Program PWSCF v.5.3.0 (svn rev. 11974) starts on 31Jan2017 at 8:19:25 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: ./PtxNCl3x2.save/ file Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D 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 71 30 8 3392 924 135 Max 72 31 9 3397 950 140 Sum 5161 2197 595 244433 67529 9841 bravais-lattice index = 14 lattice parameter (alat) = 13.1406 a.u. unit-cell volume = 1604.4535 (a.u.)^3 number of atoms/cell = 9 number of atomic types = 3 number of electrons = 62.00 number of Kohn-Sham states= 74 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 433.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 13.140565 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 Pt read from file: /users/gautes/Pseudo/Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5a767c0d250ba2b616d7addddc548ecc Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1277 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 N read from file: /users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Cl 7.00 35.45300 Cl( 1.00) Pt 10.00 195.08400 Pt( 1.00) N 5.00 14.00670 N( 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 0.3308824), 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 0.0441177 0.0882353), wk = 0.0045662 k( 95) = ( 0.0330882 0.0330882 0.0661765), wk = 0.0045662 k( 96) = ( 0.0220588 0.0220588 0.0441177), 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 0.3913044 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: 244433 G-vectors FFT dimensions: ( 90, 90, 90) Smooth grid: 67529 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.26 Mb ( 234, 74) NL pseudopotentials 0.47 Mb ( 117, 266) Each V/rho on FFT grid 0.25 Mb ( 16200) Each G-vector array 0.03 Mb ( 3393) G-vector shells 0.01 Mb ( 1046) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.06 Mb ( 234, 296) Each subspace H/S matrix 0.04 Mb ( 49, 49) Each matrix 0.60 Mb ( 266, 2, 74) The potential is recalculated from file : ./PtxNCl3x2.save/charge-density.dat Starting wfc are 82 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.8 secs Computing kpt #: 2 total cpu time spent up to now is 4.7 secs Computing kpt #: 3 total cpu time spent up to now is 5.6 secs Computing kpt #: 4 total cpu time spent up to now is 6.5 secs Computing kpt #: 5 total cpu time spent up to now is 7.4 secs Computing kpt #: 6 total cpu time spent up to now is 8.3 secs Computing kpt #: 7 total cpu time spent up to now is 9.2 secs Computing kpt #: 8 total cpu time spent up to now is 10.2 secs Computing kpt #: 9 total cpu time spent up to now is 11.1 secs Computing kpt #: 10 total cpu time spent up to now is 12.0 secs Computing kpt #: 11 total cpu time spent up to now is 12.9 secs Computing kpt #: 12 total cpu time spent up to now is 13.8 secs Computing kpt #: 13 total cpu time spent up to now is 14.8 secs Computing kpt #: 14 total cpu time spent up to now is 15.7 secs Computing kpt #: 15 total cpu time spent up to now is 16.6 secs Computing kpt #: 16 total cpu time spent up to now is 17.6 secs Computing kpt #: 17 total cpu time spent up to now is 18.5 secs Computing kpt #: 18 total cpu time spent up to now is 19.4 secs Computing kpt #: 19 total cpu time spent up to now is 20.3 secs Computing kpt #: 20 total cpu time spent up to now is 21.2 secs Computing kpt #: 21 total cpu time spent up to now is 22.1 secs Computing kpt #: 22 total cpu time spent up to now is 23.1 secs Computing kpt #: 23 total cpu time spent up to now is 24.0 secs Computing kpt #: 24 total cpu time spent up to now is 24.9 secs Computing kpt #: 25 total cpu time spent up to now is 25.8 secs Computing kpt #: 26 total cpu time spent up to now is 26.7 secs Computing kpt #: 27 total cpu time spent up to now is 27.6 secs Computing kpt #: 28 total cpu time spent up to now is 28.5 secs Computing kpt #: 29 total cpu time spent up to now is 29.4 secs Computing kpt #: 30 total cpu time spent up to now is 30.4 secs Computing kpt #: 31 total cpu time spent up to now is 31.3 secs Computing kpt #: 32 total cpu time spent up to now is 32.2 secs Computing kpt #: 33 total cpu time spent up to now is 33.1 secs Computing kpt #: 34 total cpu time spent up to now is 34.0 secs Computing kpt #: 35 total cpu time spent up to now is 35.0 secs Computing kpt #: 36 total cpu time spent up to now is 35.9 secs Computing kpt #: 37 total cpu time spent up to now is 36.8 secs Computing kpt #: 38 total cpu time spent up to now is 37.7 secs Computing kpt #: 39 total cpu time spent up to now is 38.6 secs Computing kpt #: 40 total cpu time spent up to now is 39.5 secs Computing kpt #: 41 total cpu time spent up to now is 40.5 secs Computing kpt #: 42 total cpu time spent up to now is 41.4 secs Computing kpt #: 43 total cpu time spent up to now is 42.3 secs Computing kpt #: 44 total cpu time spent up to now is 43.3 secs Computing kpt #: 45 total cpu time spent up to now is 44.2 secs Computing kpt #: 46 total cpu time spent up to now is 45.1 secs Computing kpt #: 47 total cpu time spent up to now is 46.1 secs Computing kpt #: 48 total cpu time spent up to now is 47.0 secs Computing kpt #: 49 total cpu time spent up to now is 47.9 secs Computing kpt #: 50 total cpu time spent up to now is 48.8 secs Computing kpt #: 51 total cpu time spent up to now is 49.8 secs Computing kpt #: 52 total cpu time spent up to now is 50.7 secs Computing kpt #: 53 total cpu time spent up to now is 51.6 secs Computing kpt #: 54 total cpu time spent up to now is 52.5 secs Computing kpt #: 55 total cpu time spent up to now is 53.5 secs Computing kpt #: 56 total cpu time spent up to now is 54.4 secs Computing kpt #: 57 total cpu time spent up to now is 55.3 secs Computing kpt #: 58 total cpu time spent up to now is 56.2 secs Computing kpt #: 59 total cpu time spent up to now is 57.2 secs Computing kpt #: 60 total cpu time spent up to now is 58.1 secs Computing kpt #: 61 total cpu time spent up to now is 59.0 secs Computing kpt #: 62 total cpu time spent up to now is 60.0 secs Computing kpt #: 63 total cpu time spent up to now is 60.9 secs Computing kpt #: 64 total cpu time spent up to now is 61.9 secs Computing kpt #: 65 total cpu time spent up to now is 62.8 secs Computing kpt #: 66 total cpu time spent up to now is 63.7 secs Computing kpt #: 67 total cpu time spent up to now is 64.6 secs Computing kpt #: 68 total cpu time spent up to now is 65.6 secs Computing kpt #: 69 total cpu time spent up to now is 66.6 secs Computing kpt #: 70 total cpu time spent up to now is 67.8 secs Computing kpt #: 71 total cpu time spent up to now is 68.8 secs Computing kpt #: 72 total cpu time spent up to now is 69.7 secs Computing kpt #: 73 total cpu time spent up to now is 70.6 secs Computing kpt #: 74 total cpu time spent up to now is 71.6 secs Computing kpt #: 75 total cpu time spent up to now is 72.5 secs Computing kpt #: 76 total cpu time spent up to now is 73.5 secs Computing kpt #: 77 total cpu time spent up to now is 74.4 secs Computing kpt #: 78 total cpu time spent up to now is 75.4 secs Computing kpt #: 79 total cpu time spent up to now is 76.3 secs Computing kpt #: 80 total cpu time spent up to now is 77.2 secs Computing kpt #: 81 total cpu time spent up to now is 78.1 secs Computing kpt #: 82 total cpu time spent up to now is 79.1 secs Computing kpt #: 83 total cpu time spent up to now is 80.0 secs Computing kpt #: 84 total cpu time spent up to now is 81.0 secs Computing kpt #: 85 total cpu time spent up to now is 81.9 secs Computing kpt #: 86 total cpu time spent up to now is 82.9 secs Computing kpt #: 87 total cpu time spent up to now is 83.8 secs Computing kpt #: 88 total cpu time spent up to now is 84.7 secs Computing kpt #: 89 total cpu time spent up to now is 85.6 secs Computing kpt #: 90 total cpu time spent up to now is 86.5 secs Computing kpt #: 91 total cpu time spent up to now is 87.5 secs Computing kpt #: 92 total cpu time spent up to now is 88.4 secs Computing kpt #: 93 total cpu time spent up to now is 89.3 secs Computing kpt #: 94 total cpu time spent up to now is 90.2 secs Computing kpt #: 95 total cpu time spent up to now is 91.1 secs Computing kpt #: 96 total cpu time spent up to now is 92.0 secs Computing kpt #: 97 total cpu time spent up to now is 92.9 secs Computing kpt #: 98 total cpu time spent up to now is 93.8 secs Computing kpt #: 99 total cpu time spent up to now is 94.8 secs Computing kpt #: 100 total cpu time spent up to now is 95.7 secs Computing kpt #: 101 total cpu time spent up to now is 96.6 secs Computing kpt #: 102 total cpu time spent up to now is 97.5 secs Computing kpt #: 103 total cpu time spent up to now is 98.4 secs Computing kpt #: 104 total cpu time spent up to now is 99.3 secs Computing kpt #: 105 total cpu time spent up to now is 100.2 secs Computing kpt #: 106 total cpu time spent up to now is 101.2 secs Computing kpt #: 107 total cpu time spent up to now is 102.1 secs Computing kpt #: 108 total cpu time spent up to now is 103.0 secs Computing kpt #: 109 total cpu time spent up to now is 103.9 secs Computing kpt #: 110 total cpu time spent up to now is 104.8 secs Computing kpt #: 111 total cpu time spent up to now is 105.8 secs Computing kpt #: 112 total cpu time spent up to now is 106.7 secs Computing kpt #: 113 total cpu time spent up to now is 107.6 secs Computing kpt #: 114 total cpu time spent up to now is 108.6 secs Computing kpt #: 115 total cpu time spent up to now is 109.5 secs Computing kpt #: 116 total cpu time spent up to now is 110.4 secs Computing kpt #: 117 total cpu time spent up to now is 111.3 secs Computing kpt #: 118 total cpu time spent up to now is 112.3 secs Computing kpt #: 119 total cpu time spent up to now is 113.2 secs Computing kpt #: 120 total cpu time spent up to now is 114.1 secs Computing kpt #: 121 total cpu time spent up to now is 115.1 secs Computing kpt #: 122 total cpu time spent up to now is 116.0 secs Computing kpt #: 123 total cpu time spent up to now is 116.9 secs Computing kpt #: 124 total cpu time spent up to now is 117.9 secs Computing kpt #: 125 total cpu time spent up to now is 118.8 secs Computing kpt #: 126 total cpu time spent up to now is 119.7 secs Computing kpt #: 127 total cpu time spent up to now is 120.6 secs Computing kpt #: 128 total cpu time spent up to now is 121.6 secs Computing kpt #: 129 total cpu time spent up to now is 122.5 secs Computing kpt #: 130 total cpu time spent up to now is 123.4 secs Computing kpt #: 131 total cpu time spent up to now is 124.4 secs Computing kpt #: 132 total cpu time spent up to now is 125.3 secs Computing kpt #: 133 total cpu time spent up to now is 126.2 secs Computing kpt #: 134 total cpu time spent up to now is 127.2 secs Computing kpt #: 135 total cpu time spent up to now is 128.1 secs Computing kpt #: 136 total cpu time spent up to now is 129.0 secs Computing kpt #: 137 total cpu time spent up to now is 130.0 secs Computing kpt #: 138 total cpu time spent up to now is 130.9 secs Computing kpt #: 139 total cpu time spent up to now is 131.8 secs Computing kpt #: 140 total cpu time spent up to now is 132.8 secs Computing kpt #: 141 total cpu time spent up to now is 133.7 secs Computing kpt #: 142 total cpu time spent up to now is 134.6 secs Computing kpt #: 143 total cpu time spent up to now is 135.6 secs Computing kpt #: 144 total cpu time spent up to now is 136.5 secs Computing kpt #: 145 total cpu time spent up to now is 137.4 secs Computing kpt #: 146 total cpu time spent up to now is 138.3 secs Computing kpt #: 147 total cpu time spent up to now is 139.3 secs Computing kpt #: 148 total cpu time spent up to now is 140.2 secs Computing kpt #: 149 total cpu time spent up to now is 141.1 secs Computing kpt #: 150 total cpu time spent up to now is 142.1 secs Computing kpt #: 151 total cpu time spent up to now is 143.0 secs Computing kpt #: 152 total cpu time spent up to now is 143.9 secs Computing kpt #: 153 total cpu time spent up to now is 144.9 secs Computing kpt #: 154 total cpu time spent up to now is 145.8 secs Computing kpt #: 155 total cpu time spent up to now is 146.7 secs Computing kpt #: 156 total cpu time spent up to now is 147.6 secs Computing kpt #: 157 total cpu time spent up to now is 148.6 secs Computing kpt #: 158 total cpu time spent up to now is 149.5 secs Computing kpt #: 159 total cpu time spent up to now is 150.4 secs Computing kpt #: 160 total cpu time spent up to now is 151.4 secs Computing kpt #: 161 total cpu time spent up to now is 152.3 secs Computing kpt #: 162 total cpu time spent up to now is 153.2 secs Computing kpt #: 163 total cpu time spent up to now is 154.1 secs Computing kpt #: 164 total cpu time spent up to now is 155.1 secs Computing kpt #: 165 total cpu time spent up to now is 156.0 secs Computing kpt #: 166 total cpu time spent up to now is 156.9 secs Computing kpt #: 167 total cpu time spent up to now is 157.9 secs Computing kpt #: 168 total cpu time spent up to now is 158.8 secs Computing kpt #: 169 total cpu time spent up to now is 159.7 secs Computing kpt #: 170 total cpu time spent up to now is 160.6 secs Computing kpt #: 171 total cpu time spent up to now is 161.6 secs Computing kpt #: 172 total cpu time spent up to now is 162.5 secs Computing kpt #: 173 total cpu time spent up to now is 163.4 secs Computing kpt #: 174 total cpu time spent up to now is 164.4 secs Computing kpt #: 175 total cpu time spent up to now is 165.3 secs Computing kpt #: 176 total cpu time spent up to now is 166.3 secs Computing kpt #: 177 total cpu time spent up to now is 167.2 secs Computing kpt #: 178 total cpu time spent up to now is 168.1 secs Computing kpt #: 179 total cpu time spent up to now is 169.0 secs Computing kpt #: 180 total cpu time spent up to now is 170.0 secs Computing kpt #: 181 total cpu time spent up to now is 170.9 secs Computing kpt #: 182 total cpu time spent up to now is 171.8 secs Computing kpt #: 183 total cpu time spent up to now is 172.8 secs Computing kpt #: 184 total cpu time spent up to now is 173.7 secs Computing kpt #: 185 total cpu time spent up to now is 174.6 secs Computing kpt #: 186 total cpu time spent up to now is 175.5 secs Computing kpt #: 187 total cpu time spent up to now is 176.5 secs Computing kpt #: 188 total cpu time spent up to now is 177.4 secs Computing kpt #: 189 total cpu time spent up to now is 178.3 secs Computing kpt #: 190 total cpu time spent up to now is 179.3 secs Computing kpt #: 191 total cpu time spent up to now is 180.2 secs Computing kpt #: 192 total cpu time spent up to now is 181.1 secs Computing kpt #: 193 total cpu time spent up to now is 182.0 secs Computing kpt #: 194 total cpu time spent up to now is 183.0 secs Computing kpt #: 195 total cpu time spent up to now is 183.9 secs Computing kpt #: 196 total cpu time spent up to now is 184.8 secs Computing kpt #: 197 total cpu time spent up to now is 185.9 secs Computing kpt #: 198 total cpu time spent up to now is 186.8 secs Computing kpt #: 199 total cpu time spent up to now is 187.7 secs Computing kpt #: 200 total cpu time spent up to now is 188.7 secs Computing kpt #: 201 total cpu time spent up to now is 189.6 secs Computing kpt #: 202 total cpu time spent up to now is 190.5 secs Computing kpt #: 203 total cpu time spent up to now is 191.4 secs Computing kpt #: 204 total cpu time spent up to now is 192.4 secs Computing kpt #: 205 total cpu time spent up to now is 193.3 secs Computing kpt #: 206 total cpu time spent up to now is 194.2 secs Computing kpt #: 207 total cpu time spent up to now is 195.2 secs Computing kpt #: 208 total cpu time spent up to now is 196.1 secs Computing kpt #: 209 total cpu time spent up to now is 197.0 secs Computing kpt #: 210 total cpu time spent up to now is 197.9 secs Computing kpt #: 211 total cpu time spent up to now is 198.8 secs Computing kpt #: 212 total cpu time spent up to now is 199.8 secs Computing kpt #: 213 total cpu time spent up to now is 200.7 secs Computing kpt #: 214 total cpu time spent up to now is 201.6 secs Computing kpt #: 215 total cpu time spent up to now is 202.5 secs Computing kpt #: 216 total cpu time spent up to now is 203.5 secs Computing kpt #: 217 total cpu time spent up to now is 204.4 secs Computing kpt #: 218 total cpu time spent up to now is 205.3 secs Computing kpt #: 219 total cpu time spent up to now is 206.2 secs ethr = 1.61E-08, avg # of iterations = 10.0 total cpu time spent up to now is 206.