.0813 2.1195 2.1195 2.1405 2.1405 2.1843 2.1843 2.2491 2.2491 2.2971 2.2971 4.0471 4.0471 4.1168 4.1168 10.1492 10.1492 10.2328 10.2328 10.7308 10.7308 10.9445 10.9445 10.9956 10.9956 11.0671 11.0671 k = 0.4562 0.2634 0.3470 ( 12895 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4701 -21.4701 -21.4700 -21.4700 -11.0643 -11.0643 -10.7112 -10.7112 -10.5322 -10.5322 -10.5267 -10.5267 -10.4862 -10.4862 -10.4748 -10.4748 -6.1753 -6.1753 -6.1718 -6.1718 -5.3292 -5.3292 -5.3213 -5.3213 -5.2893 -5.2893 -5.2877 -5.2877 -1.5454 -1.5454 -1.4991 -1.4991 -1.0189 -1.0189 -0.7128 -0.7128 -0.6947 -0.6947 -0.5462 -0.5462 -0.1293 -0.1293 0.5473 0.5473 0.5743 0.5743 1.2414 1.2414 1.3991 1.3991 1.4037 1.4037 1.7679 1.7679 1.8782 1.8782 2.0137 2.0137 2.0775 2.0775 2.1137 2.1137 2.1428 2.1428 2.1937 2.1937 2.2583 2.2583 2.2995 2.2995 4.0276 4.0276 4.1209 4.1209 10.1840 10.1840 10.2678 10.2678 10.7497 10.7497 10.9599 10.9599 11.0272 11.0272 11.0804 11.0804 k = 0.4500 0.2598 0.3674 ( 12890 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4701 -21.4701 -21.4700 -21.4700 -11.0624 -11.0624 -10.7102 -10.7102 -10.5355 -10.5355 -10.5287 -10.5287 -10.4866 -10.4866 -10.4734 -10.4734 -6.1744 -6.1744 -6.1711 -6.1711 -5.3273 -5.3273 -5.3198 -5.3198 -5.2893 -5.2893 -5.2876 -5.2876 -1.5554 -1.5554 -1.4967 -1.4967 -1.0067 -1.0067 -0.7157 -0.7157 -0.6957 -0.6957 -0.5472 -0.5472 -0.1039 -0.1039 0.5371 0.5371 0.5704 0.5704 1.2499 1.2499 1.4016 1.4016 1.4064 1.4064 1.7429 1.7429 1.8504 1.8504 2.0086 2.0086 2.0725 2.0725 2.1079 2.1079 2.1433 2.1433 2.2015 2.2015 2.2675 2.2675 2.3036 2.3036 4.0060 4.0060 4.1257 4.1257 10.2230 10.2230 10.3072 10.3072 10.7701 10.7701 10.9768 10.9768 11.0624 11.0624 11.0963 11.0963 k = 0.4437 0.2562 0.3878 ( 12890 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4701 -21.4701 -21.4700 -21.4700 -11.0604 -11.0604 -10.7091 -10.7091 -10.5390 -10.5390 -10.5307 -10.5307 -10.4873 -10.4873 -10.4719 -10.4719 -6.1735 -6.1735 -6.1704 -6.1704 -5.3252 -5.3252 -5.3183 -5.3183 -5.2894 -5.2894 -5.2874 -5.2874 -1.5660 -1.5660 -1.4940 -1.4940 -0.9932 -0.9932 -0.7191 -0.7191 -0.6966 -0.6966 -0.5481 -0.5481 -0.0765 -0.0765 0.5261 0.5261 0.5658 0.5658 1.2592 1.2592 1.4047 1.4047 1.4095 1.4095 1.7165 1.7165 1.8224 1.8224 2.0037 2.0037 2.0662 2.0662 2.1023 2.1023 2.1415 2.1415 2.2079 2.2079 2.2770 2.2770 2.3092 2.3092 3.9827 3.9827 4.1310 4.1310 10.2657 10.2657 10.3504 10.3504 10.7919 10.7919 10.9945 10.9945 11.1004 11.1004 11.1154 11.1154 k = 0.4375 0.2526 0.4082 ( 12895 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4701 -21.4701 -21.4700 -21.4700 -11.0583 -11.0583 -10.7079 -10.7079 -10.5424 -10.5424 -10.5328 -10.5328 -10.4884 -10.4884 -10.4702 -10.4702 -6.1725 -6.1725 -6.1697 -6.1697 -5.3230 -5.3230 -5.3166 -5.3166 -5.2894 -5.2894 -5.2873 -5.2873 -1.5771 -1.5771 -1.4909 -1.4909 -0.9788 -0.9788 -0.7229 -0.7229 -0.6973 -0.6973 -0.5489 -0.5489 -0.0475 -0.0475 0.5144 0.5144 0.5604 0.5604 1.2691 1.2691 1.4086 1.4086 1.4132 1.4132 1.6893 1.6893 1.7946 1.7946 1.9988 1.9988 2.0586 2.0586 2.0968 2.0968 2.1374 2.1374 2.2131 2.2131 2.2872 2.2872 2.3158 2.3158 3.9580 3.9580 4.1369 4.1369 10.3111 10.3111 10.3969 10.3969 10.8145 10.8145 11.0122 11.0122 11.1374 11.1374 11.1406 11.1406 k = 0.4313 0.2490 0.4287 ( 12889 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4701 -21.4701 -21.4699 -21.4699 -11.0561 -11.0561 -10.7066 -10.7066 -10.5458 -10.5458 -10.5349 -10.5349 -10.4897 -10.4897 -10.4686 -10.4686 -6.1715 -6.1715 -6.1689 -6.1689 -5.3208 -5.3208 -5.3150 -5.3150 -5.2894 -5.2894 -5.2870 -5.2870 -1.5883 -1.5883 -1.4876 -1.4876 -0.9636 -0.9636 -0.7270 -0.7270 -0.6980 -0.6980 -0.5496 -0.5496 -0.0174 -0.0174 0.5024 0.5024 0.5541 0.5541 1.2793 1.2793 1.4129 1.4129 1.4178 1.4178 1.6618 1.6618 1.7673 1.7673 1.9939 1.9939 2.0500 2.0500 2.0915 2.0915 2.1311 2.1311 2.2176 2.2176 2.2981 2.2981 2.3228 2.3228 3.9322 3.9322 4.1434 4.1434 10.3583 10.3583 10.4465 10.4465 10.8377 10.8377 11.0291 11.0291 11.1640 11.1640 11.1804 11.1804 k = 0.4250 0.2454 0.4491 ( 12883 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4701 -21.4701 -21.4699 -21.4699 -11.0539 -11.0539 -10.7052 -10.7052 -10.5491 -10.5491 -10.5369 -10.5369 -10.4913 -10.4913 -10.4669 -10.4669 -6.1706 -6.1706 -6.1682 -6.1682 -5.3185 -5.3185 -5.3133 -5.3133 -5.2895 -5.2895 -5.2868 -5.2868 -1.5996 -1.5996 -1.4841 -1.4841 -0.9479 -0.9479 -0.7313 -0.7313 -0.6985 -0.6985 -0.5501 -0.5501 0.0132 0.0132 0.4903 0.4903 0.5468 0.5468 1.2895 1.2895 1.4175 1.4175 1.4234 1.4234 1.6347 1.6347 1.7406 1.7406 1.9889 1.9889 2.0403 2.0403 2.0864 2.0864 2.1227 2.1227 2.2217 2.2217 2.3095 2.3095 2.3299 2.3299 3.9058 3.9058 4.1503 4.1503 10.4059 10.4059 10.4987 10.4987 10.8609 10.8609 11.0447 11.0447 11.1939 11.1939 11.2191 11.2191 k = 0.4188 0.2418 0.4695 ( 12880 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4702 -21.4702 -21.4699 -21.4699 -11.0517 -11.0517 -10.7038 -10.7038 -10.5522 -10.5522 -10.5390 -10.5390 -10.4931 -10.4931 -10.4652 -10.4652 -6.1696 -6.1696 -6.1674 -6.1674 -5.3164 -5.3164 -5.3116 -5.3116 -5.2895 -5.2895 -5.2865 -5.2865 -1.6108 -1.6108 -1.4803 -1.4803 -0.9320 -0.9320 -0.7357 -0.7357 -0.6990 -0.6990 -0.5503 -0.5503 0.0438 0.0438 0.4786 0.4786 0.5386 0.5386 1.2993 1.2993 1.4220 1.4220 1.4304 1.4304 1.6089 1.6089 1.7149 1.7149 1.9839 1.9839 2.0299 2.0299 2.0814 2.0814 2.1129 2.1129 2.2255 2.2255 2.3209 2.3209 2.3371 2.3371 3.8792 3.8792 4.1577 4.1577 10.4523 10.4523 10.5531 10.5531 10.8838 10.8838 11.0589 11.0589 11.2267 11.2267 11.2545 11.2545 k = 0.4125 0.2382 0.4899 ( 12871 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4702 -21.4702 -21.4699 -21.4699 -11.0496 -11.0496 -10.7023 -10.7023 -10.5551 -10.5551 -10.5410 -10.5410 -10.4951 -10.4951 -10.4635 -10.4635 -6.1688 -6.1688 -6.1665 -6.1665 -5.3144 -5.3144 -5.3100 -5.3100 -5.2895 -5.2895 -5.2862 -5.2862 -1.6217 -1.6217 -1.4763 -1.4763 -0.9163 -0.9163 -0.7401 -0.7401 -0.6993 -0.6993 -0.5503 -0.5503 0.0736 0.0736 0.4677 0.4677 0.5295 0.5295 1.3082 1.3082 1.4267 1.4267 1.4387 1.4387 1.5851 1.5851 1.6904 1.6904 1.9785 1.9785 2.0191 2.0191 2.0760 2.0760 2.1022 2.1022 2.2290 2.2290 2.3320 2.3320 2.3446 2.3446 3.8528 3.8528 4.1655 4.1655 10.4957 10.4957 10.6093 10.6093 10.9057 10.9057 11.0720 11.0720 11.2619 11.2619 11.2846 11.2846 k = 0.4062 0.2345 0.5103 ( 12872 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4702 -21.4702 -21.4698 -21.4698 -11.0477 -11.0477 -10.7007 -10.7007 -10.5576 -10.5576 -10.5429 -10.5429 -10.4974 -10.4974 -10.4619 -10.4619 -6.1681 -6.1681 -6.1657 -6.1657 -5.3126 -5.3126 -5.3084 -5.3084 -5.2895 -5.2895 -5.2859 -5.2859 -1.6321 -1.6321 -1.4722 -1.4722 -0.9013 -0.9013 -0.7444 -0.7444 -0.6995 -0.6995 -0.5501 -0.5501 0.1019 0.1019 0.4582 0.4582 0.5195 0.5195 1.3152 1.3152 1.4317 1.4317 1.4480 1.4480 1.5644 1.5644 1.6673 1.6673 1.9725 1.9725 2.0084 2.0084 2.0700 2.0700 2.0916 2.0916 2.2323 2.2323 2.3414 2.3414 2.3534 2.3534 3.8268 3.8268 4.1737 4.1737 10.5342 10.5342 10.6668 10.6668 10.9259 10.9259 11.0843 11.0843 11.2986 11.2986 11.3079 11.3079 k = 0.4000 0.2309 0.5307 ( 12878 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4702 -21.4702 -21.4698 -21.4698 -11.0459 -11.0459 -10.6990 -10.6990 -10.5597 -10.5597 -10.5447 -10.5447 -10.4998 -10.4998 -10.4604 -10.4604 -6.1675 -6.1675 -6.1649 -6.1649 -5.3112 -5.3112 -5.3069 -5.3069 -5.2894 -5.2894 -5.2855 -5.2855 -1.6421 -1.6421 -1.4678 -1.4678 -0.8874 -0.8874 -0.7484 -0.7484 -0.6993 -0.6993 -0.5496 -0.5496 0.1277 0.1277 0.4507 0.4507 0.5085 0.5085 1.3196 1.3196 1.4373 1.4373 1.4582 1.4582 1.5476 1.5476 1.6460 1.6460 1.9655 1.9655 1.9985 1.9985 2.0624 2.0624 2.0822 2.0822 2.2353 2.2353 2.3484 2.3484 2.3640 2.3640 3.8017 3.8017 4.1822 4.1822 10.5658 10.5658 10.7246 10.7246 10.9434 10.9434 11.0964 11.0964 11.3232 11.3232 11.3362 11.3362 k = 0.3937 0.2273 0.5511 ( 12860 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4703 -21.4703 -21.4697 -21.4697 -11.0445 -11.0445 -10.6971 -10.6971 -10.5614 -10.5614 -10.5464 -10.5464 -10.5023 -10.5023 -10.4589 -10.4589 -6.1671 -6.1671 -6.1641 -6.1641 -5.3103 -5.3103 -5.3053 -5.3053 -5.2893 -5.2893 -5.2850 -5.2850 -1.6513 -1.6513 -1.4633 -1.4633 -0.8751 -0.8751 -0.7521 -0.7521 -0.6988 -0.6988 -0.5488 -0.5488 0.1503 0.1503 0.4459 0.4459 0.4968 0.4968 1.3206 1.3206 1.4439 1.4439 1.4689 1.4689 1.5353 1.5353 1.6270 1.6270 1.9571 1.9571 1.9900 1.9900 2.0528 2.0528 2.0750 2.0750 2.2379 