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 8393 PWs) bands (ev): -13.8820 -13.8820 -13.0736 -13.0736 -13.0304 -13.0304 -13.0304 -13.0304 -13.0090 -13.0090 -13.0090 -13.0090 -11.0025 -11.0025 -10.9764 -10.9764 -4.6012 -4.6012 -4.4925 -4.4925 -4.4925 -4.4925 -3.6083 -3.6083 -3.6083 -3.6083 -3.3330 -3.3330 -2.6406 -2.6406 -2.4232 -2.4232 -2.4232 -2.4232 -0.7738 -0.7738 -0.7738 -0.7738 -0.4701 -0.4701 -0.4014 -0.4014 -0.3990 -0.3990 -0.3990 -0.3990 -0.3350 -0.3350 -0.3078 -0.3078 -0.3078 -0.3078 0.3250 0.3250 0.3961 0.3961 0.3961 0.3961 0.8798 0.8798 0.9249 0.9249 0.9249 0.9249 1.0316 1.0316 1.0316 1.0316 1.0966 1.0966 2.8102 2.8102 2.8102 2.8102 k = 0.0156-0.0090 0.0128 ( 8409 PWs) bands (ev): -13.8816 -13.8816 -13.0739 -13.0739 -13.0314 -13.0314 -13.0304 -13.0304 -13.0090 -13.0090 -13.0082 -13.0082 -11.0025 -11.0025 -10.9765 -10.9765 -4.6000 -4.6000 -4.4932 -4.4932 -4.4925 -4.4925 -3.6083 -3.6083 -3.6081 -3.6081 -3.3326 -3.3326 -2.6398 -2.6398 -2.4226 -2.4226 -2.4219 -2.4219 -0.7756 -0.7756 -0.7739 -0.7739 -0.4700 -0.4700 -0.4178 -0.4178 -0.3978 -0.3978 -0.3892 -0.3892 -0.3308 -0.3308 -0.3085 -0.3085 -0.3049 -0.3049 0.3240 0.3240 0.3947 0.3947 0.3956 0.3956 0.8792 0.8792 0.9239 0.9239 0.9246 0.9246 1.0308 1.0308 1.0312 1.0312 1.0960 1.0960 2.8082 2.8082 2.8102 2.8102 k = 0.0312-0.0180 0.0255 ( 8436 PWs) bands (ev): -13.8806 -13.8806 -13.0745 -13.0745 -13.0340 -13.0340 -13.0304 -13.0304 -13.0091 -13.0091 -13.0063 -13.0063 -11.0026 -11.0026 -10.9766 -10.9766 -4.5966 -4.5966 -4.4954 -4.4954 -4.4924 -4.4924 -3.6084 -3.6084 -3.6076 -3.6076 -3.3314 -3.3314 -2.6372 -2.6372 -2.4208 -2.4208 -2.4180 -2.4180 -0.7809 -0.7809 -0.7742 -0.7742 -0.4697 -0.4697 -0.4390 -0.4390 -0.3944 -0.3944 -0.3849 -0.3849 -0.3237 -0.3237 -0.3103 -0.3103 -0.2938 -0.2938 0.3213 0.3213 0.3906 0.3906 0.3944 0.3944 0.8774 0.8774 0.9211 0.9211 0.9238 0.9238 1.0284 1.0284 1.0301 1.0301 1.0945 1.0945 2.8022 2.8022 2.8102 2.8102 k = 0.0469-0.0271 0.0383 ( 8448 PWs) bands (ev): -13.8788 -13.8788 -13.0757 -13.0757 -13.0375 -13.0375 -13.0303 -13.0303 -13.0092 -13.0092 -13.0039 -13.0039 -11.0027 -11.0027 -10.9769 -10.9769 -4.5909 -4.5909 -4.4990 -4.4990 -4.4923 -4.4923 -3.6084 -3.6084 -3.6066 -3.6066 -3.3293 -3.3293 -2.6330 -2.6330 -2.4178 -2.4178 -2.4115 -2.4115 -0.7894 -0.7894 -0.7748 -0.7748 -0.4697 -0.4697 -0.4612 -0.4612 -0.3889 -0.3889 -0.3844 -0.3844 -0.3193 -0.3193 -0.3130 -0.3130 -0.2743 -0.2743 0.3165 0.3165 0.3838 0.3838 0.3925 0.3925 0.8743 0.8743 0.9166 0.9166 0.9225 0.9225 1.0244 1.0244 1.0284 1.0284 1.0920 1.0920 2.7923 2.7923 2.8101 2.8101 k = 0.0625-0.0361 0.0510 ( 8468 PWs) bands (ev): -13.8764 -13.8764 -13.0774 -13.0774 -13.0414 -13.0414 -13.0302 -13.0302 -13.0094 -13.0094 -13.0015 -13.0015 -11.0029 -11.0029 -10.9773 -10.9773 -4.5834 -4.5834 -4.5036 -4.5036 -4.4922 -4.4922 -3.6083 -3.6083 -3.6053 -3.6053 -3.3265 -3.3265 -2.6272 -2.6272 -2.4136 -2.4136 -2.4024 -2.4024 -0.8006 -0.8006 -0.7761 -0.7761 -0.4829 -0.4829 -0.4705 -0.4705 -0.3858 -0.3858 -0.3819 -0.3819 -0.3164 -0.3164 -0.3158 -0.3158 -0.2507 -0.2507 0.3096 0.3096 0.3745 0.3745 0.3903 0.3903 0.8695 0.8695 0.9110 0.9110 0.9206 0.9206 1.0186 1.0186 1.0259 1.0259 1.0887 1.0887 2.7784 2.7784 2.8100 2.8100 k = 0.0781-0.0451 0.0638 ( 8472 PWs) bands (ev): -13.8732 -13.8732 -13.0798 -13.0798 -13.0453 -13.0453 -13.0301 -13.0301 -13.0097 -13.0097 -12.9992 -12.9992 -11.0032 -11.0032 -10.9777 -10.9777 -4.5745 -4.5745 -4.5088 -4.5088 -4.4920 -4.4920 -3.6081 -3.6081 -3.6036 -3.6036 -3.3228 -3.3228 -2.6201 -2.6201 -2.4083 -2.4083 -2.3909 -2.3909 -0.8139 -0.8139 -0.7782 -0.7782 -0.5032 -0.5032 -0.4726 -0.4726 -0.3885 -0.3885 -0.3746 -0.3746 -0.3177 -0.3177 -0.3136 -0.3136 -0.2255 -0.2255 0.3003 0.3003 0.3626 0.3626 0.3879 0.3879 0.8627 0.8627 0.9046 0.9046 0.9182 0.9182 1.0110 1.0110 1.0228 1.0228 1.0847 1.0847 2.7607 2.7607 2.8099 2.8099 k = 0.0938-0.0541 0.0765 ( 8468 PWs) bands (ev): -13.8694 -13.8694 -13.0829 -13.0829 -13.0489 -13.0489 -13.0299 -13.0299 -13.0100 -13.0100 -12.9972 -12.9972 -11.0035 -11.0035 -10.9782 -10.9782 -4.5655 -4.5655 -4.5131 -4.5131 -4.4918 -4.4918 -3.6078 -3.6078 -3.6017 -3.6017 -3.3184 -3.3184 -2.6116 -2.6116 -2.4018 -2.4018 -2.3771 -2.3771 -0.8289 -0.8289 -0.7816 -0.7816 -0.5213 -0.5213 -0.4765 -0.4765 -0.3920 -0.3920 -0.3685 -0.3685 -0.3169 -0.3169 -0.3107 -0.3107 -0.1999 -0.1999 0.2886 0.2886 0.3486 0.3486 0.3856 0.3856 0.8535 0.8535 0.8981 0.8981 0.9153 0.9153 1.0016 1.0016 1.0191 1.0191 1.0801 1.0801 2.7394 2.7394 2.8097 2.8097 k = 0.1094-0.0631 0.0893 ( 8468 PWs) bands (ev): -13.8650 -13.8650 -13.0869 -13.0869 -13.0522 -13.0522 -13.0297 -13.0297 -13.0103 -13.0103 -12.9957 -12.9957 -11.0039 -11.0039 -10.9789 -10.9789 -4.5598 -4.5598 -4.5132 -4.5132 -4.4916 -4.4916 -3.6071 -3.6071 -3.5994 -3.5994 -3.3132 -3.3132 -2.6019 -2.6019 -2.3943 -2.3943 -2.3609 -2.3609 -0.8451 -0.8451 -0.7868 -0.7868 -0.5365 -0.5365 -0.4828 -0.4828 -0.3964 -0.3964 -0.3652 -0.3652 -0.3119 -0.3119 -0.3075 -0.3075 -0.1746 -0.1746 0.2746 0.2746 0.3324 0.3324 0.3835 0.3835 0.8417 0.8417 0.8918 0.8918 0.9119 0.9119 0.9903 0.9903 1.0147 1.0147 1.0752 1.0752 2.7145 2.7145 2.8096 2.8096 k = 0.1250-0.0722 0.1021 ( 8452 PWs) bands (ev): -13.8599 -13.8599 -13.0916 -13.0916 -13.0550 -13.0550 -13.0295 -13.0295 -13.0107 -13.0107 -12.9946 -12.9946 -11.0043 -11.0043 -10.9795 -10.9795 -4.5611 -4.5611 -4.5053 -4.5053 -4.4913 -4.4913 -3.6061 -3.6061 -3.5968 -3.5968 -3.3074 -3.3074 -2.5913 -2.5913 -2.3857 -2.3857 -2.3427 -2.3427 -0.8621 -0.8621 -0.7940 -0.7940 -0.5483 -0.5483 -0.4918 -0.4918 -0.4014 -0.4014 -0.3643 -0.3643 -0.3039 -0.3039 -0.3027 -0.3027 -0.1500 -0.1500 0.2583 0.2583 0.3146 0.3146 0.3816 0.3816 0.8276 0.8276 0.8858 0.8858 0.9080 0.9080 0.9770 0.9770 1.0098 1.0098 1.0698 1.0698 2.6862 2.6862 2.8094 2.8094 k = 0.1406-0.0812 0.1148 ( 8460 PWs) bands (ev): -13.8543 -13.8543 -13.0969 -13.0969 -13.0575 -13.0575 -13.0293 -13.0293 -13.0111 -13.0111 -12.9939 -12.9939 -11.0047 -11.0047 -10.9803 -10.9803 -4.5688 -4.5688 -4.4910 -4.4910 -4.4903 -4.4903 -3.6048 -3.6048 -3.5940 -3.5940 -3.3008 -3.3008 -2.5798 -2.5798 -2.3761 -2.3761 -2.3226 -2.3226 -0.8795 -0.8795 -0.8036 -0.8036 -0.5563 -0.5563 -0.5039 -0.5039 -0.4069 -0.4069 -0.3645 -0.3645 -0.2999 -0.2999 -0.2910 -0.2910 -0.1265 -0.1265 0.2401 0.2401 0.2955 0.2955 0.3800 0.3800 0.8114 0.8114 0.8799 0.8799 0.9037 0.9037 0.9619 0.9619 1.0044 1.0044 1.0642 1.0642 2.6548 2.6548 2.8091 2.8091 k = 0.1562-0.0902 0.1276 ( 8444 PWs) bands (ev): -13.8482 -13.8482 -13.1028 -13.1028 -13.0596 -13.0596 -13.0290 -13.0290 -13.0116 -13.0116 -12.9937 -12.9937 -11.0052 -11.0052 -10.9811 -10.9811 -4.5798 -4.5798 -4.4907 -4.4907 -4.4709 -4.4709 -3.6030 -3.6030 -3.5910 -3.5910 -3.2937 -3.2937 -2.5675 -2.5675 -2.3656 -2.3656 -2.3009 -2.3009 -0.8970 -0.8970 -0.8154 -0.8154 -0.5604 -0.5604 -0.5190 -0.5190 -0.4130 -0.4130 -0.3645 -0.3645 -0.2955 -0.2955 -0.2781 -0.2781 -0.1049 -0.1049 0.2203 0.2203 0.2756 0.2756 0.3786 0.3786 0.7935 0.7935 0.8741 0.8741 0.8989 0.8989 0.9451 0.9451 0.9984 0.9984 1.0584 1.0584 2.6205 2.6205 2.8089 2.8089 k = 0.1719-0.0992 0.1403 ( 8428 PWs) bands (ev): -13.8415 -13.8415 -13.1091 -13.1091 -13.0615 -13.0615 -13.0288 -13.0288 -13.0121 -13.0121 -12.9940 -12.9940 -11.0057 -11.0057 -10.9820 -10.9820 -4.5926 -4.5926 -4.4904 -4.4904 -4.4487 -4.4487 -3.6007 -3.6007 -3.5878 -3.5878 -3.2860 -3.2860 -2.5546 -2.5546 -2.3542 -2.3542 -2.2777 -2.2777 -0.9144 -0.9144 -0.8292 -0.8292 -0.5608 -0.5608 -0.5368 -0.5368 -0.4195 -0.4195 -0.3638 -0.3638 -0.2908 -0.2908 -0.2652 -0.2652 -0.0857 -0.0857 0.1993 0.1993 0.2559 0.2559 0.3774 0.3774 0.7744 0.7744 0.8682 0.8682 0.8936 0.8936 0.9266 0.9266 0.9920 0.9920 1.0523 1.0523 2.5836 2.5836 2.8087 2.8087 k = 0.1875-0.1083 0.1531 ( 8424 PWs) bands (ev): -13.8344 -13.8344 -13.1155 -13.1155 -13.0632 -13.0632 -13.0285 -13.0285 -13.0126 -13.0126 -12.9948 -12.9948 -11.0063 -11.0063 -10.9829 -10.9829 -4.6067 -4.6067 -4.4900 -4.4900 -4.4244 -4.4244 -3.5981 -3.5981 -3.5844 -3.5844 -3.2778 -3.2778 -2.5411 -2.5411 -2.3421 -2.3421 -2.2533 -2.2533 -0.9315 -0.9315 -0.8445 -0.8445 -0.5579 -0.5579 -0.5570 -0.5570 -0.4263 -0.4263 -0.3622 -0.3622 -0.2857 -0.2857 -0.2530 -0.2530 -0.0701 -0.0701 0.1776 0.1776 0.2373 0.2373 0.3763 0.3763 0.7542 0.7542 0.8623 0.8623 0.8879 0.8879 0.9068 0.9068 0.9851 0.9851 1.0459 1.0459 2.5445 2.5445 2.8084 2.8084 k = 0.2031-0.1173 0.1659 ( 8420 PWs) bands (ev): -13.8269 -13.8269 -13.1222 -13.1222 -13.0649 -13.0649 -13.0282 -13.0282 -13.0132 -13.0132 -12.9960 -12.9960 -11.0068 -11.0068 -10.9838 -10.9838 -4.6215 -4.6215 -4.4897 -4.4897 -4.3984 -4.3984 -3.5949 -3.5949 -3.5810 -3.5810 -3.2692 -3.2692 -2.5272 -2.5272 -2.3293 -2.3293 -2.2281 -2.2281 -0.9479 -0.9479 -0.8607 -0.8607 -0.5792 -0.5792 -0.5522 -0.5522 -0.4335 -0.4335 -0.3597 -0.3597 -0.2804 -0.2804 -0.2423 -0.2423 -0.0592 -0.0592 0.1559 0.1559 0.2214 0.2214 0.3754 0.3754 0.7333 0.7333 0.8563 0.8563 0.8804 0.8804 0.8872 0.8872 0.9779 0.9779 1.0393 1.0393 2.5035 2.5035 2.8081 2.8081 k = 0.2188-0.1263 0.1786 ( 8428 PWs) bands (ev): -13.8190 -13.8190 -13.1289 -13.1289 -13.0665 -13.0665 -13.0279 -13.0279 -13.0137 -13.0137 -12.9976 -12.9976 -11.0074 -11.0074 -10.9847 -10.9847 -4.6368 -4.6368 -4.4893 -4.4893 -4.3711 -4.3711 -3.5914 -3.5914 -3.5774 -3.5774 -3.2602 -3.2602 -2.5130 -2.5130 -2.3160 -2.3160 -2.2023 -2.2023 -0.9637 -0.9637 -0.8773 -0.8773 -0.6029 -0.6029 -0.5440 -0.5440 -0.4408 -0.4408 -0.3566 -0.3566 -0.2749 -0.2749 -0.2337 -0.2337 -0.0547 -0.0547 0.1347 0.1347 0.2097 0.2097 0.3745 0.3745 0.7119 0.7119 0.8502 0.8502 0.8614 0.8614 0.8776 0.8776 0.9702 0.9702 1.0324 1.0324 2.4610 2.4610 2.8078 2.8078 k = 0.2344-0.1353 0.1914 ( 8452 PWs) bands (ev): -13.8108 -13.8108 -13.1355 -13.1355 -13.0681 -13.0681 -13.0276 -13.0276 -13.0143 -13.0143 -12.9995 -12.9995 -11.0080 -11.0080 -10.9857 -10.9857 -4.6524 -4.6524 -4.4890 -4.4890 -4.3426 -4.3426 -3.5874 -3.5874 -3.5738 -3.5738 -3.2509 -3.2509 -2.4986 -2.4986 -2.3022 -2.3022 -2.1762 -2.1762 -0.9785 -0.9785 -0.8939 -0.8939 -0.6276 -0.6276 -0.5338 -0.5338 -0.4483 -0.4483 -0.3530 -0.3530 -0.2691 -0.2691 -0.2281 -0.2281 -0.0578 -0.0578 0.1151 0.1151 0.2036 0.2036 0.3738 0.3738 0.6903 0.6903 0.8380 0.8380 0.8442 0.8442 0.8713 0.8713 0.9623 0.9623 1.0253 1.0253 2.4174 2.4174 2.8076 2.8076 k = 0.2500-0.1443 0.2041 ( 8468 PWs) bands (ev): -13.8025 -13.8025 -13.1421 -13.1421 -13.0698 -13.0698 -13.0273 -13.0273 -13.0149 -13.0149 -13.0018 -13.0018 -11.0086 -11.0086 -10.9867 -10.9867 -4.6680 -4.6680 -4.4886 -4.4886 -4.3133 -4.3133 -3.5831 -3.5831 -3.5703 -3.5703 -3.2414 -3.2414 -2.4840 -2.4840 -2.2881 -2.2881 -2.1501 -2.1501 -0.9922 -0.9922 -0.9099 -0.9099 -0.6529 -0.6529 -0.5221 -0.5221 -0.4557 -0.4557 -0.3490 -0.3490 -0.2633 -0.2633 -0.2263 -0.2263 -0.0686 -0.0686 0.0978 0.0978 0.2036 0.2036 0.3731 0.3731 0.6687 0.6687 0.8135 0.8135 0.8382 0.8382 0.8652 0.8652 0.9540 0.9540 1.0178 1.0178 2.3731 2.3731 2.8073 2.8073 k = 0.2656-0.1534 0.2169 ( 8440 PWs) bands (ev): -13.7939 -13.7939 -13.1485 -13.1485 -13.0715 -13.0715 -13.0270 -13.0270 -13.0155 -13.0155 -13.0044 -13.0044 -11.0092 -11.0092 -10.9876 -10.9876 -4.6836 -4.6836 -4.4882 -4.4882 -4.2834 -4.2834 -3.5786 -3.5786 -3.5667 -3.5667 -3.2318 -3.2318 -2.4695 -2.4695 -2.2738 -2.2738 -2.1242 -2.1242 -1.0048 -1.0048 -0.9251 -0.9251 -0.6785 -0.6785 -0.5090 -0.5090 -0.4631 -0.4631 -0.3448 -0.3448 -0.2574 -0.2574 -0.2287 -0.2287 -0.0864 -0.0864 0.0836 0.0836 0.2089 0.2089 0.3724 0.3724 0.6473 0.6473 0.7883 0.7883 0.8324 0.8324 0.8594 0.8594 0.9455 0.9455 1.0101 1.0101 2.3286 2.3286 2.8070 2.8070 k = 0.2812-0.1624 0.2296 ( 8448 PWs) bands (ev): -13.7853 -13.7853 -13.1547 -13.1547 -13.0732 -13.0732 -13.0267 -13.0267 -13.0160 -13.0160 -13.0072 -13.0072 -11.0098 -11.0098 -10.9885 -10.9885 -4.6988 -4.6988 -4.4879 -4.4879 -4.2532 -4.2532 -3.5738 -3.5738 -3.5632 -3.5632 -3.2221 -3.2221 -2.4551 -2.4551 -2.2595 -2.2595 -2.0990 -2.0990 -1.0160 -1.0160 -0.9392 -0.9392 -0.7039 -0.7039 -0.4952 -0.4952 -0.4701 -0.4701 -0.3407 -0.3407 -0.2516 -0.2516 -0.2358 -0.2358 -0.1096 -0.1096 0.0731 0.0731 0.2184 0.2184 0.3719 0.3719 0.6263 0.6263 0.7625 0.7625 0.8267 0.8267 0.8539 0.8539 0.9367 0.9367 1.0020 1.0020 2.2843 2.2843 2.8067 2.8067 k = 0.2969-0.1714 0.2424 ( 8444 PWs) bands (ev): -13.7767 -13.7767 -13.1606 -13.1606 -13.0750 -13.0750 -13.0264 -13.0264 -13.0166 -13.0166 -13.0101 -13.0101 -11.0104 -11.0104 -10.9894 -10.9894 -4.7137 -4.7137 -4.4876 -4.4876 -4.2231 -4.2231 -3.5688 -3.5688 -3.5598 -3.5598 -3.2126 -3.2126 -2.4410 -2.4410 -2.2453 -2.2453 -2.0747 -2.0747 -1.0257 -1.0257 -0.9519 -0.9519 -0.7288 -0.7288 -0.4837 -0.4837 -0.4738 -0.4738 -0.3371 -0.3371 -0.2470 -0.2470 -0.2462 -0.2462 -0.1363 -0.1363 0.0665 0.0665 0.2304 0.2304 0.3713 0.3713 0.6058 0.6058 0.7365 0.7365 0.8214 0.8214 0.8487 0.8487 0.9278 0.9278 0.9937 