2.2379 2.3538 2.3538 2.3758 2.3758 3.7779 3.7779 4.1910 4.1910 10.5888 10.5888 10.7815 10.7815 10.9570 10.9570 11.1086 11.1086 11.3305 11.3305 11.3738 11.3738 k = 0.3875 0.2237 0.5715 ( 12858 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4703 -21.4703 -21.4697 -21.4697 -11.0434 -11.0434 -10.6951 -10.6951 -10.5627 -10.5627 -10.5480 -10.5480 -10.5050 -10.5050 -10.4574 -10.4574 -6.1668 -6.1668 -6.1633 -6.1633 -5.3098 -5.3098 -5.3039 -5.3039 -5.2892 -5.2892 -5.2846 -5.2846 -1.6598 -1.6598 -1.4587 -1.4587 -0.8648 -0.8648 -0.7556 -0.7556 -0.6976 -0.6976 -0.5477 -0.5477 0.1685 0.1685 0.4442 0.4442 0.4847 0.4847 1.3179 1.3179 1.4520 1.4520 1.4795 1.4795 1.5272 1.5272 1.6111 1.6111 1.9474 1.9474 1.9831 1.9831 2.0417 2.0417 2.0697 2.0697 2.2402 2.2402 2.3580 2.3580 2.3880 2.3880 3.7556 3.7556 4.2000 4.2000 10.6021 10.6021 10.8361 10.8361 10.9656 10.9656 11.1210 11.1210 11.3294 11.3294 11.4110 11.4110 k = 0.3812 0.2201 0.5920 ( 12852 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4704 -21.4704 -21.4696 -21.4696 -11.0427 -11.0427 -10.6929 -10.6929 -10.5636 -10.5636 -10.5495 -10.5495 -10.5078 -10.5078 -10.4560 -10.4560 -6.1667 -6.1667 -6.1626 -6.1626 -5.3097 -5.3097 -5.3026 -5.3026 -5.2891 -5.2891 -5.2840 -5.2840 -1.6675 -1.6675 -1.4540 -1.4540 -0.8568 -0.8568 -0.7591 -0.7591 -0.6958 -0.6958 -0.5464 -0.5464 0.1820 0.1820 0.4453 0.4453 0.4729 0.4729 1.3122 1.3122 1.4617 1.4617 1.4890 1.4890 1.5228 1.5228 1.5992 1.5992 1.9370 1.9370 1.9776 1.9776 2.0304 2.0304 2.0656 2.0656 2.2422 2.2422 2.3615 2.3615 2.4002 2.4002 3.7351 3.7351 4.2092 4.2092 10.6046 10.6046 10.8864 10.8864 10.9683 10.9683 11.1334 11.1334 11.3204 11.3204 11.4474 11.4474 k = 0.3750 0.2165 0.6124 ( 12858 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4704 -21.4704 -21.4696 -21.4696 -11.0424 -11.0424 -10.6905 -10.6905 -10.5640 -10.5640 -10.5508 -10.5508 -10.5106 -10.5106 -10.4547 -10.4547 -6.1668 -6.1668 -6.1620 -6.1620 -5.3100 -5.3100 -5.3015 -5.3015 -5.2890 -5.2890 -5.2835 -5.2835 -1.6742 -1.6742 -1.4492 -1.4492 -0.8511 -0.8511 -0.7627 -0.7627 -0.6933 -0.6933 -0.5448 -0.5448 0.1905 0.1905 0.4449 0.4449 0.4656 0.4656 1.3049 1.3049 1.4727 1.4727 1.4955 1.4955 1.5218 1.5218 1.5926 1.5926 1.9269 1.9269 1.9729 1.9729 2.0198 2.0198 2.0622 2.0622 2.2438 2.2438 2.3643 2.3643 2.4124 2.4124 3.7168 3.7168 4.2185 4.2185 10.5962 10.5962 10.9296 10.9296 10.9655 10.9655 11.1448 11.1448 11.3040 11.3040 11.4828 11.4828 k = 0.6250-0.0722 0.4082 ( 12858 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4704 -21.4704 -21.4696 -21.4696 -11.0424 -11.0424 -10.6905 -10.6905 -10.5640 -10.5640 -10.5508 -10.5508 -10.5106 -10.5106 -10.4547 -10.4547 -6.1668 -6.1668 -6.1620 -6.1620 -5.3100 -5.3100 -5.3015 -5.3015 -5.2890 -5.2890 -5.2835 -5.2835 -1.6742 -1.6742 -1.4492 -1.4492 -0.8511 -0.8511 -0.7627 -0.7627 -0.6933 -0.6933 -0.5448 -0.5448 0.1905 0.1905 0.4449 0.4449 0.4656 0.4656 1.3049 1.3049 1.4727 1.4727 1.4955 1.4955 1.5218 1.5218 1.5926 1.5926 1.9269 1.9269 1.9729 1.9729 2.0198 2.0198 2.0622 2.0622 2.2438 2.2438 2.3643 2.3643 2.4124 2.4124 3.7168 3.7168 4.2185 4.2185 10.5962 10.5962 10.9296 10.9296 10.9655 10.9655 11.1448 11.1448 11.3040 11.3040 11.4828 11.4828 k = 0.6146-0.0902 0.4082 ( 12854 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4705 -21.4705 -21.4695 -21.4695 -11.0425 -11.0425 -10.6858 -10.6858 -10.5643 -10.5643 -10.5527 -10.5527 -10.5156 -10.5156 -10.4527 -10.4527 -6.1671 -6.1671 -6.1610 -6.1610 -5.3109 -5.3109 -5.3000 -5.3000 -5.2890 -5.2890 -5.2826 -5.2826 -1.6844 -1.6844 -1.4411 -1.4411 -0.8443 -0.8443 -0.7690 -0.7690 -0.6886 -0.6886 -0.5420 -0.5420 0.2008 0.2008 0.4270 0.4270 0.4728 0.4728 1.2925 1.2925 1.4902 1.4902 1.5029 1.5029 1.5248 1.5248 1.5872 1.5872 1.9107 1.9107 1.9648 1.9648 2.0040 2.0040 2.0577 2.0577 2.2463 2.2463 2.3683 2.3683 2.4320 2.4320 3.6885 3.6885 4.2340 4.2340 10.5723 10.5723 10.9456 10.9456 10.9935 10.9935 11.1689 11.1689 11.2722 11.2722 11.5405 11.5405 k = 0.6042-0.1083 0.4082 ( 12844 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4706 -21.4706 -21.4694 -21.4694 -11.0429 -11.0429 -10.6806 -10.6806 -10.5648 -10.5648 -10.5543 -10.5543 -10.5207 -10.5207 -10.4508 -10.4508 -6.1674 -6.1674 -6.1602 -6.1602 -5.3118 -5.3118 -5.2987 -5.2987 -5.2889 -5.2889 -5.2817 -5.2817 -1.6939 -1.6939 -1.4331 -1.4331 -0.8392 -0.8392 -0.7744 -0.7744 -0.6839 -0.6839 -0.5391 -0.5391 0.2106 0.2106 0.4039 0.4039 0.4848 0.4848 1.2807 1.2807 1.5022 1.5022 1.5119 1.5119 1.5330 1.5330 1.5830 1.5830 1.8950 1.8950 1.9538 1.9538 1.9917 1.9917 2.0542 2.0542 2.2488 2.2488 2.3721 2.3721 2.4507 2.4507 3.6612 3.6612 4.2493 4.2493 10.5472 10.5472 10.9269 10.9269 11.0307 11.0307 11.2102 11.2102 11.2431 11.2431 11.5979 11.5979 k = 0.5938-0.1263 0.4082 ( 12844 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4707 -21.4707 -21.4693 -21.4693 -11.0436 -11.0436 -10.6749 -10.6749 -10.5655 -10.5655 -10.5556 -10.5556 -10.5261 -10.5261 -10.4490 -10.4490 -6.1678 -6.1678 -6.1595 -6.1595 -5.3127 -5.3127 -5.2978 -5.2978 -5.2888 -5.2888 -5.2809 -5.2809 -1.7028 -1.7028 -1.4252 -1.4252 -0.8361 -0.8361 -0.7785 -0.7785 -0.6795 -0.6795 -0.5361 -0.5361 0.2198 0.2198 0.3808 0.3808 0.4968 0.4968 1.2698 1.2698 1.5085 1.5085 1.5210 1.5210 1.5468 1.5468 1.5798 1.5798 1.8801 1.8801 1.9394 1.9394 1.9838 1.9838 2.0517 2.0517 2.2513 2.2513 2.3756 2.3756 2.4681 2.4681 3.6350 3.6350 4.2642 4.2642 10.5218 10.5218 10.9056 10.9056 11.0481 11.0481 11.2168 11.2168 11.2675 11.2675 11.6545 11.6545 k = 0.5833-0.1443 0.4082 ( 12848 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4708 -21.4708 -21.4692 -21.4692 -11.0443 -11.0443 -10.6688 -10.6688 -10.5663 -10.5663 -10.5565 -10.5565 -10.5315 -10.5315 -10.4474 -10.4474 -6.1681 -6.1681 -6.1589 -6.1589 -5.3136 -5.3136 -5.2970 -5.2970 -5.2887 -5.2887 -5.2800 -5.2800 -1.7110 -1.7110 -1.4176 -1.4176 -0.8349 -0.8349 -0.7811 -0.7811 -0.6753 -0.6753 -0.5331 -0.5331 0.2283 0.2283 0.3587 0.3587 0.5081 0.5081 1.2598 1.2598 1.5123 1.5123 1.5299 1.5299 1.5624 1.5624 1.5779 1.5779 1.8660 1.8660 1.9229 1.9229 1.9791 1.9791 2.0501 2.0501 2.2536 2.2536 2.3789 2.3789 2.4841 2.4841 3.6104 3.6104 4.2784 4.2784 10.4967 10.4967 10.8837 10.8837 11.0534 11.0534 11.1932 11.1932 11.3324 11.3324 11.6346 11.6346 k = 0.5729-0.1624 0.4082 ( 12864 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4708 -21.4708 -21.4692 -21.4692 -11.0452 -11.0452 -10.6624 -10.6624 -10.5673 -10.5673 -10.5572 -10.5572 -10.5371 -10.5371 -10.4459 -10.4459 -6.1684 -6.1684 -6.1584 -6.1584 -5.3145 -5.3145 -5.2965 -5.2965 -5.2886 -5.2886 -5.2791 -5.2791 -1.7184 -1.7184 -1.4104 -1.4104 -0.8356 -0.8356 -0.7821 -0.7821 -0.6715 -0.6715 -0.5303 -0.5303 0.2360 0.2360 0.3381 0.3381 0.5186 0.5186 1.2508 1.2508 1.5149 1.5149 1.5390 1.5390 1.5741 1.5741 1.5803 1.5803 1.8528 1.8528 1.9060 1.9060 1.9764 1.9764 2.0494 2.0494 2.2557 2.2557 2.3819 2.3819 2.4985 2.4985 3.5875 3.5875 4.2916 4.2916 10.4728 10.4728 10.8623 10.8623 11.0527 11.0527 11.1724 11.1724 11.3986 11.3986 11.6124 11.6124 k = 0.5625-0.1804 0.4082 ( 12870 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4709 -21.4709 -21.4691 -21.4691 -11.0460 -11.0460 -10.6559 -10.6559 -10.5684 -10.5684 -10.5577 -10.5577 -10.5426 -10.5426 -10.4447 -10.4447 -6.1687 -6.1687 -6.1580 -6.1580 -5.3153 -5.3153 -5.2962 -5.2962 -5.2886 -5.2886 -5.2783 -5.2783 -1.7249 -1.7249 -1.4039 -1.4039 -0.8376 -0.8376 -0.7819 -0.7819 -0.6681 -0.6681 -0.5277 -0.5277 0.2427 0.2427 0.3194 0.3194 0.5279 0.5279 1.2429 1.2429 1.5170 1.5170 1.5478 1.5478 1.5757 1.5757 1.5923 1.5923 1.8405 1.8405 1.8899 1.8899 1.9747 1.9747 2.0496 2.0496 2.2577 2.2577 2.3845 2.3845 2.5112 2.5112 3.5668 3.5668 4.3036 4.3036 10.4506 10.4506 10.8422 10.8422 11.0494 11.0494 11.1543 11.1543 11.4621 11.4621 11.5935 11.5935 k = 0.5521-0.1985 0.4082 ( 12870 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4709 -21.4709 -21.4690 -21.4690 -11.0468 -11.0468 -10.6495 -10.6495 -10.5695 -10.5695 -10.5581 -10.5581 -10.5478 -10.5478 -10.4436 -10.4436 -6.1690 -6.1690 -6.1576 -6.1576 -5.3160 -5.3160 -5.2960 -5.2960 -5.2885 -5.2885 -5.2776 -5.2776 -1.7305 -1.7305 -1.3981 -1.3981 -0.8402 -0.8402 -0.7809 -0.7809 -0.6651 -0.6651 -0.5254 -0.5254 0.2485 0.2485 0.3031 0.3031 0.5361 0.5361 1.2361 1.2361 1.5187 1.5187 1.5555 1.5555 1.5776 1.5776 1.6035 1.6035 1.8292 1.8292 1.8753 1.8753 1.9737 1.9737 2.0504 2.0504 2.2593 2.2593 2.3868 2.3868 2.5221 2.5221 3.5486 