0.9937 2.2407 2.2407 2.8064 2.8064 k = 0.3125-0.1804 0.2552 ( 8452 PWs) bands (ev): -13.7682 -13.7682 -13.1663 -13.1663 -13.0769 -13.0769 -13.0261 -13.0261 -13.0171 -13.0171 -13.0131 -13.0131 -11.0110 -11.0110 -10.9903 -10.9903 -4.7280 -4.7280 -4.4872 -4.4872 -4.1933 -4.1933 -3.5638 -3.5638 -3.5565 -3.5565 -3.2032 -3.2032 -2.4273 -2.4273 -2.2314 -2.2314 -2.0515 -2.0515 -1.0340 -1.0340 -0.9630 -0.9630 -0.7529 -0.7529 -0.4865 -0.4865 -0.4623 -0.4623 -0.3347 -0.3347 -0.2614 -0.2614 -0.2414 -0.2414 -0.1648 -0.1648 0.0633 0.0633 0.2440 0.2440 0.3708 0.3708 0.5861 0.5861 0.7103 0.7103 0.8165 0.8165 0.8440 0.8440 0.9187 0.9187 0.9852 0.9852 2.1981 2.1981 2.8062 2.8062 k = 0.3281-0.1894 0.2679 ( 8468 PWs) bands (ev): -13.7599 -13.7599 -13.1716 -13.1716 -13.0788 -13.0788 -13.0258 -13.0258 -13.0176 -13.0176 -13.0160 -13.0160 -11.0115 -11.0115 -10.9911 -10.9911 -4.7416 -4.7416 -4.4869 -4.4869 -4.1641 -4.1641 -3.5588 -3.5588 -3.5533 -3.5533 -3.1940 -3.1940 -2.4142 -2.4142 -2.2179 -2.2179 -2.0296 -2.0296 -1.0408 -1.0408 -0.9725 -0.9725 -0.7758 -0.7758 -0.4927 -0.4927 -0.4469 -0.4469 -0.3351 -0.3351 -0.2764 -0.2764 -0.2392 -0.2392 -0.1925 -0.1925 0.0630 0.0630 0.2583 0.2583 0.3704 0.3704 0.5672 0.5672 0.6844 0.6844 0.8121 0.8121 0.8400 0.8400 0.9096 0.9096 0.9764 0.9764 2.1571 2.1571 2.8059 2.8059 k = 0.3438-0.1985 0.2807 ( 8460 PWs) bands (ev): -13.7518 -13.7518 -13.1766 -13.1766 -13.0808 -13.0808 -13.0256 -13.0256 -13.0190 -13.0190 -13.0181 -13.0181 -11.0120 -11.0120 -10.9919 -10.9919 -4.7545 -4.7545 -4.4866 -4.4866 -4.1360 -4.1360 -3.5539 -3.5539 -3.5504 -3.5504 -3.1853 -3.1853 -2.4017 -2.4017 -2.2051 -2.2051 -2.0094 -2.0094 -1.0460 -1.0460 -0.9802 -0.9802 -0.7972 -0.7972 -0.4989 -0.4989 -0.4310 -0.4310 -0.3414 -0.3414 -0.2880 -0.2880 -0.2468 -0.2468 -0.2109 -0.2109 0.0647 0.0647 0.2727 0.2727 0.3700 0.3700 0.5494 0.5494 0.6588 0.6588 0.8083 0.8083 0.8366 0.8366 0.9004 0.9004 0.9674 0.9674 2.1181 2.1181 2.8057 2.8057 k = 0.3594-0.2075 0.2934 ( 8440 PWs) bands (ev): -13.7441 -13.7441 -13.1811 -13.1811 -13.0829 -13.0829 -13.0253 -13.0253 -13.0218 -13.0218 -13.0186 -13.0186 -11.0125 -11.0125 -10.9926 -10.9926 -4.7664 -4.7664 -4.4864 -4.4864 -4.1091 -4.1091 -3.5491 -3.5491 -3.5476 -3.5476 -3.1770 -3.1770 -2.3901 -2.3901 -2.1930 -2.1930 -1.9909 -1.9909 -1.0497 -1.0497 -0.9862 -0.9862 -0.8169 -0.8169 -0.5048 -0.5048 -0.4154 -0.4154 -0.3556 -0.3556 -0.2931 -0.2931 -0.2701 -0.2701 -0.2137 -0.2137 0.0678 0.0678 0.2867 0.2867 0.3697 0.3697 0.5328 0.5328 0.6339 0.6339 0.8052 0.8052 0.8341 0.8341 0.8914 0.8914 0.9584 0.9584 2.0814 2.0814 2.8055 2.8055 k = 0.3750-0.2165 0.3062 ( 8440 PWs) bands (ev): -13.7369 -13.7369 -13.1853 -13.1853 -13.0849 -13.0849 -13.0251 -13.0251 -13.0244 -13.0244 -13.0190 -13.0190 -11.0130 -11.0130 -10.9932 -10.9932 -4.7773 -4.7773 -4.4861 -4.4861 -4.0839 -4.0839 -3.5451 -3.5451 -3.5446 -3.5446 -3.1692 -3.1692 -2.3794 -2.3794 -2.1818 -2.1818 -1.9743 -1.9743 -1.0520 -1.0520 -0.9904 -0.9904 -0.8347 -0.8347 -0.5102 -0.5102 -0.4004 -0.4004 -0.3754 -0.3754 -0.2981 -0.2981 -0.2935 -0.2935 -0.2110 -0.2110 0.0716 0.0716 0.3001 0.3001 0.3693 0.3693 0.5175 0.5175 0.6100 0.6100 0.8027 0.8027 0.8324 0.8324 0.8824 0.8824 0.9493 0.9493 2.0474 2.0474 2.8053 2.8053 k = 0.3906-0.2255 0.3189 ( 8448 PWs) bands (ev): -13.7302 -13.7302 -13.1890 -13.1890 -13.0870 -13.0870 -13.0267 -13.0267 -13.0249 -13.0249 -13.0194 -13.0194 -11.0134 -11.0134 -10.9938 -10.9938 -4.7872 -4.7872 -4.4859 -4.4859 -4.0607 -4.0607 -3.5428 -3.5428 -3.5404 -3.5404 -3.1621 -3.1621 -2.3697 -2.3697 -2.1717 -2.1717 -1.9598 -1.9598 -1.0531 -1.0531 -0.9930 -0.9930 -0.8505 -0.8505 -0.5152 -0.5152 -0.3971 -0.3971 -0.3868 -0.3868 -0.3253 -0.3253 -0.2918 -0.2918 -0.2073 -0.2073 0.0757 0.0757 0.3127 0.3127 0.3691 0.3691 0.5037 0.5037 0.5874 0.5874 0.8010 0.8010 0.8317 0.8317 0.8737 0.8737 0.9402 0.9402 2.0166 2.0166 2.8051 2.8051 k = 0.4062-0.2345 0.3317 ( 8440 PWs) bands (ev): -13.7242 -13.7242 -13.1923 -13.1923 -13.0889 -13.0889 -13.0288 -13.0288 -13.0247 -13.0247 -13.0198 -13.0198 -11.0137 -11.0137 -10.9943 -10.9943 -4.7958 -4.7958 -4.4857 -4.4857 -4.0398 -4.0398 -3.5407 -3.5407 -3.5365 -3.5365 -3.1558 -3.1558 -2.3611 -2.3611 -2.1627 -2.1627 -1.9473 -1.9473 -1.0531 -1.0531 -0.9942 -0.9942 -0.8641 -0.8641 -0.5195 -0.5195 -0.4187 -0.4187 -0.3778 -0.3778 -0.3475 -0.3475 -0.2893 -0.2893 -0.2036 -0.2036 0.0798 0.0798 0.3243 0.3243 0.3688 0.3688 0.4914 0.4914 0.5663 0.5663 0.8001 0.8001 0.8318 0.8318 0.8654 0.8654 0.9313 0.9313 1.9891 1.9891 2.8049 2.8049 k = 0.4219-0.2436 0.3445 ( 8432 PWs) bands (ev): -13.7190 -13.7190 -13.1951 -13.1951 -13.0907 -13.0907 -13.0306 -13.0306 -13.0245 -13.0245 -13.0201 -13.0201 -11.0140 -11.0140 -10.9948 -10.9948 -4.8033 -4.8033 -4.4855 -4.4855 -4.0216 -4.0216 -3.5390 -3.5390 -3.5332 -3.5332 -3.1503 -3.1503 -2.3537 -2.3537 -2.1550 -2.1550 -1.9369 -1.9369 -1.0523 -1.0523 -0.9943 -0.9943 -0.8755 -0.8755 -0.5233 -0.5233 -0.4388 -0.4388 -0.3858 -0.3858 -0.3515 -0.3515 -0.2868 -0.2868 -0.2001 -0.2001 0.0834 0.0834 0.3347 0.3347 0.3686 0.3686 0.4808 0.4808 0.5472 0.5472 0.7999 0.7999 0.8328 0.8328 0.8575 0.8575 0.9228 0.9228 1.9654 1.9654 2.8048 2.8048 k = 0.4375-0.2526 0.3572 ( 8440 PWs) bands (ev): -13.7145 -13.7145 -13.1974 -13.1974 -13.0923 -13.0923 -13.0321 -13.0321 -13.0244 -13.0244 -13.0203 -13.0203 -11.0143 -11.0143 -10.9951 -10.9951 -4.8095 -4.8095 -4.4854 -4.4854 -4.0062 -4.0062 -3.5376 -3.5376 -3.5303 -3.5303 -3.1456 -3.1456 -2.3476 -2.3476 -2.1486 -2.1486 -1.9285 -1.9285 -1.0510 -1.0510 -0.9936 -0.9936 -0.8847 -0.8847 -0.5264 -0.5264 -0.4566 -0.4566 -0.4038 -0.4038 -0.3439 -0.3439 -0.2844 -0.2844 -0.1972 -0.1972 0.0866 0.0866 0.3438 0.3438 0.3684 0.3684 0.4720 0.4720 0.5305 0.5305 0.8005 0.8005 0.8344 0.8344 0.8503 0.8503 0.9149 0.9149 1.9456 1.9456 2.8046 2.8046 k = 0.4531-0.2616 0.3700 ( 8440 PWs) bands (ev): -13.7110 -13.7110 -13.1991 -13.1991 -13.0936 -13.0936 -13.0332 -13.0332 -13.0243 -13.0243 -13.0205 -13.0205 -11.0145 -11.0145 -10.9954 -10.9954 -4.8143 -4.8143 -4.4853 -4.4853 -3.9940 -3.9940 -3.5364 -3.5364 -3.5280 -3.5280 -3.1420 -3.1420 -2.3428 -2.3428 -2.1435 -2.1435 -1.9220 -1.9220 -1.0495 -1.0495 -0.9925 -0.9925 -0.8918 -0.8918 -0.5289 -0.5289 -0.4713 -0.4713 -0.4201 -0.4201 -0.3361 -0.3361 -0.2825 -0.2825 -0.1949 -0.1949 0.0892 0.0892 0.3515 0.3515 0.3683 0.3683 0.4651 0.4651 0.5166 0.5166 0.8016 0.8016 0.8365 0.8365 0.8439 0.8439 0.9078 0.9078 1.9300 1.9300 2.8046 2.8046 k = 0.4688-0.2706 0.3827 ( 8432 PWs) bands (ev): -13.7084 -13.7084 -13.2004 -13.2004 -13.0946 -13.0946 -13.0340 -13.0340 -13.0242 -13.0242 -13.0206 -13.0206 -11.0146 -11.0146 -10.9956 -10.9956 -4.8178 -4.8178 -4.4852 -4.4852 -3.9852 -3.9852 -3.5356 -3.5356 -3.5263 -3.5263 -3.1393 -3.1393 -2.3394 -2.3394 -2.1399 -2.1399 -1.9175 -1.9175 -1.0482 -1.0482 -0.9914 -0.9914 -0.8968 -0.8968 -0.5306 -0.5306 -0.4823 -0.4823 -0.4325 -0.4325 -0.3301 -0.3301 -0.2810 -0.2810 -0.1931 -0.1931 0.0911 0.0911 0.3573 0.3573 0.3682 0.3682 0.4601 0.4601 0.5061 0.5061 0.8029 0.8029 0.8386 0.8386 0.8386 0.8386 0.9022 0.9022 1.9188 1.9188 2.8045 2.8045 k = 0.4844-0.2797 0.3955 ( 8456 PWs) bands (ev): -13.7069 -13.7069 -13.2012 -13.2012 -13.0952 -13.0952 -13.0345 -13.0345 -13.0242 -13.0242 -13.0207 -13.0207 -11.0147 -11.0147 -10.9958 -10.9958 -4.8199 -4.8199 -4.4852 -4.4852 -3.9798 -3.9798 -3.5351 -3.5351 -3.5253 -3.5253 -3.1377 -3.1377 -2.3373 -2.3373 -2.1377 -2.1377 -1.9148 -1.9148 -1.0473 -1.0473 -0.9905 -0.9905 -0.8998 -0.8998 -0.5317 -0.5317 -0.4891 -0.4891 -0.4402 -0.4402 -0.3263 -0.3263 -0.2801 -0.2801 -0.1921 -0.1921 0.0922 0.0922 0.3610 0.3610 0.3681 0.3681 0.4571 0.4571 0.4995 0.4995 0.8042 0.8042 0.8351 0.8351 0.8402 0.8402 0.8984 0.8984 1.9120 1.9120 2.8044 2.8044 k = 0.5000-0.2887 0.4082 ( 8480 PWs) bands (ev): -13.7064 -13.7064 -13.2015 -13.2015 -13.0954 -13.0954 -13.0347 -13.0347 -13.0242 -13.0242 -13.0208 -13.0208 -11.0148 -11.0148 -10.9958 -10.9958 -4.8206 -4.8206 -4.4852 -4.4852 -3.9780 -3.9780 -3.5350 -3.5350 -3.5250 -3.5250 -3.1372 -3.1372 -2.3366 -2.3366 -2.1370 -2.1370 -1.9139 -1.9139 -1.0469 -1.0469 -0.9902 -0.9902 -0.9008 -0.9008 -0.5321 -0.5321 -0.4914 -0.4914 -0.4429 -0.4429 -0.3251 -0.3251 -0.2798 -0.2798 -0.1917 -0.1917 0.0926 0.0926 0.3623 0.3623 0.3681 0.3681 0.4561 0.4561 0.4972 0.4972 0.8047 0.8047 0.8337 0.8337 0.8408 0.8408 0.8970 0.8970 1.9097 1.9097 2.8044 2.8044 k = 0.5000-0.2887 0.4082 ( 8480 PWs) bands (ev): -13.7064 -13.7064 -13.2015 -13.2015 -13.0954 -13.0954 -13.0347 -13.0347 -13.0242 -13.0242 -13.0208 -13.0208 -11.0148 -11.0148 -10.9958 -10.9958 -4.8206 -4.8206 -4.4852 -4.4852 -3.9780 -3.9780 -3.5350 -3.5350 -3.5250 -3.5250 -3.1372 -3.1372 -2.3366 -2.3366 -2.1370 -2.1370 -1.9139 -1.9139 -1.0469 -1.0469 -0.9902 -0.9902 -0.9008 -0.9008 -0.5321 -0.5321 -0.4914 -0.4914 -0.4429 -0.4429 -0.3251 -0.3251 -0.2798 -0.2798 -0.1917 -0.1917 0.0926 0.0926 0.3623 0.3623 0.3681 0.3681 0.4561 0.4561 0.4972 0.4972 0.8047 0.8047 0.8337 0.8337 0.8408 0.8408 0.8970 0.8970 1.9097 1.9097 2.8044 2.8044 k = 0.5000-0.2706 0.4210 ( 8460 PWs) bands (ev): -13.7063 -13.7063 -13.2017 -13.2017 -13.0953 -13.0953 -13.0352 -13.0352 -13.0260 -13.0260 -13.0183 -13.0183 -11.0147 -11.0147 -10.9959 -10.9959 -4.8200 -4.8200 -4.4857 -4.4857 -3.9782 -3.9782 -3.5350 -3.5350 -3.5251 -3.5251 -3.1373 -3.1373 -2.3363 -2.3363 -2.1364 -2.1364 -1.9145 -1.9145 -1.0461 -1.0461 -0.9894 -0.9894 -0.9005 -0.9005 -0.5435 -0.5435 -0.4839 -0.4839 -0.4375 -0.4375 -0.3343 -0.3343 -0.2751 -0.2751 -0.1907 -0.1907 0.0923 0.0923 0.3618 0.3618 0.3667 0.3667 0.4578 0.4578 0.4986 0.4986 0.8044 0.8044 0.8335 0.8335 0.8405 0.8405 0.8967 0.8967 1.9116 1.9116 2.8031 2.8031 k = 0.5000-0.2526 0.4338 ( 8430 PWs) bands (ev): -13.7061 -13.7061 -13.2024 -13.2024 -13.0950 -13.0950 -13.0368 -13.0368 -13.0281 -13.0281 -13.0145 -13.0145 -11.0146 -11.0146 -10.9960 -10.9960 -4.8181 -4.8181 -4.4874 -4.4874 -3.9787 -3.9787 -3.5352 -3.5352 -3.5256 -3.5256 -3.1375 -3.1375 -2.3353 -2.3353 -2.1350 -2.1350 -1.9162 -1.9162 -1.0437 -1.0437 -0.9869 -0.9869 -0.8996 -0.8996 -0.5649 -0.5649 -0.4751 -0.4751 -0.4207 -0.4207 -0.3540 -0.3540 -0.2702 -0.2702 -0.1861 -0.1861 0.0916 0.0916 0.3602 0.3602 0.3625 0.3625 0.4628 0.4628 0.5029 0.5029 0.8037 0.8037 0.8324 0.8324 0.8397 0.8397 0.8955 0.8955 1.9175 1.9175 2.7991 2.7991 k = 0.5000-0.2345 0.4465 ( 8436 PWs) bands (ev): -13.7058 -13.7058 -13.2035 -13.2035 -13.0945 -13.0945 -13.0393 -13.0393 -13.0293 -13.0293 -13.0104 -13.0104 -11.0143 -11.0143 -10.9962 -10.9962 -4.8149 -4.8149 -4.4902 -4.4902 -3.9795 -3.9795 -3.5355 -3.5355 -3.5262 -3.5262 -3.1380 -3.1380 -2.3338 -2.3338 -2.1325 -2.1325 -1.9189 -1.9189 -1.0398 -1.0398 -0.9827 -0.9827 -0.8981 -0.8981 -0.5878 -0.5878 -0.4708 -0.4708 -0.3955 -0.3955 -0.3774 -0.3774 -0.2740 -0.2740 -0.1753 -0.1753 0.0903 0.0903 0.3554 0.3554 0.3580 0.3580 0.4710 0.4710 0.5096 0.5096 0.8024 0.8024 0.8302 0.8302 0.8387 0.8387 0.8937 0.8937 1.9272 1.9272 2.7925 2.7925 k = 0.5000-0.2165 0.4593 ( 8440 PWs) bands (ev): -13.7054 -13.7054 -13.2050 -13.2050 -13.0938 -13.0938 -13.0423 -13.0423 -13.0301 -13.0301 -13.0062 -13.0062 -11.0140 -11.0140 -10.9965 -10.9965 -4.8106 -4.8106 -4.4940 -4.4940 -3.9806 -3.9806 -3.5360 -3.5360 -3.5270 -3.5270 -3.1385 -3.1385 -2.3317 -2.3317 -2.1292 -2.1292 -1.9227 -1.9227 -1.0346 -1.0346 -0.9766 -0.9766 -0.8962 -0.8962 -0.6101 -0.6101 -0.4687 -0.4687 -0.4022 -0.4022 -0.3660 -0.3660 -0.2872 -0.2872 -0.1593 -0.1593 0.0884 0.0884 0.3457 0.3457 0.3550 0.3550 0.4818 0.4818 0.5183 0.5183 0.8005 0.8005 0.8266 0.8266 0.8378 0.8378 0.8913 0.8913 1.9403 1.9403 2.7833 2.7833 k = 0.5000-0.1985 0.4720 ( 8436 PWs) bands (ev): -13.7049 -13.7049 -13.2068 -13.2068 -13.0930 -13.0930 -13.0455 -13.0455 -13.0305 -13.0305 -13.0021 -13.0021 -11.0136 -11.0136 -10.9969 -10.9969 -4.8052 -4.8052 -4.4989 -4.4989 -3.9820 -3.9820 -3.5366 -3.5366 -3.5278 -3.5278 -3.1392 -3.1392 -2.3292 -2.3292 -2.1250 -2.1250 -1.9275 -1.9275 -1.0282 -1.0282 -0.9684 -0.9684 -0.8938 -0.8938 -0.6312 -0.6312 -0.4673 -0.4673 -0.4278 -0.4278 -0.3350 -0.3350 -0.3066 -0.3066 -0.1405 -0.1405 0.0859 0.0859 0.3334 0.3334 0.3519 0.3519 0.4948 0.4948 0.5287 0.5287 0.7982 0.7982 0.8216 0.8216 0.8372 0.8372 0.8883 0.8883 1.9567 1.9567 2.7718 2.7718 k = 0.5000-0.1804 0.4848 ( 8438 PWs) bands (ev): -13.7043 -13.7043 -13.2088 -13.2088 -13.0920 -13.0920 -13.0486 -13.0486 -13.0309 -13.0309 -12.9982 -12.9982 -11.0131 -11.0131 -10.9974 -10.9974 -4.7987 -4.7987 -4.5047 -4.5047 -3.9835 -3.9835 -3.5375 -3.5375 -3.5286 -3.5286 -3.1400 -3.1400 -2.3262 -2.3262 -2.1200 -2.1200 -1.9332 -1.9332 -1.0209 -1.0209 -0.9580 -0.9580 -0.8912 -0.8912 -0.6505 -0.6505 -0.4663 -0.4663 -0.4536 -0.4536 -0.3344 -0.3344 -0.2990 -0.2990 -0.1206 -0.1206 0.0827 0.0827 0.3186 0.3186 0.3487 0.3487 0.5095 0.5095 0.5404 0.5404 0.7953 0.7953 0.8153 0.8153 0.8366 0.8366 0.8848 0.8848 1.9759 1.9759 2.7582 2.7582 k = 0.5000-0.1624 0.4976 ( 8452 PWs) bands (ev): -13.7037 -13.7037 -13.2110 -13.2110 -13.0909 -13.0909 -13.0516 -13.0516 -13.0312 -13.0312 -12.9944 -12.9944 -11.0126 -11.0126 -10.9979 -10.9979 -4.7913 -4.7913 -4.5114 -4.5114 -3.9852 -3.9852 -3.5387 -3.5387 -3.5293 -3.5293 -3.1409 -3.1409 -2.3231 -2.3231 -2.1144 -2.1144 -1.9397 -1.9397 -1.0130 -1.0130 -0.9453 -0.9453 -0.8885 -0.8885 -0.6679 -0.6679 -0.4795 -0.4795 -0.4654 -0.4654 -0.3623 -0.3623 -0.2655 -0.2655 -0.1008 -0.1008 0.0790 0.0790 0.3014 0.3014 0.3457 0.3457 0.5255 0.5255 0.5529 0.5529 0.7918 0.7918 0.8078 0.8078 0.8359 0.8359 0.8811 0.8811 1.9975 1.9975 2.7426 2.7426 k = 0.5000-0.1443 0.5103 ( 8454 PWs) bands (ev): -13.7030 -13.7030 -13.2133 -13.2133 -13.0898 -13.0898 -13.0544 -13.0544 -13.0315 -13.0315 -12.9908 -12.9908 -11.0119 -11.0119 -10.9985 -10.9985 -4.7833 -4.7833 -4.5188 -4.5188 -3.9870 -3.9870 -3.5400 -3.5400 -3.5299 -3.5299 -3.1418 -3.1418 -2.3197 -2.3197 -2.1083 -2.1083 -1.9469 -1.9469 -1.0046 -1.0046 -0.9302 -0.9302 -0.8862 -0.8862 -0.6828 -0.6828 -0.5052 -0.5052 -0.4647 -0.4647 -0.3931 -0.3931 -0.2307 -0.2307 -0.0813 -0.0813 0.0747 0.0747 0.2820 0.2820 0.3428 0.3428 0.5423 0.5423 0.5660 0.5660 0.7877 0.7877 0.7992 0.7992 0.8352 0.8352 0.8772 0.8772 2.0209 2.0209 2.7254 2.7254 k = 0.5000-0.1263 0.5231 ( 8468 PWs) bands (ev): -13.7023 -13.7023 -13.2156 -13.2156 -13.0885 -13.0885 -13.0570 -13.0570 -13.0318 -13.0318 -12.9876 -12.9876 -11.0112 -11.0112 -10.9992 -10.9992 -4.7747 -4.7747 -4.5267 -4.5267 -3.9887 -3.9887 -3.5414 -3.5414 -3.5303 -3.5303 -3.1427 -3.1427 -2.3163 -2.3163 -2.1017 -2.1017 -1.9546 -1.9546 -0.9959 -0.9959 -0.9128 -0.9128 -0.8845 -0.8845 -0.6948 -0.6948 -0.5307 -0.5307 -0.4641 -0.4641 -0.4252 -0.4252 -0.1956 -0.1956 -0.0627 -0.0627 0.0700 0.0700 0.2604 0.2604 0.3402 