3.5486 4.3142 4.3142 10.4308 10.4308 10.8242 10.8242 11.0450 11.0450 11.1391 11.1391 11.5200 11.5200 11.5779 11.5779 k = 0.5417-0.2165 0.4082 ( 12844 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4710 -21.4710 -21.4690 -21.4690 -11.0475 -11.0475 -10.6433 -10.6433 -10.5708 -10.5708 -10.5586 -10.5586 -10.5525 -10.5525 -10.4427 -10.4427 -6.1692 -6.1692 -6.1574 -6.1574 -5.3167 -5.3167 -5.2958 -5.2958 -5.2884 -5.2884 -5.2769 -5.2769 -1.7352 -1.7352 -1.3931 -1.3931 -0.8429 -0.8429 -0.7797 -0.7797 -0.6626 -0.6626 -0.5233 -0.5233 0.2530 0.2530 0.2895 0.2895 0.5430 0.5430 1.2305 1.2305 1.5201 1.5201 1.5609 1.5609 1.5815 1.5815 1.6126 1.6126 1.8188 1.8188 1.8628 1.8628 1.9731 1.9731 2.0518 2.0518 2.2608 2.2608 2.3887 2.3887 2.5311 2.5311 3.5331 3.5331 4.3232 4.3232 10.4140 10.4140 10.8088 10.8088 11.0405 11.0405 11.1266 11.1266 11.5639 11.5639 11.5711 11.5711 k = 0.5312-0.2345 0.4082 ( 12852 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4710 -21.4710 -21.4690 -21.4690 -11.0482 -11.0482 -10.6377 -10.6377 -10.5721 -10.5721 -10.5597 -10.5597 -10.5558 -10.5558 -10.4420 -10.4420 -6.1694 -6.1694 -6.1572 -6.1572 -5.3172 -5.3172 -5.2958 -5.2958 -5.2884 -5.2884 -5.2764 -5.2764 -1.7388 -1.7388 -1.3891 -1.3891 -0.8453 -0.8453 -0.7786 -0.7786 -0.6607 -0.6607 -0.5217 -0.5217 0.2562 0.2562 0.2790 0.2790 0.5484 0.5484 1.2261 1.2261 1.5211 1.5211 1.5641 1.5641 1.5869 1.5869 1.6195 1.6195 1.8098 1.8098 1.8529 1.8529 1.9727 1.9727 2.0533 2.0533 2.2618 2.2618 2.3902 2.3902 2.5382 2.5382 3.5208 3.5208 4.3303 4.3303 10.4004 10.4004 10.7964 10.7964 11.0365 11.0365 11.1168 11.1168 11.5554 11.5554 11.6078 11.6078 k = 0.5208-0.2526 0.4082 ( 12872 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4710 -21.4710 -21.4690 -21.4690 -11.0486 -11.0486 -10.6331 -10.6331 -10.5735 -10.5735 -10.5617 -10.5617 -10.5570 -10.5570 -10.4415 -10.4415 -6.1695 -6.1695 -6.1570 -6.1570 -5.3176 -5.3176 -5.2957 -5.2957 -5.2884 -5.2884 -5.2760 -5.2760 -1.7415 -1.7415 -1.3862 -1.3862 -0.8472 -0.8472 -0.7777 -0.7777 -0.6593 -0.6593 -0.5205 -0.5205 0.2576 0.2576 0.2723 0.2723 0.5524 0.5524 1.2229 1.2229 1.5218 1.5218 1.5658 1.5658 1.5923 1.5923 1.6242 1.6242 1.8025 1.8025 1.8459 1.8459 1.9725 1.9725 2.0547 2.0547 2.2626 2.2626 2.3912 2.3912 2.5433 2.5433 3.5117 3.5117 4.3355 4.3355 10.3904 10.3904 10.7874 10.7874 11.0334 11.0334 11.1099 11.1099 11.5486 11.5486 11.6317 11.6317 k = 0.5104-0.2706 0.4082 ( 12860 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4710 -21.4710 -21.4689 -21.4689 -11.0489 -11.0489 -10.6300 -10.6300 -10.5748 -10.5748 -10.5633 -10.5633 -10.5573 -10.5573 -10.4412 -10.4412 -6.1696 -6.1696 -6.1570 -6.1570 -5.3178 -5.3178 -5.2957 -5.2957 -5.2883 -5.2883 -5.2758 -5.2758 -1.7431 -1.7431 -1.3844 -1.3844 -0.8484 -0.8484 -0.7771 -0.7771 -0.6584 -0.6584 -0.5197 -0.5197 0.2573 0.2573 0.2695 0.2695 0.5548 0.5548 1.2210 1.2210 1.5222 1.5222 1.5666 1.5666 1.5961 1.5961 1.6270 1.6270 1.7977 1.7977 1.8417 1.8417 1.9724 1.9724 2.0556 2.0556 2.2631 2.2631 2.3919 2.3919 2.5464 2.5464 3.5062 3.5062 4.3387 4.3387 10.3844 10.3844 10.7818 10.7818 11.0314 11.0314 11.1057 11.1057 11.5446 11.5446 11.6431 11.6431 k = 0.5000-0.2887 0.4082 ( 12848 PWs) bands (ev): -82.2263 -82.2263 -50.9921 -50.9921 -46.4998 -46.4998 -46.4998 -46.4998 -21.4710 -21.4710 -21.4689 -21.4689 -11.0490 -11.0490 -10.6289 -10.6289 -10.5753 -10.5753 -10.5638 -10.5638 -10.5574 -10.5574 -10.4411 -10.4411 -6.1696 -6.1696 -6.1569 -6.1569 -5.3179 -5.3179 -5.2957 -5.2957 -5.2883 -5.2883 -5.2757 -5.2757 -1.7436 -1.7436 -1.3838 -1.3838 -0.8488 -0.8488 -0.7769 -0.7769 -0.6581 -0.6581 -0.5195 -0.5195 0.2568 0.2568 0.2688 0.2688 0.5556 0.5556 1.2203 1.2203 1.5224 1.5224 1.5668 1.5668 1.5975 1.5975 1.6279 1.6279 1.7960 1.7960 1.8403 1.8403 1.9724 1.9724 2.0560 2.0560 2.2633 2.2633 2.3921 2.3921 2.5474 2.5474 3.5044 3.5044 4.3398 4.3398 10.3823 10.3823 10.7800 10.7800 11.0308 11.0308 11.1043 11.1043 11.5432 11.5432 11.6462 11.6462 Writing output data file Rb2PdCl6.save init_run : 0.80s CPU 1.17s WALL ( 1 calls) electrons : 487.19s CPU 491.77s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.08s CPU 0.24s WALL ( 1 calls) Called by electrons: c_bands : 487.18s CPU 491.76s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.02s WALL ( 1 calls) newd : 0.22s CPU 0.35s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.07s CPU 0.13s WALL ( 219 calls) cegterg : 453.34s CPU 456.99s WALL ( 439 calls) Called by sum_band: Called by *egterg: h_psi : 268.22s CPU 271.71s WALL ( 6517 calls) s_psi : 18.75s CPU 19.01s WALL ( 6517 calls) g_psi : 0.47s CPU 0.46s WALL ( 5859 calls) cdiaghg : 141.88s CPU 142.30s WALL ( 6078 calls) cegterg:over : 21.47s CPU 21.36s WALL ( 5859 calls) cegterg:upda : 14.92s CPU 14.99s WALL ( 5859 calls) cegterg:last : 8.37s CPU 8.37s WALL ( 877 calls) cdiaghg:chol : 5.87s CPU 6.10s WALL ( 6078 calls) cdiaghg:inve : 4.54s CPU 4.47s WALL ( 6078 calls) cdiaghg:para : 9.42s CPU 9.34s WALL ( 12156 calls) Called by h_psi: h_psi:vloc : 226.97s CPU 230.38s WALL ( 6517 calls) h_psi:vnl : 40.80s CPU 40.85s WALL ( 6517 calls) add_vuspsi : 22.06s CPU 21.94s WALL ( 6517 calls) General routines calbec : 18.71s CPU 18.89s WALL ( 6517 calls) fft : 0.05s CPU 0.04s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 212.34s CPU 215.61s WALL ( 1016016 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.24s CPU 0.38s WALL ( 438 calls) Parallel routines fft_scatter : 128.21s CPU 130.95s WALL ( 1016039 calls) PWSCF : 9m 4.66s CPU 9m25.68s WALL This run was terminated on: 9:43:20 31Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=