0.3402 0.5596 0.5596 0.5793 0.5793 0.7831 0.7831 0.7896 0.7896 0.8345 0.8345 0.8733 0.8733 2.0453 2.0453 2.7071 2.7071 k = 0.5000-0.1083 0.5358 ( 8472 PWs) bands (ev): -13.7017 -13.7017 -13.2177 -13.2177 -13.0872 -13.0872 -13.0595 -13.0595 -13.0321 -13.0321 -12.9847 -12.9847 -11.0105 -11.0105 -10.9999 -10.9999 -4.7658 -4.7658 -4.5350 -4.5350 -3.9904 -3.9904 -3.5428 -3.5428 -3.5306 -3.5306 -3.1435 -3.1435 -2.3131 -2.3131 -2.0947 -2.0947 -1.9626 -1.9626 -0.9868 -0.9868 -0.8938 -0.8938 -0.8835 -0.8835 -0.7034 -0.7034 -0.5557 -0.5557 -0.4649 -0.4649 -0.4565 -0.4565 -0.1603 -0.1603 -0.0449 -0.0449 0.0648 0.0648 0.2369 0.2369 0.3379 0.3379 0.5770 0.5770 0.5927 0.5927 0.7777 0.7777 0.7795 0.7795 0.8336 0.8336 0.8697 0.8697 2.0701 2.0701 2.6882 2.6882 k = 0.5000-0.0902 0.5486 ( 8458 PWs) bands (ev): -13.7011 -13.7011 -13.2196 -13.2196 -13.0859 -13.0859 -13.0617 -13.0617 -13.0323 -13.0323 -12.9822 -12.9822 -11.0097 -11.0097 -11.0007 -11.0007 -4.7569 -4.7569 -4.5432 -4.5432 -3.9919 -3.9919 -3.5441 -3.5441 -3.5308 -3.5308 -3.1443 -3.1443 -2.3100 -2.3100 -2.0877 -2.0877 -1.9708 -1.9708 -0.9776 -0.9776 -0.8864 -0.8864 -0.8706 -0.8706 -0.7085 -0.7085 -0.5802 -0.5802 -0.4912 -0.4912 -0.4621 -0.4621 -0.1253 -0.1253 -0.0280 -0.0280 0.0591 0.0591 0.2116 0.2116 0.3359 0.3359 0.5941 0.5941 0.6058 0.6058 0.7676 0.7676 0.7728 0.7728 0.8327 0.8327 0.8665 0.8665 2.0943 2.0943 2.6694 2.6694 k = 0.5000-0.0722 0.5613 ( 8464 PWs) bands (ev): -13.7005 -13.7005 -13.2214 -13.2214 -13.0846 -13.0846 -13.0638 -13.0638 -13.0325 -13.0325 -12.9801 -12.9801 -11.0088 -11.0088 -11.0016 -11.0016 -4.7485 -4.7485 -4.5512 -4.5512 -3.9933 -3.9933 -3.5453 -3.5453 -3.5309 -3.5309 -3.1450 -3.1450 -2.3073 -2.3073 -2.0807 -2.0807 -1.9788 -1.9788 -0.9683 -0.9683 -0.8891 -0.8891 -0.8480 -0.8480 -0.7098 -0.7098 -0.6041 -0.6041 -0.5220 -0.5220 -0.4618 -0.4618 -0.0911 -0.0911 -0.0119 -0.0119 0.0530 0.0530 0.1847 0.1847 0.3342 0.3342 0.6101 0.6101 0.6187 0.6187 0.7559 0.7559 0.7671 0.7671 0.8317 0.8317 0.8637 0.8637 2.1168 2.1168 2.6516 2.6516 k = 0.5000-0.0541 0.5741 ( 8464 PWs) bands (ev): -13.7001 -13.7001 -13.2227 -13.2227 -13.0834 -13.0834 -13.0655 -13.0655 -13.0327 -13.0327 -12.9784 -12.9784 -11.0079 -11.0079 -11.0024 -11.0024 -4.7411 -4.7411 -4.5582 -4.5582 -3.9944 -3.9944 -3.5463 -3.5463 -3.5310 -3.5310 -3.1456 -3.1456 -2.3051 -2.3051 -2.0741 -2.0741 -1.9862 -1.9862 -0.9591 -0.9591 -0.8937 -0.8937 -0.8246 -0.8246 -0.7081 -0.7081 -0.6270 -0.6270 -0.5502 -0.5502 -0.4614 -0.4614 -0.0585 -0.0585 0.0040 0.0040 0.0463 0.0463 0.1566 0.1566 0.3328 0.3328 0.6235 0.6235 0.6319 0.6319 0.7439 0.7439 0.7616 0.7616 0.8309 0.8309 0.8616 0.8616 2.1364 2.1364 2.6358 2.6358 k = 0.5000-0.0361 0.5869 ( 8452 PWs) bands (ev): -13.6998 -13.6998 -13.2238 -13.2238 -13.0824 -13.0824 -13.0669 -13.0669 -13.0328 -13.0328 -12.9772 -12.9772 -11.0070 -11.0070 -11.0033 -11.0033 -4.7351 -4.7351 -4.5639 -4.5639 -3.9952 -3.9952 -3.5470 -3.5470 -3.5311 -3.5311 -3.1460 -3.1460 -2.3034 -2.3034 -2.0684 -2.0684 -1.9926 -1.9926 -0.9505 -0.9505 -0.8993 -0.8993 -0.8018 -0.8018 -0.7048 -0.7048 -0.6479 -0.6479 -0.5739 -0.5739 -0.4611 -0.4611 -0.0294 -0.0294 0.0212 0.0212 0.0389 0.0389 0.1275 0.1275 0.3318 0.3318 0.6331 0.6331 0.6452 0.6452 0.7323 0.7323 0.7568 0.7568 0.8303 0.8303 0.8600 0.8600 2.1518 2.1518 2.6233 2.6233 k = 0.5000-0.0180 0.5996 ( 8444 PWs) bands (ev): -13.6996 -13.6996 -13.2244 -13.2244 -13.0817 -13.0817 -13.0678 -13.0678 -13.0329 -13.0329 -12.9764 -12.9764 -11.0061 -11.0061 -11.0042 -11.0042 -4.7312 -4.7312 -4.5676 -4.5676 -3.9957 -3.9957 -3.5474 -3.5474 -3.5312 -3.5312 -3.1462 -3.1462 -2.3024 -2.3024 -2.0645 -2.0645 -1.9970 -1.9970 -0.9436 -0.9436 -0.9045 -0.9045 -0.7831 -0.7831 -0.7025 -0.7025 -0.6634 -0.6634 -0.5903 -0.5903 -0.4610 -0.4610 -0.0073 -0.0073 0.0312 0.0312 0.0421 0.0421 0.0981 0.0981 0.3312 0.3312 0.6391 0.6391 0.6559 0.6559 0.7230 0.7230 0.7535 0.7535 0.8298 0.8298 0.8591 0.8591 2.1617 2.1617 2.6151 2.6151 k = 0.5000 0.0000 0.6124 ( 8432 PWs) bands (ev): -13.6995 -13.6995 -13.2246 -13.2246 -13.0815 -13.0815 -13.0681 -13.0681 -13.0329 -13.0329 -12.9762 -12.9762 -11.0053 -11.0053 -11.0051 -11.0051 -4.7299 -4.7299 -4.5689 -4.5689 -3.9959 -3.9959 -3.5476 -3.5476 -3.5312 -3.5312 -3.1463 -3.1463 -2.3020 -2.3020 -2.0630 -2.0630 -1.9986 -1.9986 -0.9408 -0.9408 -0.9069 -0.9069 -0.7751 -0.7751 -0.7024 -0.7024 -0.6691 -0.6691 -0.5963 -0.5963 -0.4609 -0.4609 0.0022 0.0022 0.0265 0.0265 0.0634 0.0634 0.0740 0.0740 0.3310 0.3310 0.6411 0.6411 0.6604 0.6604 0.7190 0.7190 0.7523 0.7523 0.8297 0.8297 0.8588 0.8588 2.1651 2.1651 2.6123 2.6123 k = 0.5000 0.0000 0.6124 ( 8432 PWs) bands (ev): -13.6995 -13.6995 -13.2246 -13.2246 -13.0815 -13.0815 -13.0681 -13.0681 -13.0329 -13.0329 -12.9762 -12.9762 -11.0053 -11.0053 -11.0051 -11.0051 -4.7299 -4.7299 -4.5689 -4.5689 -3.9959 -3.9959 -3.5476 -3.5476 -3.5312 -3.5312 -3.1463 -3.1463 -2.3020 -2.3020 -2.0630 -2.0630 -1.9986 -1.9986 -0.9408 -0.9408 -0.9069 -0.9069 -0.7751 -0.7751 -0.7024 -0.7024 -0.6691 -0.6691 -0.5963 -0.5963 -0.4609 -0.4609 0.0022 0.0022 0.0265 0.0265 0.0634 0.0634 0.0740 0.0740 0.3310 0.3310 0.6411 0.6411 0.6604 0.6604 0.7190 0.7190 0.7523 0.7523 0.8297 0.8297 0.8588 0.8588 2.1651 2.1651 2.6123 2.6123 k = 0.4896 0.0180 0.6124 ( 8442 PWs) bands (ev): -13.6996 -13.6996 -13.2245 -13.2245 -13.0817 -13.0817 -13.0680 -13.0680 -13.0328 -13.0328 -12.9762 -12.9762 -11.0058 -11.0058 -11.0046 -11.0046 -4.7302 -4.7302 -4.5684 -4.5684 -3.9962 -3.9962 -3.5476 -3.5476 -3.5312 -3.5312 -3.1464 -3.1464 -2.3032 -2.3032 -2.0641 -2.0641 -1.9968 -1.9968 -0.9419 -0.9419 -0.9057 -0.9057 -0.7798 -0.7798 -0.7042 -0.7042 -0.6675 -0.6675 -0.5897 -0.5897 -0.4597 -0.4597 -0.0026 -0.0026 0.0287 0.0287 0.0499 0.0499 0.0884 0.0884 0.3308 0.3308 0.6405 0.6405 0.6583 0.6583 0.7208 0.7208 0.7525 0.7525 0.8301 0.8301 0.8594 0.8594 2.1643 2.1643 2.6134 2.6134 k = 0.4792 0.0361 0.6124 ( 8451 PWs) bands (ev): -13.7000 -13.7000 -13.2242 -13.2242 -13.0822 -13.0822 -13.0676 -13.0676 -13.0325 -13.0325 -12.9764 -12.9764 -11.0063 -11.0063 -11.0040 -11.0040 -4.7312 -4.7312 -4.5669 -4.5669 -3.9972 -3.9972 -3.5475 -3.5475 -3.5312 -3.5312 -3.1465 -3.1465 -2.3066 -2.3066 -2.0665 -2.0665 -1.9926 -1.9926 -0.9446 -0.9446 -0.9028 -0.9028 -0.7901 -0.7901 -0.7097 -0.7097 -0.6681 -0.6681 -0.5689 -0.5689 -0.4560 -0.4560 -0.0144 -0.0144 0.0327 0.0327 0.0343 0.0343 0.1070 0.1070 0.3301 0.3301 0.6388 0.6388 0.6534 0.6534 0.7248 0.7248 0.7529 0.7529 0.8314 0.8314 0.8613 0.8613 2.1620 2.1620 2.6165 2.6165 k = 0.4688 0.0541 0.6124 ( 8455 PWs) bands (ev): -13.7005 -13.7005 -13.2237 -13.2237 -13.0829 -13.0829 -13.0670 -13.0670 -13.0319 -13.0319 -12.9766 -12.9766 -11.0069 -11.0069 -11.0034 -11.0034 -4.7328 -4.7328 -4.5646 -4.5646 -3.9985 -3.9985 -3.5474 -3.5474 -3.5313 -3.5313 -3.1467 -3.1467 -2.3120 -2.3120 -2.0689 -2.0689 -1.9870 -1.9870 -0.9479 -0.9479 -0.8991 -0.8991 -0.8022 -0.8022 -0.7168 -0.7168 -0.6726 -0.6726 -0.5378 -0.5378 -0.4500 -0.4500 -0.0303 -0.0303 0.0184 0.0184 0.0379 0.0379 0.1252 0.1252 0.3291 0.3291 0.6362 0.6362 0.6473 0.6473 0.7293 0.7293 0.7533 0.7533 0.8337 0.8337 0.8642 0.8642 2.1584 2.1584 2.6214 2.6214 k = 0.4583 0.0722 0.6124 ( 8463 PWs) bands (ev): -13.7011 -13.7011 -13.2231 -13.2231 -13.0838 -13.0838 -13.0665 -13.0665 -13.0312 -13.0312 -12.9769 -12.9769 -11.0073 -11.0073 -11.0029 -11.0029 -4.7349 -4.7349 -4.5616 -4.5616 -4.0001 -4.0001 -3.5471 -3.5471 -3.5315 -3.5315 -3.1468 -3.1468 -2.3190 -2.3190 -2.0707 -2.0707 -1.9809 -1.9809 -0.9513 -0.9513 -0.8950 -0.8950 -0.8145 -0.8145 -0.7245 -0.7245 -0.6787 -0.6787 -0.5015 -0.5015 -0.4420 -0.4420 -0.0487 -0.0487 0.0031 0.0031 0.0421 0.0421 0.1425 0.1425 0.3278 0.3278 0.6328 0.6328 0.6411 0.6411 0.7333 0.7333 0.7536 0.7536 0.8368 0.8368 0.8680 0.8680 2.1538 2.1538 2.6276 2.6276 k = 0.4479 0.0902 0.6124 ( 8459 PWs) bands (ev): -13.7017 -13.7017 -13.2225 -13.2225 -13.0847 -13.0847 -13.0659 -13.0659 -13.0303 -13.0303 -12.9772 -12.9772 -11.0078 -11.0078 -11.0024 -11.0024 -4.7372 -4.7372 -4.5582 -4.5582 -4.0020 -4.0020 -3.5468 -3.5468 -3.5317 -3.5317 -3.1471 -3.1471 -2.3270 -2.3270 -2.0717 -2.0717 -1.9748 -1.9748 -0.9544 -0.9544 -0.8909 -0.8909 -0.8263 -0.8263 -0.7324 -0.7324 -0.6852 -0.6852 -0.4629 -0.4629 -0.4320 -0.4320 -0.0681 -0.0681 -0.0131 -0.0131 0.0457 0.0457 0.1584 0.1584 0.3263 0.3263 0.6288 0.6288 0.6357 0.6357 0.7364 0.7364 0.7538 0.7538 0.8406 0.8406 0.8722 0.8722 2.1485 2.1485 2.6345 2.6345 k = 0.4375 0.1083 0.6124 ( 8460 PWs) bands (ev): -13.7024 -13.7024 -13.2218 -13.2218 -13.0855 -13.0855 -13.0655 -13.0655 -13.0294 -13.0294 -12.9776 -12.9776 -11.0081 -11.0081 -11.0019 -11.0019 -4.7396 -4.7396 -4.5547 -4.5547 -4.0038 -4.0038 -3.5463 -3.5463 -3.5321 -3.5321 -3.1473 -3.1473 -2.3354 -2.3354 -2.0719 -2.0719 -1.9692 -1.9692 -0.9571 -0.9571 -0.8868 -0.8868 -0.8371 -0.8371 -0.7403 -0.7403 -0.6912 -0.6912 -0.4268 -0.4268 -0.4174 -0.4174 -0.0878 -0.0878 -0.0309 -0.0309 0.0489 0.0489 0.1727 0.1727 0.3247 0.3247 0.6243 0.6243 0.6314 0.6314 0.7385 0.7385 0.7539 0.7539 0.8447 0.8447 0.8766 0.8766 2.1430 2.1430 2.6418 2.6418 k = 0.4271 0.1263 0.6124 ( 8458 PWs) bands (ev): -13.7030 -13.7030 -13.2212 -13.2212 -13.0863 -13.0863 -13.0652 -13.0652 -13.0284 -13.0284 -12.9780 -12.9780 -11.0085 -11.0085 -11.0015 -11.0015 -4.7419 -4.7419 -4.5513 -4.5513 -4.0056 -4.0056 -3.5457 -3.5457 -3.5325 -3.5325 -3.1474 -3.1474 -2.3435 -2.3435 -2.0717 -2.0717 -1.9641 -1.9641 -0.9593 -0.9593 -0.8831 -0.8831 -0.8464 -0.8464 -0.7478 -0.7478 -0.6964 -0.6964 -0.4110 -0.4110 -0.3815 -0.3815 -0.1070 -0.1070 -0.0506 -0.0506 0.0515 0.0515 0.1853 0.1853 0.3232 0.3232 0.6198 0.6198 0.6279 0.6279 0.7398 0.7398 0.7537 0.7537 0.8490 0.8490 0.8809 0.8809 2.1375 2.1375 2.6488 2.6488 k = 0.4167 0.1443 0.6124 ( 8457 PWs) bands (ev): -13.7036 -13.7036 -13.2206 -13.2206 -13.0870 -13.0870 -13.0650 -13.0650 -13.0275 -13.0275 -12.9783 -12.9783 -11.0087 -11.0087 -11.0012 -11.0012 -4.7440 -4.7440 -4.5482 -4.5482 -4.0072 -4.0072 -3.5451 -3.5451 -3.5330 -3.5330 -3.1476 -3.1476 -2.3510 -2.3510 -2.0712 -2.0712 -1.9598 -1.9598 -0.9610 -0.9610 -0.8799 -0.8799 -0.8540 -0.8540 -0.7548 -0.7548 -0.7007 -0.7007 -0.3990 -0.3990 -0.3424 -0.3424 -0.1251 -0.1251 -0.0722 -0.0722 0.0537 0.0537 0.1958 0.1958 0.3218 0.3218 0.6158 0.6158 0.6251 0.6251 0.7406 0.7406 0.7535 0.7535 0.8529 0.8529 0.8847 0.8847 2.1326 2.1326 2.6552 2.6552 k = 0.4062 0.1624 0.6124 ( 8473 PWs) bands (ev): -13.7041 -13.7041 -13.2201 -13.2201 -13.0876 -13.0876 -13.0648 -13.0648 -13.0267 -13.0267 -12.9786 -12.9786 -11.0089 -11.0089 -11.0009 -11.0009 -4.7458 -4.7458 -4.5456 -4.5456 -4.0085 -4.0085 -3.5445 -3.5445 -3.5335 -3.5335 -3.1477 -3.1477 -2.3572 -2.3572 -2.0706 -2.0706 -1.9564 -1.9564 -0.9623 -0.9623 -0.8778 -0.8778 -0.8593 -0.8593 -0.7609 -0.7609 -0.7041 -0.7041 -0.3879 -0.3879 -0.3042 -0.3042 -0.1416 -0.1416 -0.0955 -0.0955 0.0554 0.0554 0.2041 0.2041 0.3206 0.3206 0.6126 0.6126 0.6229 0.6229 0.7410 0.7410 0.7531 0.7531 0.8562 0.8562 0.8879 0.8879 2.1284 2.1284 2.6606 2.6606 k = 0.3958 0.1804 0.6124 ( 8475 PWs) bands (ev): -13.7045 -13.7045 -13.2198 -13.2198 -13.0880 -13.0880 -13.0647 -13.0647 -13.0261 -13.0261 -12.9788 -12.9788 -11.0091 -11.0091 -11.0008 -11.0008 -4.7471 -4.7471 -4.5437 -4.5437 -4.0095 -4.0095 -3.5440 -3.5440 -3.5340 -3.5340 -3.1478 -3.1478 -2.3619 -2.3619 -2.0701 -2.0701 -1.9538 -1.9538 -0.9632 -0.9632 -0.8772 -0.8772 -0.8620 -0.8620 -0.7657 -0.7657 -0.7065 -0.7065 -0.3788 -0.3788 -0.2678 -0.2678 -0.1566 -0.1566 -0.1190 -0.1190 0.0567 0.0567 0.2102 0.2102 0.3197 0.3197 0.6102 0.6102 0.6214 0.6214 0.7413 0.7413 0.7528 0.7528 0.8588 0.8588 0.8903 0.8903 2.1252 2.1252 2.6647 2.6647 k = 0.3854 0.1985 0.6124 ( 8472 PWs) bands (ev): -13.7047 -13.7047 -13.2195 -13.2195 -13.0882 -13.0882 -13.0646 -13.0646 -13.0257 -13.0257 -12.9790 -12.9790 -11.0092 -11.0092 -11.0006 -11.0006 -4.7479 -4.7479 -4.5424 -4.5424 -4.0101 -4.0101 -3.5436 -3.5436 -3.5343 -3.5343 -3.1479 -3.1479 -2.3648 -2.3648 -2.0697 -2.0697 -1.9523 -1.9523 -0.9637 -0.9637 -0.8776 -0.8776 -0.8627 -0.8627 -0.7687 -0.7687 -0.7079 -0.7079 -0.3727 -0.3727 -0.2347 -0.2347 -0.1724 -0.1724 -0.1383 -0.1383 0.0574 0.0574 0.2138 0.2138 0.3192 0.3192 0.6088 0.6088 0.6204 0.6204 0.7414 0.7414 0.7525 0.7525 0.8604 0.8604 0.8918 0.8918 2.1232 2.1232 2.6672 2.6672 k = 0.3750 0.2165 0.6124 ( 8488 PWs) bands (ev): -13.7048 -13.7048 -13.2195 -13.2195 -13.0883 -13.0883 -13.0646 -13.0646 -13.0255 -13.0255 -12.9790 -12.9790 -11.0092 -11.0092 -11.0006 -11.0006 -4.7482 -4.7482 -4.5420 -4.5420 -4.0103 -4.0103 -3.5434 -3.5434 -3.5344 -3.5344 -3.1479 -3.1479 -2.3658 -2.3658 -2.0696 -2.0696 -1.9518 -1.9518 -0.9639 -0.9639 -0.8779 -0.8779 -0.8628 -0.8628 -0.7698 -0.7698 -0.7084 -0.7084 -0.3705 -0.3705 -0.2143 -0.2143 -0.1863 -0.1863 -0.1455 -0.1455 0.0577 0.0577 0.2151 0.2151 0.3190 0.3190 0.6083 0.6083 0.6201 0.6201 0.7414 0.7414 0.7524 0.7524 0.8609 0.8609 0.8923 0.8923 2.1226 2.1226 2.6681 2.6681 k = 0.3750 0.2165 0.6124 ( 8488 PWs) bands (ev): -13.7048 -13.7048 -13.2195 -13.2195 -13.0883 -13.0883 -13.0646 -13.0646 -13.0255 -13.0255 -12.9790 -12.9790 -11.0092 -11.0092 -11.0006 -11.0006 -4.7482 -4.7482 -4.5420 -4.5420 -4.0103 -4.0103 -3.5434 -3.5434 -3.5344 -3.5344 -3.1479 -3.1479 -2.3658 -2.3658 -2.0696 -2.0696 -1.9518 -1.9518 -0.9639 -0.9639 -0.8779 -0.8779 -0.8628 -0.8628 -0.7698 -0.7698 -0.7084 -0.7084 -0.3705 -0.3705 -0.2143 -0.2143 -0.1863 -0.1863 -0.1455 -0.1455 0.0577 0.0577 0.2151 0.2151 0.3190 0.3190 0.6083 0.6083 0.6201 0.6201 0.7414 0.7414 0.7524 0.7524 0.8609 0.8609 0.8923 0.8923 2.1226 2.1226 2.6681 2.6681 k = 0.3640 0.2101 0.5944 ( 8474 PWs) bands (ev): -13.7058 -13.7058 -13.2206 -13.2206 -13.0883 -13.0883 -13.0659 -13.0659 -13.0248 -13.0248 -12.9760 -12.9760 -11.0083 -11.0083 -11.0013 -11.0013 -4.7367 -4.7367 -4.5497 -4.5497 -4.0183 -4.0183 -3.5462 -3.5462 -3.5339 -3.5339 -3.1499 -3.1499 -2.3759 -2.3759 -2.0699 -2.0699 -1.9476 -1.9476 -0.9499 -0.9499 -0.8693 -0.8693 -0.8506 -0.8506 -0.7856 -0.7856 -0.7412 -0.7412 -0.3544 -0.3544 -0.2096 -0.2096 -0.1822 -0.1822 -0.1218 -0.1218 0.0513 0.0513 0.1920 0.1920 0.3136 0.3136 0.6245 0.6245 0.6347 0.6347 0.7298 0.7298 0.7450 0.7450 0.8637 0.8637 0.8958 0.8958 2.1548 2.1548 2.6497 2.6497 k = 0.3529 0.2038 0.5764 ( 8478 PWs) bands (ev): -13.7073 -13.7073 -13.2212 -13.2212 -13.0886 -13.0886 -13.0666 -13.0666 -13.0240 -13.0240 -12.9731 -12.9731 -11.0073 -11.0073 -11.0020 -11.0020 -4.7249 -4.7249 -4.5571 -4.5571 -4.0274 -4.0274 -3.5491 -3.5491 -3.5334 -3.5334 -3.1521 -3.1521 -2.3869 -2.3869 -2.0747 -2.0747 -1.9404 -1.9404 -0.9353 -0.9353 -0.8670 -0.8670 -0.8415 -0.8415 -0.7992 -0.7992 -0.7612 -0.7612 -0.3377 -0.3377 -0.2052 -0.2052 -0.1810 -0.1810 -0.0955 -0.0955 0.0444 0.0444 0.1685 0.1685 0.3078 0.3078 0.6376 0.6376 0.6480 0.6480 0.7191 0.7191 0.7412 0.7412 0.8665 0.8665 0.8999 0.8999 2.1877 2.1877 2.6317 2.6317 k = 0.3419 0.1974 0.5583 ( 8486 PWs) bands (ev): -13.7093 -13.7093 -13.2213 -13.2213 -13.0892 -13.0892 -13.0667 -13.0667 -13.0232 -13.0232 -12.9705 -12.9705 -11.0062 -11.0062 -11.0027 -11.0027 -4.7128 -4.7128 -4.5642 -4.5642 -4.0380 -4.0380 -3.5522 -3.5522 -3.5327 -3.5327 -3.1545 -3.1545 -2.3983 -2.3983 -2.0834 -2.0834 -1.9318 -1.9318 -0.9216 -0.9216 -0.8727 -0.8727 -0.8410 -0.8410 -0.8100 -0.8100 -0.7597 -0.7597 -0.3207 -0.3207 -0.2014 -0.2014 -0.1803 -0.1803 -0.0689 -0.0689 0.0371 0.0371 0.1451 0.1451 0.3018 0.3018 0.6437 0.6437 0.6620 0.6620 0.7099 0.7099 0.7431 0.7431 0.8692 0.8692 0.9046 0.9046 2.2212 2.2212 2.6144 2.6144 k = 0.3309 0.1910 0.5403 ( 8482 PWs) bands (ev): -13.7119 -13.7119 -13.2206 -13.2206 -13.0900 -13.0900 -13.0663 -13.0663 -13.0225 -13.0225 -12.9681 -12.9681 -11.0052 -11.0052 -11.0034 -11.0034 -4.7005 -4.7005 -4.5709 -4.5709 -4.0499 -4.0499 -3.5554 -3.5554 -3.5322 -3.5322 -3.1572 -3.1572 -2.4100 -2.4100 -2.0948 -2.0948 -1.9231 -1.9231 -0.9186 -0.9186 -0.8785 -0.8785 -0.8429 -0.8429 -0.8168 -0.8168 -0.7426 -0.7426 -0.3039 -0.3039 -0.1984 -0.1984 -0.1790 -0.1790 -0.0427 -0.0427 0.0295 0.0295 0.1222 0.1222 0.2951 0.2951 0.6425 0.6425 0.6761 0.6761 0.7026 0.7026 0.7515 0.7515 0.8718 0.8718 0.9099 0.9099 2.2549 2.2549 2.5982 2.5982 k = 0.3199 0.1847 0.5223 ( 8478 PWs) bands (ev): -13.7152 -13.7152 -13.2192 -13.2192 -13.0909 -13.0909 -13.0656 -13.0656 -13.0217 -13.0217 -12.9660 -12.9660 -11.0041 -11.0041 -11.0039 -11.0039 -4.6881 -4.6881 -4.5769 -4.5769 -4.0632 -4.0632 -3.5586 -3.5586 -3.5317 -3.5317 -3.1603 -3.1603 -2.4218 -2.4218 -2.1081 -2.1081 -1.9157 -1.9157 -0.9359 -0.9359 -0.8678 -0.8678 -0.8467 -0.8467 -0.8168 -0.8168 -0.7193 -0.7193 -0.2879 -0.2879 -0.1963 -0.1963 -0.1765 -0.1765 -0.0175 -0.0175 0.0218 0.0218 0.1003 0.1003 0.2879 0.2879 0.6368 0.6368 0.6857 0.6857 0.7015 0.7015 0.7643 0.7643 0.8744 0.8744 0.9157 0.9157 2.2886 2.2886 2.5833 2.5833 k = 0.3088 0.1783 0.5043 ( 8464 PWs) bands (ev): -13.7191 -13.7191 -13.2170 -13.2170 -13.0918 -13.0918 -13.0646 -13.0646 -13.0209 -13.0209 -12.9642 -12.9642 -11.0046 -11.0046 -11.0029 -11.0029 -4.6758 -4.6758 -4.5823 -4.5823 -4.0780 -4.0780 -3.5619 -3.5619 -3.5315 -3.5315 -3.1637 -3.1637 -2.4334 -2.4334 -2.1228 -2.1228 -1.9105 -1.9105 -0.9596 -0.9596 -0.8569 -0.8569 -0.8459 -0.8459 -0.8109 -0.8109 -0.6934 -0.6934 -0.2737 -0.2737 -0.1943 -0.1943 -0.1732 -0.1732 0.0038 0.0038 0.0166 0.0166 0.0804 0.0804 0.2798 0.2798 0.6294 0.6294 0.6851 0.6851 0.7122 0.7122 0.7797 0.7797 0.8769 0.8769 0.9219 0.9219 2.3221 2.3221 2.5699 2.5699 k = 0.2978 0.1719 0.4863 ( 8456 PWs) bands (ev): -13.7237 -13.7237 -13.2140 -13.2140 -13.0926 -13.0926 -13.0634 -13.0634 -13.0201 -13.0201 -12.9626 -12.9626 -11.0052 -11.0052 -11.0017 -11.0017 -4.6637 -4.6637 -4.5869 -4.5869 -4.0943 -4.0943 -3.5651 -3.5651 -3.5316 -3.5316 -3.1675 -3.1675 -2.4448 -2.4448 -2.1385 -2.1385 -1.9081 -1.9081 -0.9826 -0.9826 -0.8615 -0.8615 -0.8300 -0.8300 -0.7996 -0.7996 -0.6666 -0.6666 -0.2625 -0.2625 -0.1909 -0.1909 -0.1698 -0.1698 0.0034 0.0034 0.0292 0.0292 0.0658 0.0658 0.2710 0.2710 0.6217 0.6217 0.6830 0.6830 0.7263 0.7263 0.7963 0.7963 0.8794 0.8794 0.9285 0.9285 2.3553 2.3553 2.5584 2.5584 k = 0.2868 0.1656 0.4683 ( 8460 PWs) bands (ev): -13.7288 -13.7288 -13.2102 -13.2102 -13.0933 -13.0933 -13.0621 -13.0621 -13.0194 -13.0194 -12.9614 -12.9614 -11.0057 -11.0057 -11.0005 -11.0005 -4.6518 -4.6518 -4.5907 -4.5907 -4.1120 -4.1120 -3.5684 -3.5684 -3.5320 -3.5320 -3.1719 -3.1719 -2.4557 -2.4557 -2.1549 -2.1549 -1.9090 -1.9090 -1.0032 -1.0032 -0.8669 -0.8669 -0.8163 -0.8163 -0.7815 -0.7815 -0.6394 -0.6394 -0.2555 -0.2555 -0.1853 -0.1853 -0.1670 -0.1670 -0.0032 -0.0032 0.0321 0.0321 0.0692 0.0692 0.2613 0.2613 0.6147 0.6147 0.6826 0.6826 0.7407 0.7407 0.8132 0.8132 0.8819 0.8819 0.9354 0.9354 2.3878 2.3878 2.5489 2.5489 k = 0.2757 0.1592 0.4503 ( 8458 PWs) bands (ev): -13.7346 -13.7346 -13.2056 -13.2056 -13.0939 -13.0939 -13.0608 -13.0608 -13.0186 -13.0186 -12.9604 -12.9604 -11.0061 -11.0061 -10.9992 -10.9992 -4.6403 -4.6403 -4.5934 -4.5934 -4.1311 -4.1311 -3.5717 -3.5717 -3.5329 -3.5329 -3.1768 -3.1768 -2.4660 -2.4660 -2.1717 -2.1717 -1.9133 -1.9133 -1.0204 -1.0204 -0.8714 -0.8714 -0.8059 -0.8059 -0.7581 -0.7581 -0.6126 -0.6126 -0.2528 -0.2528 -0.1784 -0.1784 -0.1652 -0.1652 -0.0086 -0.0086 0.0224 0.0224 0.0879 0.0879 0.2510 0.2510 0.6090 0.6090 0.6848 0.6848 0.7549 0.7549 0.8301 0.8301 0.8844 0.8844 0.9426 0.9426 2.4196 2.4196 2.5415 2.5415 k = 0.2647 0.1528 0.4323 ( 8460 PWs) bands (ev): -13.7410 -13.7410 -13.2003 -13.2003 -13.0942 -13.0942 -13.0593 -13.0593 -13.0179 -13.0179 -12.9597 -12.9597 -11.0065 -11.0065 -10.9979 -10.9979 -4.6292 -4.6292 -4.5950 -4.5950 -4.1514 -4.1514 -3.5750 -3.5750 -3.5343 -3.5343 -3.1822 -3.1822 -2.4758 -2.4758 -2.1888 -2.1888 -1.9212 -1.9212 -1.0340 -1.0340 -0.8746 -0.8746 -0.7968 -0.7968 -0.7322 -0.7322 -0.5863 -0.5863 -0.2534 -0.2534 -0.1743 -0.1743 -0.1628 -0.1628 -0.0118 -0.0118 0.0135 0.0135 0.1086 0.1086 0.2404 0.2404 0.6051 0.6051 0.6895 0.6895 0.7688 0.7688 0.8466 0.8466 0.8868 0.8868 0.9500 0.9500 2.4505 2.4505 2.5365 2.5365 k = 0.2537 0.1465 0.4143 ( 8460 PWs) bands (ev): -13.7478 -13.7478 -13.1943 -13.1943 -13.0942 -13.0942 -13.0579 -13.0579 -13.0173 -13.0173 -12.9593 -12.9593 -11.0068 -11.0068 -10.9967 -10.9967 -4.6190 -4.6190 -4.5952 -4.5952 -4.1730 -4.1730 -3.5782 -3.5782 -3.5361 -3.5361 -3.1882 -3.1882 -2.4850 -2.4850 -2.2059 -2.2059 -1.9327 -1.9327 -1.0437 -1.0437 -0.8766 -0.8766 -0.7882 -0.7882 -0.7052 -0.7052 -0.5611 -0.5611 -0.2563 -0.2563 -0.1770 -0.1770 -0.1580 -0.1580 -0.0128 -0.0128 0.0088 0.0088 0.1288 0.1288 0.2300 0.2300 0.6033 0.6033 0.6967 0.6967 0.7822 0.7822 0.8626 0.8626 0.8892 0.8892 0.9577 0.9577 2.4804 2.4804 2.5340 2.5340 k = 0.2426 0.1401 0.3962 ( 8468 PWs) bands (ev): -13.7551 -13.7551 -13.1877 -13.1877 -13.0940 -13.0940 -13.0564 -13.0564 -13.0166 -13.0166 -12.9592 -12.9592 -11.0070 -11.0070 -10.9954 -10.9954 -4.6101 -4.6101 -4.5935 -4.5935 -4.1957 -4.1957 -3.5813 -3.5813 -3.5385 -3.5385 -3.1948 -3.1948 -2.4936 -2.4936 -2.2230 -2.2230 -1.9477 -1.9477 -1.0495 -1.0495 -0.8774 -0.8774 -0.7795 -0.7795 -0.6780 -0.6780 -0.5371 -0.5371 -0.2605 -0.2605 -0.1842 -0.1842 -0.1548 -0.1548 -0.0123 -0.0123 0.0101 0.0101 0.1476 0.1476 0.2210 0.2210 0.6038 0.6038 0.7064 0.7064 0.7951 0.7951 0.8779 0.8779 0.8917 0.8917 0.9655 0.9655 2.5085 2.5085 2.5345 2.5345 k = 0.2316 0.1337 0.3782 ( 8454 PWs) bands (ev): -13.7628 -13.7628 -13.1805 -13.1805 -13.0936 -13.0936 -13.0549 -13.0549 -13.0160 -13.0160 -12.9595 -12.9595 -11.0072 -11.0072 -10.9941 -10.9941 -4.6036 -4.6036 -4.5890 -4.5890 -4.2193 -4.2193 -3.5844 -3.5844 -3.5413 -3.5413 -3.2020 -3.2020 -2.5016 -2.5016 -2.2399 -2.2399 -1.9659 -1.9659 -1.0514 -1.0514 -0.8769 -0.8769 -0.7706 -0.7706 -0.6513 -0.6513 -0.5146 -0.5146 -0.2657 -0.2657 -0.1940 -0.1940 -0.1550 -0.1550 -0.0109 -0.0109 0.0173 0.0173 0.1635 0.1635 0.2153 0.2153 0.6067 0.6067 0.7182 0.7182 0.8076 0.8076 0.8924 0.8924 0.8943 0.8943 0.9735 0.9735 2.5301 2.5301 2.5429 2.5429 k = 0.2206 0.1274 0.3602 ( 8448 PWs) bands (ev): -13.7707 -13.7707 -13.1729 -13.1729 -13.0929 -13.0929 -13.0535 -13.0535 -13.0154 -13.0154 -12.9600 -12.9600 -11.0072 -11.0072 -10.9928 -10.9928 -4.5991 -4.5991 -4.5819 -4.5819 -4.2436 -4.2436 -3.5873 -3.5873 -3.5446 -3.5446 -3.2097 -3.2097 -2.5092 -2.5092 -2.2564 -2.2564 -1.9870 -1.9870 -1.0494 -1.0494 -0.8752 -0.8752 -0.7615 -0.7615 -0.6256 -0.6256 -0.4938 -0.4938 -0.2714 -0.2714 -0.2054 -0.2054 -0.1591 -0.1591 -0.0090 -0.0090 0.0289 0.0289 0.1742 0.1742 0.2161 0.2161 0.6122 0.6122 0.7320 0.7320 0.8197 0.8197 0.8964 0.8964 0.9066 0.9066 0.9815 0.9815 2.5381 2.5381 2.5661 2.5661 k = 0.2096 0.1210 0.3422 ( 8442 PWs) bands (ev): -13.7789 -13.7789 -13.1649 -13.1649 -13.0919 -13.0919 -13.0520 -13.0520 -13.0149 -13.0149 -12.9608 -12.9608 -11.0072 -11.0072 -10.9915 -10.9915 -4.5952 -4.5952 -4.5739 -4.5739 -4.2686 -4.2686 -3.5902 -3.5902 -3.5483 -3.5483 -3.2178 -3.2178 -2.5165 -2.5165 -2.2725 -2.2725 -2.0108 -2.0108 -1.0439 -1.0439 -0.8725 -0.8725 -0.7519 -0.7519 -0.6014 -0.6014 -0.4748 -0.4748 -0.2777 -0.2777 -0.2176 -0.2176 -0.1663 -0.1663 -0.0079 -0.0079 0.0438 0.0438 0.1795 0.1795 0.2249 0.2249 0.6204 0.6204 0.7473 0.7473 0.8312 0.8312 0.8988 0.8988 0.9197 0.9197 0.9897 0.9897 2.5456 2.5456 2.5909 2.5909 k = 0.1985 0.1146 0.3242 ( 8444 PWs) bands (ev): -13.7871 -13.7871 -13.1567 -13.1567 -13.0906 -13.0906 -13.0506 -13.0506 -13.0143 -13.0143 -12.9619 -12.9619 -11.0072 -11.0072 -10.9903 -10.9903 -4.5909 -4.5909 -4.5659 -4.5659 -4.2939 -4.2939 -3.5928 -3.5928 -3.5523 -3.5523 -3.2262 -3.2262 -2.5235 -2.5235 -2.2881 -2.2881 -2.0369 -2.0369 -1.0350 -1.0350 -0.8687 -0.8687 -0.7418 -0.7418 -0.5789 -0.5789 -0.4575 -0.4575 -0.2844 -0.2844 -0.2299 -0.2299 -0.1760 -0.1760 -0.0092 -0.0092 0.0612 0.0612 0.1836 0.1836 0.2380 0.2380 0.6310 0.6310 0.7637 0.7637 0.8424 0.8424 0.9011 0.9011 0.9320 0.9320 0.9978 0.9978 2.5551 2.5551 2.6147 2.6147 k = 0.1875 0.1083 0.3062 ( 8450 PWs) bands (ev): -13.7954 -13.7954 -13.1483 -13.1483 -13.0890 -13.0890 -13.0492 -13.0492 -13.0139 -13.0139 -12.9633 -12.9633 -11.0070 -11.0070 -10.9890 -10.9890 -4.5861 -4.5861 -4.5581 -4.5581 -4.3194 -4.3194 -3.5954 -3.5954 -3.5566 -3.5566 -3.2349 -3.2349 -2.5304 -2.5304 -2.3029 -2.3029 -2.0648 -2.0648 -1.0231 -1.0231 -0.8640 -0.8640 -0.7311 -0.7311 -0.5585 -0.5585 -0.4420 -0.4420 -0.2915 -0.2915 -0.2419 -0.2419 -0.1872 -0.1872 -0.0140 -0.0140 0.0805 0.0805 0.1901 0.1901 0.2525 0.2525 0.6441 0.6441 0.7809 0.7809 0.8533 0.8533 0.9034 0.9034 0.9434 0.9434 1.0059 1.0059 2.5666 2.5666 2.6372 2.6372 k = 0.1765 0.1019 0.2882 ( 8438 PWs) bands (ev): -13.8037 -13.8037 -13.1400 -13.1400 -13.0871 -13.0871 -13.0478 -13.0478 -13.0134 -13.0134 -12.9650 -12.9650 -11.0068 -11.0068 -10.9878 -10.9878 -4.5806 -4.5806 -4.5509 -4.5509 -4.3449 -4.3449 -3.5977 -3.5977 -3.5611 -3.5611 -3.2438 -3.2438 -2.5372 -2.5372 -2.3170 -2.3170 -2.0941 -2.0941 -1.0085 -1.0085 -0.8586 -0.8586 -0.7197 -0.7197 -0.5403 -0.5403 -0.4280 -0.4280 -0.2991 -0.2991 -0.2533 -0.2533 -0.1995 -0.1995 -0.0226 -0.0226 0.1012 0.1012 0.1999 0.1999 0.2671 0.2671 0.6594 0.6594 0.7983 0.7983 0.8641 0.8641 0.9058 0.9058 0.9541 0.9541 1.0140 1.0140 2.5801 2.5801 2.6584 2.6584 k = 0.1654 0.0955 0.2702 ( 8422 PWs) bands (ev): -13.8118 -13.8118 -13.1317 -13.1317 -13.0850 -13.0850 -13.0465 -13.0465 -13.0130 -13.0130 -12.9669 -12.9669 -11.0066 -11.0066 -10.9866 -10.9866 -4.5746 -4.5746 -4.5441 -4.5441 -4.3701 -4.3701 -3.5999 -3.5999 -3.5656 -3.5656 -3.2527 -3.2527 -2.5442 -2.5442 -2.3303 -2.3303 -2.1245 -2.1245 -0.9917 -0.9917 -0.8524 -0.8524 -0.7074 -0.7074 -0.5243 -0.5243 -0.4155 -0.4155 -0.3070 -0.3070 -0.2639 -0.2639 -0.2123 -0.2123 -0.0346 -0.0346 0.1230 0.1230 0.2127 0.2127 0.2811 0.2811 0.6766 0.6766 0.8152 0.8152 0.8749 0.8749 0.9083 0.9083 0.9640 0.9640 1.0219 1.0219 2.5953 2.5953 2.6781 2.6781 k = 0.1544 0.0891 0.2522 ( 8432 PWs) bands (ev): -13.8198 -13.8198 -13.1237 -13.1237 -13.0824 -13.0824 -13.0451 -13.0451 -13.0126 -13.0126 -12.9691 -12.9691 -11.0063 -11.0063 -10.9854 -10.9854 -4.5680 -4.5680 -4.5380 -4.5380 -4.3948 -4.3948 -3.6019 -3.6019 -3.5703 -3.5703 -3.2615 -3.2615 -2.5513 -2.5513 -2.3428 -2.3428 -2.1554 -2.1554 -0.9731 -0.9731 -0.8457 -0.8457 -0.6940 -0.6940 -0.5107 -0.5107 -0.4043 -0.4043 -0.3152 -0.3152 -0.2738 -0.2738 -0.2253 -0.2253 -0.0494 -0.0494 0.1452 0.1452 0.2276 0.2276 0.2946 0.2946 0.6953 0.6953 0.8311 0.8311 0.8859 0.8859 0.9111 0.9111 0.9731 0.9731 1.0296 1.0296 2.6120 2.6120 2.6963 2.6963 k = 0.1434 0.0828 0.2341 ( 8430 PWs) bands (ev): -13.8275 -13.8275 -13.1161 -13.1161 -13.0795 -13.0795 -13.0438 -13.0438 -13.0122 -13.0122 -12.9715 -12.9715 -11.0060 -11.0060 -10.9843 -10.9843 -4.5610 -4.5610 -4.5325 -4.5325 -4.4186 -4.4186 -3.6036 -3.6036 -3.5749 -3.5749 -3.2701 -3.2701 -2.5586 -2.5586 -2.3543 -2.3543 -2.1863 -2.1863 -0.9534 -0.9534 -0.8386 -0.8386 -0.6795 -0.6795 -0.4993 -0.4993 -0.3944 -0.3944 -0.3234 -0.3234 -0.2831 -0.2831 -0.2380 -0.2380 -0.0662 -0.0662 0.1675 0.1675 0.2439 0.2439 0.3073 0.3073 0.7153 0.7153 0.8453 0.8453 0.8967 0.8967 0.9151 0.9151 0.9814 0.9814 1.0371 1.0371 2.6299 2.6299 2.7131 2.7131 k = 0.1324 0.0764 0.2161 ( 8430 PWs) bands (ev): -13.8349 -13.8349 -13.1090 -13.1090 -13.0762 -13.0762 -13.0425 -13.0425 -13.0119 -13.0119 -12.9741 -12.9741 -11.0056 -11.0056 -10.9832 -10.9832 -4.5537 -4.5537 -4.5278 -4.5278 -4.4414 -4.4414 -3.6050 -3.6050 -3.5793 -3.5793 -3.2785 -3.2785 -2.5662 -2.5662 -2.3649 -2.3649 -2.2169 -2.2169 -0.9329 -0.9329 -0.8312 -0.8312 -0.6637 -0.6637 -0.4900 -0.4900 -0.3856 -0.3856 -0.3314 -0.3314 -0.2920 -0.2920 -0.2501 -0.2501 -0.0847 -0.0847 0.1894 0.1894 0.2609 0.2609 0.3193 0.3193 0.7360 0.7360 0.8574 0.8574 0.9053 0.9053 0.9222 0.9222 0.9891 0.9891 1.0443 1.0443 2.6488 2.6488 2.7285 2.7285 k = 0.1213 0.0700 0.1981 ( 8456 PWs) bands (ev): -13.8419 -13.8419 -13.1026 -13.1026 -13.0724 -13.0724 -13.0412 -13.0412 -13.0116 -13.0116 -12.9770 -12.9770 -11.0053 -11.0053 -10.9822 -10.9822 -4.5463 -4.5463 -4.5242 -4.5242 -4.4624 -4.4624 -3.6063 -3.6063 -3.5836 -3.5836 -3.2865 -3.2865 -2.5740 -2.5740 -2.3745 -2.3745 -2.2466 -2.2466 -0.9123 -0.9123 -0.8238 -0.8238 -0.6464 -0.6464 -0.4827 -0.4827 -0.3781 -0.3781 -0.3391 -0.3391 -0.3004 -0.3004 -0.2615 -0.2615 -0.1043 -0.1043 0.2103 0.2103 0.2782 0.2782 0.3305 0.3305 0.7570 0.7570 0.8674 0.8674 0.9102 0.9102 0.9339 0.9339 0.9960 0.9960 1.0512 1.0512 2.6682 2.6682 2.7424 2.7424 k = 0.1103 0.0637 0.1801 ( 8460 PWs) bands (ev): -13.8484 -13.8484 -13.0969 -13.0969 -13.0683 -13.0683 -13.0399 -13.0399 -13.0112 -13.0112 -12.9800 -12.9800 -11.0049 -11.0049 -10.9813 -10.9813 -4.5388 -4.5388 -4.5227 -4.5227 -4.4806 -4.4806 -3.6072 -3.6072 -3.5877 -3.5877 -3.2941 -3.2941 -2.5820 -2.5820 -2.3832 -2.3832 -2.2751 -2.2751 -0.8919 -0.8919 -0.8164 -0.8164 -0.6276 -0.6276 -0.4771 -0.4771 -0.3723 -0.3723 -0.3462 -0.3462 -0.3080 -0.3080 -0.2718 -0.2718 -0.1249 -0.1249 0.2301 0.2301 0.2953 0.2953 0.3410 0.3410 0.7777 0.7777 0.8755 0.8755 0.9132 0.9132 0.9478 0.9478 1.0023 1.0023 1.0578 1.0578 2.6878 2.6878 2.7549 2.7549 k = 0.0993 0.0573 0.1621 ( 8448 PWs) bands (ev): -13.8545 -13.8545 -13.0920 -13.0920 -13.0637 -13.0637 -13.0386 -13.0386 -13.0109 -13.0109 -12.9832 -12.9832 -11.0045 -11.0045 -10.9804 -10.9804 -4.5318 -4.5318 -4.5253 -4.5253 -4.4934 -4.4934 -3.6080 -3.6080 -3.5915 -3.5915 -3.3011 -3.3011 -2.5901 -2.5901 -2.3910 -2.3910 -2.3018 -2.3018 -0.8722 -0.8722 -0.8093 -0.8093 -0.6073 -0.6073 -0.4730 -0.4730 -0.3687 -0.3687 -0.3526 -0.3526 -0.3144 -0.3144 -0.2810 -0.2810 -0.1462 -0.1462 0.2483 0.2483 0.3119 0.3119 0.3506 0.3506 0.7978 0.7978 0.8823 0.8823 0.9154 0.9154 0.9621 0.9621 1.0080 1.0080 1.0640 1.0640 2.7072 2.7072 2.7660 2.7660 k = 0.0882 0.0509 0.1441 ( 8451 PWs) bands (ev): -13.8601 -13.8601 -13.0879 -13.0879 -13.0589 -13.0589 -13.0373 -13.0373 -13.0106 -13.0106 -12.9865 -12.9865 -11.0041 -11.0041 -10.9796 -10.9796 -4.5358 -4.5358 -4.5239 -4.5239 -4.4984 -4.4984 -3.6085 -3.6085 -3.5949 -3.5949 -3.3075 -3.3075 -2.5983 -2.5983 -2.3979 -2.3979 -2.3265 -2.3265 -0.8536 -0.8536 -0.8026 -0.8026 -0.5856 -0.5856 -0.4702 -0.4702 -0.3678 -0.3678 -0.3586 -0.3586 -0.3186 -0.3186 -0.2889 -0.2889 -0.1681 -0.1681 0.2647 0.2647 0.3277 0.3277 0.3595 0.3595 0.8166 0.8166 0.8881 0.8881 0.9173 0.9173 0.9759 0.9759 1.0130 1.0130 1.0698 1.0698 2.7260 2.7260 2.7757 2.7757 k = 0.0772 0.0446 0.1261 ( 8445 PWs) bands (ev): -13.8651 -13.8651 -13.0844 -13.0844 -13.0541 -13.0541 -13.0360 -13.0360 -13.0103 -13.0103 -12.9898 -12.9898 -11.0038 -11.0038 -10.9789 -10.9789 -4.5486 -4.5486 -4.5174 -4.5174 -4.4988 -4.4988 -3.6087 -3.6087 -3.5980 -3.5980 -3.3133 -3.3133 -2.6064 -2.6064 -2.4039 -2.4039 -2.3488 -2.3488 -0.8364 -0.8364 -0.7963 -0.7963 -0.5625 -0.5625 -0.4686 -0.4686 -0.3692 -0.3692 -0.3647 -0.3647 -0.3202 -0.3202 -0.2955 -0.2955 -0.1904 -0.1904 0.2791 0.2791 0.3425 0.3425 0.3675 0.3675 0.8336 0.8336 0.8935 0.8935 0.9190 0.9190 0.9886 0.9886 1.0174 1.0174 1.0752 1.0752 2.7437 2.7437 2.7841 2.7841 k = 0.0662 0.0382 0.1081 ( 8461 PWs) bands (ev): -13.8695 -13.8695 -13.0814 -13.0814 -13.0494 -13.0494 -13.0347 -13.0347 -13.0101 -13.0101 -12.9933 -12.9933 -11.0035 -11.0035 -10.9783 -10.9783 -4.5615 -4.5615 -4.5112 -4.5112 -4.4977 -4.4977 -3.6089 -3.6089 -3.6007 -3.6007 -3.3185 -3.3185 -2.6141 -2.6141 -2.4091 -2.4091 -2.3684 -2.3684 -0.8208 -0.8208 -0.7906 -0.7906 -0.5385 -0.5385 -0.4680 -0.4680 -0.3722 -0.3722 -0.3710 -0.3710 -0.3199 -0.3199 -0.3010 -0.3010 -0.2131 -0.2131 0.2915 0.2915 0.3559 0.3559 0.3747 0.3747 0.8482 0.8482 0.8987 0.8987 0.9205 0.9205 1.0000 1.0000 1.0212 1.0212 1.0802 1.0802 2.7601 2.7601 2.7912 2.7912 k = 0.0551 0.0318 0.0901 ( 8463 PWs) bands (ev): -13.8733 -13.8733 -13.0790 -13.0790 -13.0448 -13.0448 -13.0336 -13.0336 -13.0098 -13.0098 -12.9968 -12.9968 -11.0032 -11.0032 -10.9777 -10.9777 -4.5731 -4.5731 -4.5058 -4.5058 -4.4963 -4.4963 -3.6088 -3.6088 -3.6030 -3.6030 -3.3228 -3.3228 -2.6214 -2.6214 -2.4134 -2.4134 -2.3851 -2.3851 -0.8071 -0.8071 -0.7857 -0.7857 -0.5138 -0.5138 -0.4679 -0.4679 -0.3786 -0.3786 -0.3743 -0.3743 -0.3188 -0.3188 -0.3052 -0.3052 -0.2358 -0.2358 0.3019 0.3019 0.3677 0.3677 0.3810 0.3810 0.8598 0.8598 0.9043 0.9043 0.9217 0.9217 1.0097 1.0097 1.0244 1.0244 1.0848 1.0848 2.7746 2.7746 2.7972 2.7972 k = 0.0441 0.0255 0.0720 ( 8465 PWs) bands (ev): -13.8764 -13.8764 -13.0771 -13.0771 -13.0406 -13.0406 -13.0325 -13.0325 -13.0095 -13.0095 -13.0001 -13.0001 -11.0029 -11.0029 -10.9773 -10.9773 -4.5830 -4.5830 -4.5012 -4.5012 -4.4950 -4.4950 -3.6087 -3.6087 -3.6049 -3.6049 -3.3265 -3.3265 -2.6278 -2.6278 -2.4170 -2.4170 -2.3988 -2.3988 -0.7955 -0.7955 -0.7815 -0.7815 -0.4888 -0.4888 -0.4683 -0.4683 -0.3852 -0.3852 -0.3769 -0.3769 -0.3181 -0.3181 -0.3079 -0.3079 -0.2581 -0.2581 0.3103 0.3103 0.3777 0.3777 0.3863 0.3863 0.8682 0.8682 0.9102 0.9102 0.9228 0.9228 1.0176 1.0176 1.0270 1.0270 1.0887 1.0887 2.7870 2.7870 2.8019 2.8019 k = 0.0331 0.0191 0.0540 ( 8457 PWs) bands (ev): -13.8788 -13.8788 -13.0756 -13.0756 -13.0368 -13.0368 -13.0316 -13.0316 -13.0093 -13.0093 -13.0034 -13.0034 -11.0027 -11.0027 -10.9769 -10.9769 -4.5909 -4.5909 -4.4975 -4.4975 -4.4940 -4.4940 -3.6086 -3.6086 -3.6064 -3.6064 -3.3293 -3.3293 -2.6332 -2.6332 -2.4197 -2.4197 -2.4095 -2.4095 -0.7862 -0.7862 -0.7782 -0.7782 -0.4690 -0.4690 -0.4638 -0.4638 -0.3909 -0.3909 -0.3797 -0.3797 -0.3194 -0.3194 -0.3088 -0.3088 -0.2791 -0.2791 0.3168 0.3168 0.3856 0.3856 0.3905 0.3905 0.8739 0.8739 0.9159 0.9159 0.9237 0.9237 1.0238 1.0238 1.0290 1.0290 1.0920 1.0920 2.7970 2.7970 2.8056 2.8056 k = 0.0221 0.0127 0.0360 ( 8441 PWs) bands (ev): -13.8806 -13.8806 -13.0745 -13.0745 -13.0335 -13.0335 -13.0310 -13.0310 -13.0091 -13.0091 -13.0062 -13.0062 -11.0026 -11.0026 -10.9766 -10.9766 -4.5966 -4.5966 -4.4947 -4.4947 -4.4932 -4.4932 -3.6085 -3.6085 -3.6075 -3.6075 -3.3314 -3.3314 -2.6373 -2.6373 -2.4216 -2.4216 -2.4171 -2.4171 -0.7794 -0.7794 -0.7758 -0.7758 -0.4695 -0.4695 -0.4398 -0.4398 -0.3953 -0.3953 -0.3831 -0.3831 -0.3235 -0.3235 -0.3085 -0.3085 -0.2961 -0.2961 0.3213 0.3213 0.3914 0.3914 0.3936 0.3936 0.8774 0.8774 0.9206 0.9206 0.9243 0.9243 1.0281 1.0281 1.0304 1.0304 1.0945 1.0945 2.8043 2.8043 2.8082 2.8082 k = 0.0110 0.0064 0.0180 ( 8405 PWs) bands (ev): -13.8816 -13.8816 -13.0738 -13.0738 -13.0313 -13.0313 -13.0306 -13.0306 -13.0090 -13.0090 -13.0082 -13.0082 -11.0025 -11.0025 -10.9765 -10.9765 -4.6000 -4.6000 -4.4931 -4.4931 -4.4927 -4.4927 -3.6083 -3.6083 -3.6081 -3.6081 -3.3326 -3.3326 -2.6398 -2.6398 -2.4228 -2.4228 -2.4217 -2.4217 -0.7752 -0.7752 -0.7743 -0.7743 -0.4700 -0.4700 -0.4179 -0.4179 -0.3980 -0.3980 -0.3889 -0.3889 -0.3308 -0.3308 -0.3080 -0.3080 -0.3054 -0.3054 0.3241 0.3241 0.3949 0.3949 0.3955 0.3955 0.8792 0.8792 0.9238 0.9238 0.9247 0.9247 1.0307 1.0307 1.0313 1.0313 1.0960 1.0960 2.8087 2.8087 2.8097 2.8097 k = 0.0000 0.0000 0.0000 ( 8393 PWs) bands (ev): -13.8820 -13.8820 -13.0736 -13.0736 -13.0304 -13.0304 -13.0304 -13.0304 -13.0090 -13.0090 -13.0090 -13.0090 -11.0025 -11.0025 -10.9764 -10.9764 -4.6012 -4.6012 -4.4925 -4.4925 -4.4925 -4.4925 -3.6083 -3.6083 -3.6083 -3.6083 -3.3330 -3.3330 -2.6406 -2.6406 -2.4232 -2.4232 -2.4232 -2.4232 -0.7738 -0.7738 -0.7738 -0.7738 -0.4701 -0.4701 -0.4014 -0.4014 -0.3990 -0.3990 -0.3990 -0.3990 -0.3350 -0.3350 -0.3078 -0.3078 -0.3078 -0.3078 0.3250 0.3250 0.3961 0.3961 0.3961 0.3961 0.8798 0.8798 0.9249 0.9249 0.9249 0.9249 1.0316 1.0316 1.0316 1.0316 1.0966 1.0966 2.8102 2.8102 2.8102 2.8102 k = 0.0000 0.0000 0.0000 ( 8393 PWs) bands (ev): -13.8820 -13.8820 -13.0736 -13.0736 -13.0304 -13.0304 -13.0304 -13.0304 -13.0090 -13.0090 -13.0090 -13.0090 -11.0025 -11.0025 -10.9764 -10.9764 -4.6012 -4.6012 -4.4925 -4.4925 -4.4925 -4.4925 -3.6083 -3.6083 -3.6083 -3.6083 -3.3330 -3.3330 -2.6406 -2.6406 -2.4232 -2.4232 -2.4232 -2.4232 -0.7738 -0.7738 -0.7738 -0.7738 -0.4701 -0.4701 -0.4014 -0.4014 -0.3990 -0.3990 -0.3990 -0.3990 -0.3350 -0.3350 -0.3078 -0.3078 -0.3078 -0.3078 0.3250 0.3250 0.3961 0.3961 0.3961 0.3961 0.8798 0.8798 0.9249 0.9249 0.9249 0.9249 1.0316 1.0316 1.0316 1.0316 1.0966 1.0966 2.8102 2.8102 2.8102 2.8102 k = 0.0179 0.0103 0.0073 ( 8405 PWs) bands (ev): -13.8816 -13.8816 -13.0738 -13.0738 -13.0312 -13.0312 -13.0306 -13.0306 -13.0090 -13.0090 -13.0082 -13.0082 -11.0025 -11.0025 -10.9765 -10.9765 -4.6000 -4.6000 -4.4929 -4.4929 -4.4928 -4.4928 -3.6084 -3.6084 -3.6081 -3.6081 -3.3326 -3.3326 -2.6398 -2.6398 -2.4228 -2.4228 -2.4216 -2.4216 -0.7749 -0.7749 -0.7746 -0.7746 -0.4700 -0.4700 -0.4178 -0.4178 -0.3981 -0.3981 -0.3889 -0.3889 -0.3308 -0.3308 -0.3078 -0.3078 -0.3057 -0.3057 0.3241 0.3241 0.3950 0.3950 0.3954 0.3954 0.8792 0.8792 0.9238 0.9238 0.9248 0.9248 1.0307 1.0307 1.0313 1.0313 1.0960 1.0960 2.8092 2.8092 2.8093 2.8093 k = 0.0357 0.0206 0.0146 ( 8429 PWs) bands (ev): -13.8806 -13.8806 -13.0745 -13.0745 -13.0332 -13.0332 -13.0313 -13.0313 -13.0091 -13.0091 -13.0062 -13.0062 -11.0026 -11.0026 -10.9766 -10.9766 -4.5966 -4.5966 -4.4942 -4.4942 -4.4937 -4.4937 -3.6085 -3.6085 -3.6075 -3.6075 -3.3314 -3.3314 -2.6373 -2.6373 -2.4218 -2.4218 -2.4170 -2.4170 -0.7781 -0.7781 -0.7769 -0.7769 -0.4695 -0.4695 -0.4397 -0.4397 -0.3956 -0.3956 -0.3826 -0.3826 -0.3234 -0.3234 -0.3079 -0.3079 -0.2972 -0.2972 0.3214 0.3214 0.3919 0.3919 0.3932 0.3932 0.8774 0.8774 0.9206 0.9206 0.9245 0.9245 1.0281 1.0281 1.0305 1.0305 1.0945 1.0945 2.8062 2.8062 2.8064 2.8064 k = 0.0536 0.0309 0.0219 ( 8447 PWs) bands (ev): -13.8789 -13.8789 -13.0755 -13.0755 -13.0360 -13.0360 -13.0325 -13.0325 -13.0091 -13.0091 -13.0034 -13.0034 -11.0027 -11.0027 -10.9769 -10.9769 -4.5910 -4.5910 -4.4962 -4.4962 -4.4951 -4.4951 -3.6087 -3.6087 -3.6064 -3.6064 -3.3294 -3.3294 -2.6334 -2.6334 -2.4200 -2.4200 -2.4094 -2.4094 -0.7834 -0.7834 -0.7808 -0.7808 -0.4687 -0.4687 -0.4642 -0.4642 -0.3915 -0.3915 -0.3782 -0.3782 -0.3188 -0.3188 -0.3080 -0.3080 -0.2813 -0.2813 0.3170 0.3170 0.3866 0.3866 0.3896 0.3896 0.8739 0.8739 0.9158 0.9158 0.9240 0.9240 1.0237 1.0237 1.0292 1.0292 1.0921 1.0921 2.8012 2.8012 2.8017 2.8017 k = 0.0714 0.0412 0.0292 ( 8456 PWs) bands (ev): -13.8765 -13.8765 -13.0769 -13.0769 -13.0393 -13.0393 -13.0344 -13.0344 -13.0090 -13.0090 -13.0001 -13.0001 -11.0029 -11.0029 -10.9772 -10.9772 -4.5832 -4.5832 -4.4990 -4.4990 -4.4972 -4.4972 -3.6089 -3.6089 -3.6048 -3.6048 -3.3266 -3.3266 -2.6283 -2.6283 -2.4172 -2.4172 -2.3989 -2.3989 -0.7904 -0.7904 -0.7863 -0.7863 -0.4900 -0.4900 -0.4676 -0.4676 -0.3860 -0.3860 -0.3742 -0.3742 -0.3158 -0.3158 -0.3081 -0.3081 -0.2616 -0.2616 0.3109 0.3109 0.3793 0.3793 0.3847 0.3847 0.8680 0.8680 0.9104 0.9104 0.9234 0.9234 1.0174 1.0174 1.0275 1.0275 1.0889 1.0889 2.7944 2.7944 2.7952 2.7952 k = 0.0893 0.0515 0.0365 ( 8465 PWs) bands (ev): -13.8734 -13.8734 -13.0787 -13.0787 -13.0427 -13.0427 -13.0370 -13.0370 -13.0087 -13.0087 -12.9967 -12.9967 -11.0032 -11.0032 -10.9777 -10.9777 -4.5733 -4.5733 -4.5025 -4.5025 -4.4997 -4.4997 -3.6091 -3.6091 -3.6029 -3.6029 -3.3230 -3.3230 -2.6224 -2.6224 -2.4132 -2.4132 -2.3856 -2.3856 -0.7991 -0.7991 -0.7933 -0.7933 -0.5167 -0.5167 -0.4661 -0.4661 -0.3794 -0.3794 -0.3699 -0.3699 -0.3131 -0.3131 -0.3081 -0.3081 -0.2408 -0.2408 0.3030 0.3030 0.3701 0.3701 0.3786 0.3786 0.8589 0.8589 0.9052 0.9052 0.9225 0.9225 1.0091 1.0091 1.0253 1.0253 1.0851 1.0851 2.7858 2.7858 2.7871 2.7871 k = 0.1071 0.0619 0.0437 ( 8456 PWs) bands (ev): -13.8697 -13.8697 -13.0809 -13.0809 -13.0463 -13.0463 -13.0403 -13.0403 -13.0080 -13.0080 -12.9931 -12.9931 -11.0034 -11.0034 -10.9782 -10.9782 -4.5614 -4.5614 -4.5066 -4.5066 -4.5028 -4.5028 -3.6092 -3.6092 -3.6005 -3.6005 -3.3187 -3.3187 -2.6163 -2.6163 -2.4076 -2.4076 -2.3696 -2.3696 -0.8091 -0.8091 -0.8019 -0.8019 -0.5438 -0.5438 -0.4642 -0.4642 -0.3719 -0.3719 -0.3650 -0.3650 -0.3101 -0.3101 -0.3081 -0.3081 -0.2198 -0.2198 0.2935 0.2935 0.3588 0.3588 0.3712 0.3712 0.8463 0.8463 0.9008 0.9008 0.9215 0.9215 0.9988 0.9988 1.0227 1.0227 1.0808 1.0808 2.7756 2.7756 2.7774 2.7774 k = 0.1250 0.0722 0.0510 ( 8450 PWs) bands (ev): -13.8654 -13.8654 -13.0835 -13.0835 -13.0498 -13.0498 -13.0442 -13.0442 -13.0071 -13.0071 -12.9896 -12.9896 -11.0037 -11.0037 -10.9789 -10.9789 -4.5476 -4.5476 -4.5112 -4.5112 -4.5063 -4.5063 -3.6093 -3.6093 -3.5976 -3.5976 -3.3137 -3.3137 -2.6104 -2.6104 -2.4001 -2.4001 -2.3513 -2.3513 -0.8202 -0.8202 -0.8121 -0.8121 -0.5713 -0.5713 -0.4619 -0.4619 -0.3639 -0.3639 -0.3595 -0.3595 -0.3079 -0.3079 -0.3064 -0.3064 -0.1992 -0.1992 0.2823 0.2823 0.3458 0.3458 0.3628 0.3628 0.8303 0.8303 0.8973 0.8973 0.9203 0.9203 0.9865 0.9865 1.0197 1.0197 1.0761 1.0761 2.7640 2.7640 2.7665 2.7665 k = 0.1429 0.0825 0.0583 ( 8456 PWs) bands (ev): -13.8605 -13.8605 -13.0866 -13.0866 -13.0534 -13.0534 -13.0486 -13.0486 -13.0060 -13.0060 -12.9860 -12.9860 -11.0041 -11.0041 -10.9796 -10.9796 -4.5327 -4.5327 -4.5156 -4.5156 -4.5102 -4.5102 -3.6092 -3.6092 -3.5943 -3.5943 -3.3080 -3.3080 -2.6054 -2.6054 -2.3904 -2.3904 -2.3307 -2.3307 -0.8322 -0.8322 -0.8236 -0.8236 -0.5988 -0.5988 -0.4593 -0.4593 -0.3558 -0.3558 -0.3532 -0.3532 -0.3073 -0.3073 -0.3020 -0.3020 -0.1792 -0.1792 0.2697 0.2697 0.3309 0.3309 0.3534 0.3534 0.8115 0.8115 0.8943 0.8943 0.9188 0.9188 0.9720 0.9720 1.0165 1.0165 1.0712 1.0712 2.7512 2.7512 2.7544 2.7544 k = 0.1607 0.0928 0.0656 ( 8465 PWs) bands (ev): -13.8550 -13.8550 -13.0902 -13.0902 -13.0569 -13.0569 -13.0534 -13.0534 -13.0047 -13.0047 -12.9825 -12.9825 -11.0044 -11.0044 -10.9804 -10.9804 -4.5252 -4.5252 -4.5145 -4.5145 -4.5114 -4.5114 -3.6089 -3.6089 -3.5906 -3.5906 -3.3017 -3.3017 -2.6019 -2.6019 -2.3782 -2.3782 -2.3081 -2.3081 -0.8447 -0.8447 -0.8364 -0.8364 -0.6263 -0.6263 -0.4564 -0.4564 -0.3483 -0.3483 -0.3463 -0.3463 -0.3058 -0.3058 -0.2968 -0.2968 -0.1600 -0.1600 0.2558 0.2558 0.3145 0.3145 0.3431 0.3431 0.7904 0.7904 0.8916 0.8916 0.9172 0.9172 0.9556 0.9556 1.0129 1.0129 1.0660 1.0660 2.7372 2.7372 2.7414 2.7414 k = 0.1786 0.1031 0.0729 ( 8462 PWs) bands (ev): -13.8491 -13.8491 -13.0945 -13.0945 -13.0603 -13.0603 -13.0582 -13.0582 -13.0033 -13.0033 -12.9791 -12.9791 -11.0048 -11.0048 -10.9813 -10.9813 -4.5299 -4.5299 -4.5191 -4.5191 -4.4938 -4.4938 -3.6085 -3.6085 -3.5865 -3.5865 -3.2948 -3.2948 -2.6001 -2.6001 -2.3633 -2.3633 -2.2839 -2.2839 -0.8575 -0.8575 -0.8503 -0.8503 -0.6536 -0.6536 -0.4533 -0.4533 -0.3423 -0.3423 -0.3387 -0.3387 -0.3027 -0.3027 -0.2907 -0.2907 -0.1417 -0.1417 0.2409 0.2409 0.2965 0.2965 0.3320 0.3320 0.7675 0.7675 0.8891 0.8891 0.9153 0.9153 0.9374 0.9374 1.0092 1.0092 1.0608 1.0608 2.7225 2.7225 2.7276 2.7276 k = 0.1964 0.1134 0.0802 ( 8447 PWs) bands (ev): -13.8427 -13.8427 -13.0995 -13.0995 -13.0636 -13.0636 -13.0629 -13.0629 -13.0019 -13.0019 -12.9758 -12.9758 -11.0051 -11.0051 -10.9822 -10.9822 -4.5361 -4.5361 -4.5239 -4.5239 -4.4736 -4.4736 -3.6078 -3.6078 -3.5820 -3.5820 -3.2874 -3.2874 -2.6003 -2.6003 -2.3459 -2.3459 -2.2582 -2.2582 -0.8705 -0.8705 -0.8650 -0.8650 -0.6806 -0.6806 -0.4501 -0.4501 -0.3386 -0.3386 -0.3305 -0.3305 -0.2974 -0.2974 -0.2836 -0.2836 -0.1245 -0.1245 0.2251 0.2251 0.2773 0.2773 0.3202 0.3202 0.7434 0.7434 0.8865 0.8865 0.9133 0.9133 0.9176 0.9176 1.0054 1.0054 1.0554 1.0554 2.7071 2.7071 2.7133 2.7133 k = 0.2143 0.1237 0.0875 ( 8432 PWs) bands (ev): -13.8358 -13.8358 -13.1053 -13.1053 -13.0673 -13.0673 -13.0668 -13.0668 -13.0004 -13.0004 -12.9725 -12.9725 -11.0054 -11.0054 -10.9832 -10.9832 -4.5426 -4.5426 -4.5289 -4.5289 -4.4521 -4.4521 -3.6069 -3.6069 -3.5771 -3.5771 -3.2796 -3.2796 -2.6027 -2.6027 -2.3262 -2.3262 -2.2313 -2.2313 -0.8833 -0.8833 -0.8804 -0.8804 -0.7069 -0.7069 -0.4469 -0.4469 -0.3374 -0.3374 -0.3216 -0.3216 -0.2899 -0.2899 -0.2758 -0.2758 -0.1086 -0.1086 0.2090 0.2090 0.2569 0.2569 0.3077 0.3077 0.7182 0.7182 0.8828 0.8828 0.8973 0.8973 0.9111 0.9111 1.0014 1.0014 1.0500 1.0500 2.6914 2.6914 2.6988 2.6988 k = 0.2321 0.1340 0.0948 ( 8432 PWs) bands (ev): -13.8287 -13.8287 -13.1120 -13.1120 -13.0712 -13.0712 -13.0699 -13.0699 -12.9988 -12.9988 -12.9695 -12.9695 -11.0057 -11.0057 -10.9843 -10.9843 -4.5492 -4.5492 -4.5340 -4.5340 -4.4296 -4.4296 -3.6058 -3.6058 -3.5719 -3.5719 -3.2715 -3.2715 -2.6070 -2.6070 -2.3045 -2.3045 -2.2037 -2.2037 -0.8960 -0.8960 -0.8959 -0.8959 -0.7326 -0.7326 -0.4439 -0.4439 -0.3382 -0.3382 -0.3122 -0.3122 -0.2808 -0.2808 -0.2671 -0.2671 -0.0941 -0.0941 0.1929 0.1929 0.2356 0.2356 0.2947 0.2947 0.6926 0.6926 0.8698 0.8698 0.8849 0.8849 0.9087 0.9087 0.9974 0.9974 1.0444 1.0444 2.6755 2.6755 2.6841 2.6841 k = 0.2500 0.1443 0.1021 ( 8432 PWs) bands (ev): -13.8212 -13.8212 -13.1195 -13.1195 -13.0747 -13.0747 -13.0728 -13.0728 -12.9973 -12.9973 -12.9665 -12.9665 -11.0060 -11.0060 -10.9854 -10.9854 -4.5559 -4.5559 -4.5392 -4.5392 -4.4064 -4.4064 -3.6045 -3.6045 -3.5664 -3.5664 -3.2630 -3.2630 -2.6132 -2.6132 -2.2813 -2.2813 -2.1755 -2.1755 -0.9118 -0.9118 -0.9079 -0.9079 -0.7574 -0.7574 -0.4411 -0.4411 -0.3405 -0.3405 -0.3023 -0.3023 -0.2707 -0.2707 -0.2579 -0.2579 -0.0812 -0.0812 0.1775 0.1775 0.2136 0.2136 0.2813 0.2813 0.6668 0.6668 0.8468 0.8468 0.8812 0.8812 0.9063 0.9063 0.9934 0.9934 1.0389 1.0389 2.6596 2.6596 2.6695 2.6695 k = 0.2679 0.1546 0.1094 ( 8444 PWs) bands (ev): -13.8136 -13.8136 -13.1275 -13.1275 -13.0777 -13.0777 -13.0756 -13.0756 -12.9959 -12.9959 -12.9637 -12.9637 -11.0062 -11.0062 -10.9865 -10.9865 -4.5626 -4.5626 -4.5444 -4.5444 -4.3827 -4.3827 -3.6029 -3.6029 -3.5607 -3.5607 -3.2544 -3.2544 -2.6210 -2.6210 -2.2570 -2.2570 -2.1471 -2.1471 -0.9273 -0.9273 -0.9192 -0.9192 -0.7812 -0.7812 -0.4389 -0.4389 -0.3441 -0.3441 -0.2920 -0.2920 -0.2600 -0.2600 -0.2482 -0.2482 -0.0703 -0.0703 0.1633 0.1633 0.1912 0.1912 0.2675 0.2675 0.6413 0.6413 0.8217 0.8217 0.8786 0.8786 0.9037 0.9037 0.9895 0.9895 1.0333 1.0333 2.6439 2.6439 2.6552 2.6552 k = 0.2857 0.1650 0.1166 ( 8429 PWs) bands (ev): -13.8059 -13.8059 -13.1359 -13.1359 -13.0804 -13.0804 -13.0782 -13.0782 -12.9945 -12.9945 -12.9611 -12.9611 -11.0064 -11.0064 -10.9877 -10.9877 -4.5691 -4.5691 -4.5495 -4.5495 -4.3588 -4.3588 -3.6012 -3.6012 -3.5547 -3.5547 -3.2458 -3.2458 -2.6303 -2.6303 -2.2321 -2.2321 -2.1189 -2.1189 -0.9423 -0.9423 -0.9297 -0.9297 -0.8037 -0.8037 -0.4371 -0.4371 -0.3486 -0.3486 -0.2814 -0.2814 -0.2492 -0.2492 -0.2382 -0.2382 -0.0616 -0.0616 0.1510 0.1510 0.1687 0.1687 0.2535 0.2535 0.6165 0.6165 0.7956 0.7956 0.8762 0.8762 0.9011 0.9011 0.9856 0.9856 1.0279 1.0279 2.6287 2.6287 2.6414 2.6414 k = 0.3036 0.1753 0.1239 ( 8441 PWs) bands (ev): -13.7981 -13.7981 -13.1445 -13.1445 -13.0828 -13.0828 -13.0806 -13.0806 -12.9932 -12.9932 -12.9587 -12.9587 -11.0065 -11.0065 -10.9889 -10.9889 -4.5753 -4.5753 -4.5545 -4.5545 -4.3350 -4.3350 -3.5994 -3.5994 -3.5487 -3.5487 -3.2371 -3.2371 -2.6408 -2.6408 -2.2071 -2.2071 -2.0912 -2.0912 -0.9567 -0.9567 -0.9392 -0.9392 -0.8248 -0.8248 -0.4361 -0.4361 -0.3541 -0.3541 -0.2706 -0.2706 -0.2383 -0.2383 -0.2282 -0.2282 -0.0553 -0.0553 0.1413 0.1413 0.1463 0.1463 0.2394 0.2394 0.5928 0.5928 0.7688 0.7688 0.8739 0.8739 0.8985 0.8985 0.9818 0.9818 1.0225 1.0225 2.6140 2.6140 2.6281 2.6281 k = 0.3214 0.1856 0.1312 ( 8441 PWs) bands (ev): -13.7904 -13.7904 -13.1532 -13.1532 -13.0848 -13.0848 -13.0829 -13.0829 -12.9919 -12.9919 -12.9564 -12.9564 -11.0065 -11.0065 -10.9901 -10.9901 -4.5813 -4.5813 -4.5592 -4.5592 -4.3117 -4.3117 -3.5975 -3.5975 -3.5426 -3.5426 -3.2286 -3.2286 -2.6523 -2.6523 -2.1824 -2.1824 -2.0644 -2.0644 -0.9702 -0.9702 -0.9476 -0.9476 -0.8444 -0.8444 -0.4359 -0.4359 -0.3604 -0.3604 -0.2600 -0.2600 -0.2275 -0.2275 -0.2185 -0.2185 -0.0514 -0.0514 0.1244 0.1244 0.1344 0.1344 0.2255 0.2255 0.5705 0.5705 0.7415 0.7415 0.8717 0.8717 0.8960 0.8960 0.9782 0.9782 1.0172 1.0172 2.6001 2.6001 2.6156 2.6156 k = 0.3393 0.1959 0.1385 ( 8429 PWs) bands (ev): -13.7830 -13.7830 -13.1618 -13.1618 -13.0866 -13.0866 -13.0850 -13.0850 -12.9907 -12.9907 -12.9543 -12.9543 -11.0065 -11.0065 -10.9913 -10.9913 -4.5869 -4.5869 -4.5637 -4.5637 -4.2891 -4.2891 -3.5956 -3.5956 -3.5366 -3.5366 -3.2203 -3.2203 -2.6643 -2.6643 -2.1585 -2.1585 -2.0388 -2.0388 -0.9826 -0.9826 -0.9548 -0.9548 -0.8623 -0.8623 -0.4365 -0.4365 -0.3673 -0.3673 -0.2497 -0.2497 -0.2169 -0.2169 -0.2091 -0.2091 -0.0496 -0.0496 0.1033 0.1033 0.1305 0.1305 0.2120 0.2120 0.5501 0.5501 0.7141 0.7141 0.8696 0.8696 0.8936 0.8936 0.9748 0.9748 1.0122 1.0122 2.5871 2.5871 2.6040 2.6040 k = 0.3571 0.2062 0.1458 ( 8459 PWs) bands (ev): -13.7758 -13.7758 -13.1700 -13.1700 -13.0882 -13.0882 -13.0868 -13.0868 -12.9897 -12.9897 -12.9525 -12.9525 -11.0064 -11.0064 -10.9925 -10.9925 -4.5921 -4.5921 -4.5679 -4.5679 -4.2677 -4.2677 -3.5937 -3.5937 -3.5307 -3.5307 -3.2124 -3.2124 -2.6767 -2.6767 -2.1358 -2.1358 -2.0147 -2.0147 -0.9938 -0.9938 -0.9608 -0.9608 -0.8784 -0.8784 -0.4379 -0.4379 -0.3748 -0.3748 -0.2402 -0.2402 -0.2066 -0.2066 -0.2002 -0.2002 -0.0492 -0.0492 0.0831 0.0831 0.1291 0.1291 0.1993 0.1993 0.5320 0.5320 0.6867 0.6867 0.8677 0.8677 0.8913 0.8913 0.9715 0.9715 1.0074 1.0074 2.5752 2.5752 2.5933 2.5933 k = 0.3750 0.2165 0.1531 ( 8471 PWs) bands (ev): -13.7691 -13.7691 -13.1778 -13.1778 -13.0896 -13.0896 -13.0885 -13.0885 -12.9887 -12.9887 -12.9508 -12.9508 -11.0063 -11.0063 -10.9937 -10.9937 -4.5968 -4.5968 -4.5717 -4.5717 -4.2478 -4.2478 -3.5918 -3.5918 -3.5250 -3.5250 -3.2049 -3.2049 -2.6890 -2.6890 -2.1147 -2.1147 -1.9927 -1.9927 -1.0036 -1.0036 -0.9656 -0.9656 -0.8927 -0.8927 -0.4400 -0.4400 -0.3826 -0.3826 -0.2318 -0.2318 -0.1967 -0.1967 -0.1918 -0.1918 -0.0496 -0.0496 0.0643 0.0643 0.1292 0.1292 0.1878 0.1878 0.5166 0.5166 0.6597 0.6597 0.8660 0.8660 0.8892 0.8892 0.9685 0.9685 1.0030 1.0030 2.5644 2.5644 2.5838 2.5838 k = 0.3929 0.2268 0.1604 ( 8474 PWs) bands (ev): -13.7629 -13.7629 -13.1850 -13.1850 -13.0908 -13.0908 -13.0899 -13.0899 -12.9879 -12.9879 -12.9494 -12.9494 -11.0060 -11.0060 -10.9948 -10.9948 -4.6010 -4.6010 -4.5751 -4.5751 -4.2296 -4.2296 -3.5901 -3.5901 -3.5198 -3.5198 -3.1981 -3.1981 -2.7009 -2.7009 -2.0955 -2.0955 -1.9728 -1.9728 -1.0121 -1.0121 -0.9693 -0.9693 -0.9052 -0.9052 -0.4428 -0.4428 -0.3905 -0.3905 -0.2251 -0.2251 -0.1873 -0.1873 -0.1837 -0.1837 -0.0502 -0.0502 0.0470 0.0470 0.1296 0.1296 0.1784 0.1784 0.5043 0.5043 0.6334 0.6334 0.8645 0.8645 0.8873 0.8873 0.9658 0.9658 0.9989 0.9989 2.5548 2.5548 2.5753 2.5753 k = 0.4107 0.2371 0.1677 ( 8465 PWs) bands (ev): -13.7574 -13.7574 -13.1913 -13.1913 -13.0918 -13.0918 -13.0912 -13.0912 -12.9872 -12.9872 -12.9481 -12.9481 -11.0057 -11.0057 -10.9959 -10.9959 -4.6046 -4.6046 -4.5780 -4.5780 -4.2136 -4.2136 -3.5886 -3.5886 -3.5150 -3.5150 -3.1920 -3.1920 -2.7120 -2.7120 -2.0786 -2.0786 -1.9555 -1.9555 -1.0192 -1.0192 -0.9719 -0.9719 -0.9157 -0.9157 -0.4459 -0.4459 -0.3981 -0.3981 -0.2201 -0.2201 -0.1787 -0.1787 -0.1758 -0.1758 -0.0505 -0.0505 0.0316 0.0316 0.1288 0.1288 0.1721 0.1721 0.4954 0.4954 0.6081 0.6081 0.8632 0.8632 0.8857 0.8857 0.9635 0.9635 0.9954 0.9954 2.5466 2.5466 2.5681 2.5681 k = 0.4286 0.2474 0.1750 ( 8466 PWs) bands (ev): -13.7527 -13.7527 -13.1968 -13.1968 -13.0926 -13.0926 -13.0922 -13.0922 -12.9866 -12.9866 -12.9471 -12.9471 -11.0054 -11.0054 -10.9969 -10.9969 -4.6076 -4.6076 -4.5805 -4.5805 -4.2001 -4.2001 -3.5873 -3.5873 -3.5108 -3.5108 -3.1867 -3.1867 -2.7217 -2.7217 -2.0644 -2.0644 -1.9410 -1.9410 -1.0249 -1.0249 -0.9738 -0.9738 -0.9242 -0.9242 -0.4491 -0.4491 -0.4050 -0.4050 -0.2167 -0.2167 -0.1709 -0.1709 -0.1685 -0.1685 -0.0504 -0.0504 0.0182 0.0182 0.1261 0.1261 0.1693 0.1693 0.4903 0.4903 0.5841 0.5841 0.8621 0.8621 0.8843 0.8843 0.9615 0.9615 0.9923 0.9923 2.5398 2.5398 2.5621 2.5621 k = 0.4464 0.2577 0.1823 ( 8472 PWs) bands (ev): -13.7489 -13.7489 -13.2012 -13.2012 -13.0932 -13.0932 -13.0930 -13.0930 -12.9861 -12.9861 -12.9463 -12.9463 -11.0050 -11.0050 -10.9978 -10.9978 -4.6099 -4.6099 -4.5824 -4.5824 -4.1892 -4.1892 -3.5862 -3.5862 -3.5074 -3.5074 -3.1825 -3.1825 -2.7298 -2.7298 -2.0530 -2.0530 -1.9294 -1.9294 -1.0293 -1.0293 -0.9749 -0.9749 -0.9309 -0.9309 -0.4520 -0.4520 -0.4110 -0.4110 -0.2147 -0.2147 -0.1643 -0.1643 -0.1620 -0.1620 -0.0502 -0.0502 0.0073 0.0073 0.1220 0.1220 0.1692 0.1692 0.4892 0.4892 0.5619 0.5619 0.8613 0.8613 0.8833 0.8833 0.9599 0.9599 0.9899 0.9899 2.5344 2.5344 2.5574 2.5574 k = 0.4643 0.2681 0.1895 ( 8469 PWs) bands (ev): -13.7462 -13.7462 -13.2044 -13.2044 -13.0936 -13.0936 -13.0936 -13.0936 -12.9858 -12.9858 -12.9457 -12.9457 -11.0046 -11.0046 -10.9985 -10.9985 -4.6116 -4.6116 -4.5838 -4.5838 -4.1813 -4.1813 -3.5854 -3.5854 -3.5048 -3.5048 -3.1793 -3.1793 -2.7359 -2.7359 -2.0448 -2.0448 -1.9211 -1.9211 -1.0323 -1.0323 -0.9755 -0.9755 -0.9356 -0.9356 -0.4544 -0.4544 -0.4155 -0.4155 -0.2136 -0.2136 -0.1592 -0.1592 -0.1569 -0.1569 -0.0499 -0.0499 -0.0010 -0.0010 0.1180 0.1180 0.1702 0.1702 0.4921 0.4921 0.5420 0.5420 0.8607 0.8607 0.8825 0.8825 0.9587 0.9587 0.9881 0.9881 2.5306 2.5306 2.5540 2.5540 k = 0.4821 0.2784 0.1968 ( 8457 PWs) bands (ev): -13.7445 -13.7445 -13.2063 -13.2063 -13.0939 -13.0939 -13.0939 -13.0939 -12.9856 -12.9856 -12.9454 -12.9454 -11.0044 -11.0044 -10.9990 -10.9990 -4.6127 -4.6127 -4.5846 -4.5846 -4.1765 -4.1765 -3.5849 -3.5849 -3.5033 -3.5033 -3.1774 -3.1774 -2.7396 -2.7396 -2.0398 -2.0398 -1.9160 -1.9160 -1.0341 -1.0341 -0.9758 -0.9758 -0.9384 -0.9384 -0.4559 -0.4559 -0.4184 -0.4184 -0.2131 -0.2131 -0.1559 -0.1559 -0.1536 -0.1536 -0.0496 -0.0496 -0.0061 -0.0061 0.1152 0.1152 0.1712 0.1712 0.4989 0.4989 0.5248 0.5248 0.8603 0.8603 0.8820 0.8820 0.9580 0.9580 0.9870 0.9870 2.5283 2.5283 2.5520 2.5520 k = 0.5000 0.2887 0.2041 ( 8424 PWs) bands (ev): -13.7439 -13.7439 -13.2070 -13.2070 -13.0940 -13.0940 -13.0940 -13.0940 -12.9855 -12.9855 -12.9453 -12.9453 -11.0043 -11.0043 -10.9992 -10.9992 -4.6130 -4.6130 -4.5849 -4.5849 -4.1749 -4.1749 -3.5847 -3.5847 -3.5028 -3.5028 -3.1768 -3.1768 -2.7409 -2.7409 -2.0381 -2.0381 -1.9143 -1.9143 -1.0347 -1.0347 -0.9759 -0.9759 -0.9394 -0.9394 -0.4565 -0.4565 -0.4193 -0.4193 -0.2130 -0.2130 -0.1548 -0.1548 -0.1525 -0.1525 -0.0495 -0.0495 -0.0078 -0.0078 0.1143 0.1143 0.1716 0.1716 0.5068 0.5068 0.5134 0.5134 0.8602 0.8602 0.8819 0.8819 0.9578 0.9578 0.9867 0.9867 2.5275 2.5275 2.5513 2.5513 k = 0.5000 0.2887 0.2041 ( 8424 PWs) bands (ev): -13.7439 -13.7439 -13.2070 -13.2070 -13.0940 -13.0940 -13.0940 -13.0940 -12.9855 -12.9855 -12.9453 -12.9453 -11.0043 -11.0043 -10.9992 -10.9992 -4.6130 -4.6130 -4.5849 -4.5849 -4.1749 -4.1749 -3.5847 -3.5847 -3.5028 -3.5028 -3.1768 -3.1768 -2.7409 -2.7409 -2.0381 -2.0381 -1.9143 -1.9143 -1.0347 -1.0347 -0.9759 -0.9759 -0.9394 -0.9394 -0.4565 -0.4565 -0.4193 -0.4193 -0.2130 -0.2130 -0.1548 -0.1548 -0.1525 -0.1525 -0.0495 -0.0495 -0.0078 -0.0078 0.1143 0.1143 0.1716 0.1716 0.5068 0.5068 0.5134 0.5134 0.8602 0.8602 0.8819 0.8819 0.9578 0.9578 0.9867 0.9867 2.5275 2.5275 2.5513 2.5513 k = 0.5062 0.2706 0.2143 ( 8455 PWs) bands (ev): -13.7437 -13.7437 -13.2071 -13.2071 -13.0940 -13.0940 -13.0938 -13.0938 -12.9857 -12.9857 -12.9455 -12.9455 -11.0043 -11.0043 -10.9993 -10.9993 -4.6132 -4.6132 -4.5852 -4.5852 -4.1742 -4.1742 -3.5846 -3.5846 -3.5030 -3.5030 -3.1767 -3.1767 -2.7389 -2.7389 -2.0381 -2.0381 -1.9143 -1.9143 -1.0344 -1.0344 -0.9758 -0.9758 -0.9389 -0.9389 -0.4582 -0.4582 -0.4212 -0.4212 -0.2137 -0.2137 -0.1585 -0.1585 -0.1516 -0.1516 -0.0460 -0.0460 -0.0083 -0.0083 0.1143 0.1143 0.1722 0.1722 0.5079 0.5079 0.5137 0.5137 0.8597 0.8597 0.8814 0.8814 0.9571 0.9571 0.9861 0.9861 2.5267 2.5267 2.5506 2.5506 k = 0.5125 0.2526 0.2245 ( 8457 PWs) bands (ev): -13.7431 -13.7431 -13.2074 -13.2074 -13.0939 -13.0939 -13.0934 -13.0934 -12.9861 -12.9861 -12.9460 -12.9460 -11.0043 -11.0043 -10.9993 -10.9993 -4.6138 -4.6138 -4.5860 -4.5860 -4.1720 -4.1720 -3.5843 -3.5843 -3.5036 -3.5036 -3.1764 -3.1764 -2.7331 -2.7331 -2.0383 -2.0383 -1.9143 -1.9143 -1.0335 -1.0335 -0.9755 -0.9755 -0.9375 -0.9375 -0.4637 -0.4637 -0.4259 -0.4259 -0.2174 -0.2174 -0.1675 -0.1675 -0.1477 -0.1477 -0.0379 -0.0379 -0.0095 -0.0095 0.1144 0.1144 0.1743 0.1743 0.5108 0.5108 0.5150 0.5150 0.8583 0.8583 0.8801 0.8801 0.9550 0.9550 0.9843 0.9843 2.5239 2.5239 2.5491 2.5491 k = 0.5188 0.2345 0.2347 ( 8472 PWs) bands (ev): -13.7422 -13.7422 -13.2079 -13.2079 -13.0938 -13.0938 -13.0926 -13.0926 -12.9868 -12.9868 -12.9470 -12.9470 -11.0043 -11.0043 -10.9995 -10.9995 -4.6152 -4.6152 -4.5870 -4.5870 -4.1685 -4.1685 -3.5837 -3.5837 -3.5046 -3.5046 -3.1759 -3.1759 -2.7234 -2.7234 -2.0387 -2.0387 -1.9142 -1.9142 -1.0319 -1.0319 -0.9749 -0.9749 -0.9353 -0.9353 -0.4740 -0.4740 -0.4322 -0.4322 -0.2273 -0.2273 -0.1753 -0.1753 -0.1408 -0.1408 -0.0306 -0.0306 -0.0098 -0.0098 0.1142 0.1142 0.1783 0.1783 0.5149 0.5149 0.5179 0.5179 0.8556 0.8556 0.8782 0.8782 0.9514 0.9514 0.9815 0.9815 2.5176 2.5176 2.5481 2.5481 k = 0.5250 0.2165 0.2449 ( 8464 PWs) bands (ev): -13.7409 -13.7409 -13.2085 -13.2085 -13.0936 -13.0936 -13.0916 -13.0916 -12.9879 -12.9879 -12.9482 -12.9482 -11.0043 -11.0043 -10.9997 -10.9997 -4.6175 -4.6175 -4.5880 -4.5880 -4.1637 -4.1637 -3.5829 -3.5829 -3.5059 -3.5059 -3.1752 -3.1752 -2.7102 -2.7102 -2.0393 -2.0393 -1.9142 -1.9142 -1.0297 -1.0297 -0.9741 -0.9741 -0.9320 -0.9320 -0.4891 -0.4891 -0.4395 -0.4395 -0.2434 -0.2434 -0.1794 -0.1794 -0.1311 -0.1311 -0.0299 -0.0299 -0.0060 -0.0060 0.1134 0.1134 0.1848 0.1848 0.5184 0.5184 0.5238 0.5238 0.8516 0.8516 0.8760 0.8760 0.9461 0.9461 0.9779 0.9779 2.5071 2.5071 2.5488 2.5488 k = 0.5312 0.1985 0.2552 ( 8457 PWs) bands (ev): -13.7393 -13.7393 -13.2093 -13.2093 -13.0934 -13.0934 -13.0902 -13.0902 -12.9892 -12.9892 -12.9498 -12.9498 -11.0044 -11.0044 -10.9999 -10.9999 -4.6211 -4.6211 -4.5884 -4.5884 -4.1575 -4.1575 -3.5818 -3.5818 -3.5075 -3.5075 -3.1743 -3.1743 -2.6936 -2.6936 -2.0401 -2.0401 -1.9143 -1.9143 -1.0269 -1.0269 -0.9728 -0.9728 -0.9277 -0.9277 -0.5082 -0.5082 -0.4485 -0.4485 -0.2619 -0.2619 -0.1816 -0.1816 -0.1194 -0.1194 -0.0356 -0.0356 0.0006 0.0006 0.1119 0.1119 0.1937 0.1937 0.5222 0.5222 0.5319 0.5319 0.8461 0.8461 0.8736 0.8736 0.9389 0.9389 0.9738 0.9738 2.4926 2.4926 2.5509 2.5509 k = 0.5375 0.1804 0.2654 ( 8455 PWs) bands (ev): -13.7374 -13.7374 -13.2102 -13.2102 -13.0931 -13.0931 -13.0887 -13.0887 -12.9909 -12.9909 -12.9515 -12.9515 -11.0044 -11.0044 -11.0002 -11.0002 -4.6261 -4.6261 -4.5882 -4.5882 -4.1501 -4.1501 -3.5805 -3.5805 -3.5093 -3.5093 -3.1732 -3.1732 -2.6741 -2.6741 -2.0413 -2.0413 -1.9144 -1.9144 -1.0235 -1.0235 -0.9711 -0.9711 -0.9224 -0.9224 -0.5301 -0.5301 -0.4606 -0.4606 -0.2794 -0.2794 -0.1830 -0.1830 -0.1067 -0.1067 -0.0445 -0.0445 0.0066 0.0066 0.1101 0.1101 0.2046 0.2046 0.5268 0.5268 0.5412 0.5412 0.8392 0.8392 0.8713 0.8713 0.9298 0.9298 0.9693 0.9693 2.4747 2.4747 2.5543 2.5543 k = 0.5437 0.1624 0.2756 ( 8457 PWs) bands (ev): -13.7351 -13.7351 -13.2113 -13.2113 -13.0928 -13.0928 -13.0870 -13.0870 -12.9929 -12.9929 -12.9535 -12.9535 -11.0045 -11.0045 -11.0005 -11.0005 -4.6325 -4.6325 -4.5872 -4.5872 -4.1416 -4.1416 -3.5789 -3.5789 -3.5113 -3.5113 -3.1719 -3.1719 -2.6519 -2.6519 -2.0428 -2.0428 -1.9148 -1.9148 -1.0194 -1.0194 -0.9688 -0.9688 -0.9159 -0.9159 -0.5540 -0.5540 -0.4770 -0.4770 -0.2938 -0.2938 -0.1844 -0.1844 -0.0949 -0.0949 -0.0546 -0.0546 0.0108 0.0108 0.1086 0.1086 0.2168 0.2168 0.5324 0.5324 0.5513 0.5513 0.8308 0.8308 0.8691 0.8691 0.9189 0.9189 0.9645 0.9645 2.4540 2.4540 2.5586 2.5586 k = 0.5500 0.1443 0.2858 ( 8441 PWs) bands (ev): -13.7327 -13.7327 -13.2124 -13.2124 -13.0924 -13.0924 -13.0851 -13.0851 -12.9952 -12.9952 -12.9555 -12.9555 -11.0045 -11.0045 -11.0008 -11.0008 -4.6401 -4.6401 -4.5856 -4.5856 -4.1320 -4.1320 -3.5770 -3.5770 -3.5133 -3.5133 -3.1704 -3.1704 -2.6276 -2.6276 -2.0448 -2.0448 -1.9154 -1.9154 -1.0147 -1.0147 -0.9657 -0.9657 -0.9084 -0.9084 -0.5791 -0.5791 -0.4980 -0.4980 -0.3040 -0.3040 -0.1858 -0.1858 -0.0885 -0.0885 -0.0611 -0.0611 0.0129 0.0129 0.1081 0.1081 0.2295 0.2295 0.5391 0.5391 0.5619 0.5619 0.8213 0.8213 0.8669 0.8669 0.9062 0.9062 0.9595 0.9595 2.4309 2.4309 2.5637 2.5637 k = 0.5563 0.1263 0.2960 ( 8444 PWs) bands (ev): -13.7300 -13.7300 -13.2135 -13.2135 -13.0920 -13.0920 -13.0830 -13.0830 -12.9979 -12.9979 -12.9576 -12.9576 -11.0046 -11.0046 -11.0011 -11.0011 -4.6486 -4.6486 -4.5834 -4.5834 -4.1216 -4.1216 -3.5749 -3.5749 -3.5155 -3.5155 -3.1688 -3.1688 -2.6015 -2.6015 -2.0472 -2.0472 -1.9164 -1.9164 -1.0093 -1.0093 -0.9617 -0.9617 -0.8997 -0.8997 -0.6049 -0.6049 -0.5233 -0.5233 -0.3105 -0.3105 -0.1873 -0.1873 -0.0948 -0.0948 -0.0574 -0.0574 0.0129 0.0129 0.1092 0.1092 0.2421 0.2421 0.5470 0.5470 0.5728 0.5728 0.8107 0.8107 0.8645 0.8645 0.8924 0.8924 0.9541 0.9541 2.4059 2.4059 2.5696 2.5696 k = 0.5625 0.1083 0.3062 ( 8442 PWs) bands (ev): -13.7272 -13.7272 -13.2147 -13.2147 -13.0915 -13.0915 -13.0809 -13.0809 -13.0008 -13.0008 -12.9597 -12.9597 -11.0048 -11.0048 -11.0014 -11.0014 -4.6577 -4.6577 -4.5808 -4.5808 -4.1104 -4.1104 -3.5725 -3.5725 -3.5176 -3.5176 -3.1670 -3.1670 -2.5742 -2.5742 -2.0500 -2.0500 -1.9177 -1.9177 -1.0034 -1.0034 -0.9568 -0.9568 -0.8898 -0.8898 -0.6309 -0.6309 -0.5517 -0.5517 -0.3141 -0.3141 -0.1888 -0.1888 -0.1080 -0.1080 -0.0497 -0.0497 0.0117 0.0117 0.1123 0.1123 0.2539 0.2539 0.5560 0.5560 0.5836 0.5836 0.7996 0.7996 0.8610 0.8610 0.8785 0.8785 0.9485 0.9485 2.3793 2.3793 2.5762 2.5762 k = 0.5687 0.0902 0.3164 ( 8438 PWs) bands (ev): -13.7243 -13.7243 -13.2158 -13.2158 -13.0911 -13.0911 -13.0788 -13.0788 -13.0039 -13.0039 -12.9618 -12.9618 -11.0050 -11.0050 -11.0017 -11.0017 -4.6674 -4.6674 -4.5778 -4.5778 -4.0987 -4.0987 -3.5699 -3.5699 -3.5198 -3.5198 -3.1651 -3.1651 -2.5462 -2.5462 -2.0532 -2.0532 -1.9196 -1.9196 -0.9969 -0.9969 -0.9509 -0.9509 -0.8788 -0.8788 -0.6568 -0.6568 -0.5821 -0.5821 -0.3159 -0.3159 -0.1905 -0.1905 -0.1228 -0.1228 -0.0446 -0.0446 0.0110 0.0110 0.1175 0.1175 0.2648 0.2648 0.5661 0.5661 0.5941 0.5941 0.7880 0.7880 0.8523 0.8523 0.8688 0.8688 0.9426 0.9426 2.3517 2.3517 2.5834 2.5834 k = 0.5750 0.0722 0.3266 ( 8442 PWs) bands (ev): -13.7214 -13.7214 -13.2169 -13.2169 -13.0906 -13.0906 -13.0767 -13.0767 -13.0072 -13.0072 -12.9639 -12.9639 -11.0053 -11.0053 -11.0018 -11.0018 -4.6773 -4.6773 -4.5745 -4.5745 -4.0867 -4.0867 -3.5671 -3.5671 -3.5219 -3.5219 -3.1630 -3.1630 -2.5181 -2.5181 -2.0565 -2.0565 -1.9219 -1.9219 -0.9899 -0.9899 -0.9439 -0.9439 -0.8667 -0.8667 -0.6822 -0.6822 -0.6134 -0.6134 -0.3171 -0.3171 -0.1924 -0.1924 -0.1373 -0.1373 -0.0449 -0.0449 0.0129 0.0129 0.1244 0.1244 0.2746 0.2746 0.5770 0.5770 0.6039 0.6039 0.7763 0.7763 0.8370 0.8370 0.8651 0.8651 0.9365 0.9365 2.3234 2.3234 2.5912 2.5912 k = 0.5813 0.0541 0.3368 ( 8448 PWs) bands (ev): -13.7185 -13.7185 -13.2179 -13.2179 -13.0901 -13.0901 -13.0746 -13.0746 -13.0105 -13.0105 -12.9659 -12.9659 -11.0056 -11.0056 -11.0020 -11.0020 -4.6874 -4.6874 -4.5710 -4.5710 -4.0746 -4.0746 -3.5641 -3.5641 -3.5239 -3.5239 -3.1609 -3.1609 -2.4905 -2.4905 -2.0599 -2.0599 -1.9249 -1.9249 -0.9826 -0.9826 -0.9359 -0.9359 -0.8536 -0.8536 -0.7066 -0.7066 -0.6449 -0.6449 -0.3186 -0.3186 -0.1946 -0.1946 -0.1504 -0.1504 -0.0509 -0.0509 0.0179 0.0179 0.1328 0.1328 0.2832 0.2832 0.5885 0.5885 0.6127 0.6127 0.7651 0.7651 0.8195 0.8195 0.8635 0.8635 0.9302 0.9302 2.2949 2.2949 2.5995 2.5995 k = 0.5875 0.0361 0.3470 ( 8454 PWs) bands (ev): -13.7157 -13.7157 -13.2188 -13.2188 -13.0896 -13.0896 -13.0726 -13.0726 -13.0138 -13.0138 -12.9679 -12.9679 -11.0060 -11.0060 -11.0020 -11.0020 -4.6974 -4.6974 -4.5672 -4.5672 -4.0627 -4.0627 -3.5610 -3.5610 -3.5259 -3.5259 -3.1587 -3.1587 -2.4641 -2.4641 -2.0631 -2.0631 -1.9285 -1.9285 -0.9751 -0.9751 -0.9271 -0.9271 -0.8399 -0.8399 -0.7293 -0.7293 -0.6757 -0.6757 -0.3214 -0.3214 -0.1972 -0.1972 -0.1614 -0.1614 -0.0611 -0.0611 0.0245 0.0245 0.1425 0.1425 0.2907 0.2907 0.6001 0.6001 0.6202 0.6202 0.7546 0.7546 0.8016 0.8016 0.8626 0.8626 0.9237 0.9237 2.2666 2.2666 2.6083 2.6083 k = 0.5938 0.0180 0.3572 ( 8448 PWs) bands (ev): -13.7130 -13.7130 -13.2195 -13.2195 -13.0892 -13.0892 -13.0708 -13.0708 -13.0168 -13.0168 -12.9698 -12.9698 -11.0065 -11.0065 -11.0019 -11.0019 -4.7071 -4.7071 -4.5633 -4.5633 -4.0513 -4.0513 -3.5577 -3.5577 -3.5278 -3.5278 -3.1566 -3.1566 -2.4396 -2.4396 -2.0657 -2.0657 -1.9326 -1.9326 -0.9679 -0.9679 -0.9176 -0.9176 -0.8264 -0.8264 -0.7496 -0.7496 -0.7045 -0.7045 -0.3260 -0.3260 -0.2002 -0.2002 -0.1697 -0.1697 -0.0738 -0.0738 0.0314 0.0314 0.1532 0.1532 0.2971 0.2971 0.6111 0.6111 0.6258 0.6258 0.7456 0.7456 0.7844 0.7844 0.8622 0.8622 0.9172 0.9172 2.2389 2.2389 2.6176 2.6176 k = 0.6000 0.0000 0.3674 ( 8448 PWs) bands (ev): -13.7106 -13.7106 -13.2200 -13.2200 -13.0888 -13.0888 -13.0692 -13.0692 -13.0196 -13.0196 -12.9717 -12.9717 -11.0070 -11.0070 -11.0018 -11.0018 -4.7165 -4.7165 -4.5592 -4.5592 -4.0405 -4.0405 -3.5544 -3.5544 -3.5295 -3.5295 -3.1545 -3.1545 -2.4177 -2.4177 -2.0676 -2.0676 -1.9370 -1.9370 -0.9616 -0.9616 -0.9078 -0.9078 -0.8159 -0.8159 -0.7653 -0.7653 -0.7293 -0.7293 -0.3327 -0.3327 -0.2034 -0.2034 -0.1752 -0.1752 -0.0879 -0.0879 0.0380 0.0380 0.1647 0.1647 0.3028 0.3028 0.6199 0.6199 0.6294 0.6294 0.7386 0.7386 0.7692 0.7692 0.8621 0.8621 0.9109 0.9109 2.2122 2.2122 2.6272 2.6272 k = 0.6062-0.0180 0.3776 ( 8460 PWs) bands (ev): -13.7085 -13.7085 -13.2203 -13.2203 -13.0885 -13.0885 -13.0678 -13.0678 -13.0219 -13.0219 -12.9736 -12.9736 -11.0076 -11.0076 -11.0016 -11.0016 -4.7255 -4.7255 -4.5550 -4.5550 -4.0308 -4.0308 -3.5512 -3.5512 -3.5312 -3.5312 -3.1525 -3.1525 -2.3990 -2.3990 -2.0687 -2.0687 -1.9416 -1.9416 -0.9571 -0.9571 -0.8980 -0.8980 -0.8157 -0.8157 -0.7726 -0.7726 -0.7449 -0.7449 -0.3413 -0.3413 -0.2064 -0.2064 -0.1787 -0.1787 -0.1029 -0.1029 0.0440 0.0440 0.1768 0.1768 0.3077 0.3077 0.6240 0.6240 0.6317 0.6317 0.7342 0.7342 0.7576 0.7576 0.8622 0.8622 0.9048 0.9048 2.1869 2.1869 2.6371 2.6371 k = 0.6125-0.0361 0.3878 ( 8470 PWs) bands (ev): -13.7068 -13.7068 -13.2203 -13.2203 -13.0883 -13.0883 -13.0665 -13.0665 -13.0236 -13.0236 -12.9754 -12.9754 -11.0081 -11.0081 -11.0013 -11.0013 -4.7338 -4.7338 -4.5507 -4.5507 -4.0224 -4.0224 -3.5481 -3.5481 -3.5326 -3.5326 -3.1507 -3.1507 -2.3841 -2.3841 -2.0689 -2.0689 -1.9460 -1.9460 -0.9556 -0.9556 -0.8887 -0.8887 -0.8288 -0.8288 -0.7759 -0.7759 -0.7427 -0.7427 -0.3510 -0.3510 -0.2092 -0.2092 -0.1810 -0.1810 -0.1179 -0.1179 0.0493 0.0493 0.1893 0.1893 0.3119 0.3119 0.6222 0.6222 0.6320 0.6320 0.7330 0.7330 0.7510 0.7510 0.8623 0.8623 0.8994 0.8994 2.1633 2.1633 2.6473 2.6473 k = 0.6188-0.0541 0.3980 ( 8468 PWs) bands (ev): -13.7055 -13.7055 -13.2201 -13.2201 -13.0883 -13.0883 -13.0655 -13.0655 -13.0249 -13.0249 -12.9772 -12.9772 -11.0087 -11.0087 -11.0010 -11.0010 -4.7414 -4.7414 -4.5464 -4.5464 -4.0154 -4.0154 -3.5454 -3.5454 -3.5338 -3.5338 -3.1492 -3.1492 -2.3730 -2.3730 -2.0690 -2.0690 -1.9496 -1.9496 -0.9579 -0.9579 -0.8805 -0.8805 -0.8476 -0.8476 -0.7761 -0.7761 -0.7278 -0.7278 -0.3610 -0.3610 -0.2117 -0.2117 -0.1831 -0.1831 -0.1325 -0.1325 0.0538 0.0538 0.2021 0.2021 0.3157 0.3157 0.6166 0.6166 0.6279 0.6279 0.7356 0.7356 0.7496 0.7496 0.8620 0.8620 0.8950 0.8950 2.1418 2.1418 2.6576 2.6576 k = 0.6250-0.0722 0.4082 ( 8488 PWs) bands (ev): -13.7048 -13.7048 -13.2195 -13.2195 -13.0883 -13.0883 -13.0646 -13.0646 -13.0255 -13.0255 -12.9790 -12.9790 -11.0092 -11.0092 -11.0006 -11.0006 -4.7482 -4.7482 -4.5420 -4.5420 -4.0103 -4.0103 -3.5434 -3.5434 -3.5344 -3.5344 -3.1479 -3.1479 -2.3658 -2.3658 -2.0696 -2.0696 -1.9518 -1.9518 -0.9639 -0.9639 -0.8779 -0.8779 -0.8628 -0.8628 -0.7698 -0.7698 -0.7084 -0.7084 -0.3705 -0.3705 -0.2143 -0.2143 -0.1863 -0.1863 -0.1455 -0.1455 0.0577 0.0577 0.2151 0.2151 0.3190 0.3190 0.6083 0.6083 0.6201 0.6201 0.7414 0.7414 0.7524 0.7524 0.8609 0.8609 0.8923 0.8923 2.1226 2.1226 2.6681 2.6681 k = 0.6250-0.0722 0.4082 ( 8488 PWs) bands (ev): -13.7048 -13.7048 -13.2195 -13.2195 -13.0883 -13.0883 -13.0646 -13.0646 -13.0255 -13.0255 -12.9790 -12.9790 -11.0092 -11.0092 -11.0006 -11.0006 -4.7482 -4.7482 -4.5420 -4.5420 -4.0103 -4.0103 -3.5434 -3.5434 -3.5344 -3.5344 -3.1479 -3.1479 -2.3658 -2.3658 -2.0696 -2.0696 -1.9518 -1.9518 -0.9639 -0.9639 -0.8779 -0.8779 -0.8628 -0.8628 -0.7698 -0.7698 -0.7084 -0.7084 -0.3705 -0.3705 -0.2143 -0.2143 -0.1863 -0.1863 -0.1455 -0.1455 0.0577 0.0577 0.2151 0.2151 0.3190 0.3190 0.6083 0.6083 0.6201 0.6201 0.7414 0.7414 0.7524 0.7524 0.8609 0.8609 0.8923 0.8923 2.1226 2.1226 2.6681 2.6681 k = 0.6146-0.0662 0.4253 ( 8472 PWs) bands (ev): -13.7047 -13.7047 -13.2195 -13.2195 -13.0882 -13.0882 -13.0646 -13.0646 -13.0257 -13.0257 -12.9790 -12.9790 -11.0092 -11.0092 -11.0006 -11.0006 -4.7479 -4.7479 -4.5424 -4.5424 -4.0101 -4.0101 -3.5436 -3.5436 -3.5343 -3.5343 -3.1479 -3.1479 -2.3648 -2.3648 -2.0697 -2.0697 -1.9523 -1.9523 -0.9637 -0.9637 -0.8776 -0.8776 -0.8627 -0.8627 -0.7687 -0.7687 -0.7079 -0.7079 -0.3727 -0.3727 -0.2347 -0.2347 -0.1724 -0.1724 -0.1383 -0.1383 0.0574 0.0574 0.2138 0.2138 0.3192 0.3192 0.6088 0.6088 0.6204 0.6204 0.7414 0.7414 0.7525 0.7525 0.8604 0.8604 0.8918 0.8918 2.1232 2.1232 2.6672 2.6672 k = 0.6042-0.0601 0.4423 ( 8475 PWs) bands (ev): -13.7045 -13.7045 -13.2198 -13.2198 -13.0880 -13.0880 -13.0647 -13.0647 -13.0261 -13.0261 -12.9788 -12.9788 -11.0091 -11.0091 -11.0008 -11.0008 -4.7471 -4.7471 -4.5437 -4.5437 -4.0095 -4.0095 -3.5440 -3.5440 -3.5340 -3.5340 -3.1478 -3.1478 -2.3619 -2.3619 -2.0701 -2.0701 -1.9538 -1.9538 -0.9632 -0.9632 -0.8772 -0.8772 -0.8620 -0.8620 -0.7657 -0.7657 -0.7065 -0.7065 -0.3788 -0.3788 -0.2678 -0.2678 -0.1566 -0.1566 -0.1190 -0.1190 0.0567 0.0567 0.2102 0.2102 0.3197 0.3197 0.6102 0.6102 0.6214 0.6214 0.7413 0.7413 0.7528 0.7528 0.8588 0.8588 0.8903 0.8903 2.1252 2.1252 2.6647 2.6647 k = 0.5938-0.0541 0.4593 ( 8473 PWs) bands (ev): -13.7041 -13.7041 -13.2201 -13.2201 -13.0876 -13.0876 -13.0648 -13.0648 -13.0267 -13.0267 -12.9786 -12.9786 -11.0089 -11.0089 -11.0009 -11.0009 -4.7458 -4.7458 -4.5456 -4.5456 -4.0085 -4.0085 -3.5445 -3.5445 -3.5335 -3.5335 -3.1477 -3.1477 -2.3572 -2.3572 -2.0706 -2.0706 -1.9564 -1.9564 -0.9623 -0.9623 -0.8778 -0.8778 -0.8593 -0.8593 -0.7609 -0.7609 -0.7041 -0.7041 -0.3879 -0.3879 -0.3042 -0.3042 -0.1416 -0.1416 -0.0955 -0.0955 0.0554 0.0554 0.2041 0.2041 0.3206 0.3206 0.6126 0.6126 0.6229 0.6229 0.7411 0.7411 0.7531 0.7531 0.8562 0.8562 0.8879 0.8879 2.1284 2.1284 2.6606 2.6606 k = 0.5833-0.0481 0.4763 ( 8457 PWs) bands (ev): -13.7036 -13.7036 -13.2206 -13.2206 -13.0870 -13.0870 -13.0650 -13.0650 -13.0275 -13.0275 -12.9783 -12.9783 -11.0087 -11.0087 -11.0012 -11.0012 -4.7440 -4.7440 -4.5482 -4.5482 -4.0072 -4.0072 -3.5451 -3.5451 -3.5330 -3.5330 -3.1476 -3.1476 -2.3510 -2.3510 -2.0712 -2.0712 -1.9598 -1.9598 -0.9610 -0.9610 -0.8799 -0.8799 -0.8540 -0.8540 -0.7548 -0.7548 -0.7007 -0.7007 -0.3990 -0.3990 -0.3424 -0.3424 -0.1251 -0.1251 -0.0722 -0.0722 0.0537 0.0537 0.1958 0.1958 0.3218 0.3218 0.6158 0.6158 0.6251 0.6251 0.7406 0.7406 0.7535 0.7535 0.8529 0.8529 0.8847 0.8847 2.1326 2.1326 2.6552 2.6552 k = 0.5729-0.0421 0.4933 ( 8458 PWs) bands (ev): -13.7030 -13.7030 -13.2212 -13.2212 -13.0863 -13.0863 -13.0652 -13.0652 -13.0284 -13.0284 -12.9780 -12.9780 -11.0085 -11.0085 -11.0015 -11.0015 -4.7419 -4.7419 -4.5513 -4.5513 -4.0056 -4.0056 -3.5457 -3.5457 -3.5325 -3.5325 -3.1474 -3.1474 -2.3435 -2.3435 -2.0717 -2.0717 -1.9641 -1.9641 -0.9593 -0.9593 -0.8831 -0.8831 -0.8464 -0.8464 -0.7478 -0.7478 -0.6964 -0.6964 -0.4110 -0.4110 -0.3815 -0.3815 -0.1070 -0.1070 -0.0506 -0.0506 0.0515 0.0515 0.1853 0.1853 0.3232 0.3232 0.6198 0.6198 0.6279 0.6279 0.7398 0.7398 0.7537 0.7537 0.8490 0.8490 0.8808 0.8808 2.1375 2.1375 2.6488 2.6488 k = 0.5625-0.0361 0.5103 ( 8460 PWs) bands (ev): -13.7024 -13.7024 -13.2218 -13.2218 -13.0855 -13.0855 -13.0655 -13.0655 -13.0294 -13.0294 -12.9776 -12.9776 -11.0081 -11.0081 -11.0019 -11.0019 -4.7396 -4.7396 -4.5547 -4.5547 -4.0038 -4.0038 -3.5463 -3.5463 -3.5321 -3.5321 -3.1473 -3.1473 -2.3354 -2.3354 -2.0719 -2.0719 -1.9692 -1.9692 -0.9571 -0.9571 -0.8868 -0.8868 -0.8371 -0.8371 -0.7403 -0.7403 -0.6912 -0.6912 -0.4268 -0.4268 -0.4174 -0.4174 -0.0878 -0.0878 -0.0309 -0.0309 0.0489 0.0489 0.1727 0.1727 0.3247 0.3247 0.6243 0.6243 0.6314 0.6314 0.7385 0.7385 0.7539 0.7539 0.8447 0.8447 0.8766 0.8766 2.1430 2.1430 2.6418 2.6418 k = 0.5521-0.0301 0.5273 ( 8459 PWs) bands (ev): -13.7017 -13.7017 -13.2225 -13.2225 -13.0847 -13.0847 -13.0659 -13.0659 -13.0303 -13.0303 -12.9772 -12.9772 -11.0078 -11.0078 -11.0024 -11.0024 -4.7372 -4.7372 -4.5582 -4.5582 -4.0020 -4.0020 -3.5468 -3.5468 -3.5317 -3.5317 -3.1471 -3.1471 -2.3270 -2.3270 -2.0717 -2.0717 -1.9748 -1.9748 -0.9544 -0.9544 -0.8909 -0.8909 -0.8263 -0.8263 -0.7324 -0.7324 -0.6852 -0.6852 -0.4629 -0.4629 -0.4320 -0.4320 -0.0681 -0.0681 -0.0131 -0.0131 0.0457 0.0457 0.1584 0.1584 0.3263 0.3263 0.6288 0.6288 0.6357 0.6357 0.7364 0.7364 0.7538 0.7538 0.8406 0.8406 0.8722 0.8722 2.1485 2.1485 2.6345 2.6345 k = 0.5417-0.0241 0.5443 ( 8463 PWs) bands (ev): -13.7011 -13.7011 -13.2231 -13.2231 -13.0838 -13.0838 -13.0665 -13.0665 -13.0312 -13.0312 -12.9769 -12.9769 -11.0073 -11.0073 -11.0029 -11.0029 -4.7349 -4.7349 -4.5616 -4.5616 -4.0001 -4.0001 -3.5471 -3.5471 -3.5315 -3.5315 -3.1468 -3.1468 -2.3190 -2.3190 -2.0707 -2.0707 -1.9809 -1.9809 -0.9513 -0.9513 -0.8950 -0.8950 -0.8145 -0.8145 -0.7245 -0.7245 -0.6787 -0.6787 -0.5015 -0.5015 -0.4420 -0.4420 -0.0487 -0.0487 0.0031 0.0031 0.0421 0.0421 0.1425 0.1425 0.3278 0.3278 0.6328 0.6328 0.6411 0.6411 0.7333 0.7333 0.7536 0.7536 0.8368 0.8368 0.8680 0.8680 2.1538 2.1538 2.6276 2.6276 k = 0.5312-0.0180 0.5613 ( 8455 PWs) bands (ev): -13.7005 -13.7005 -13.2237 -13.2237 -13.0829 -13.0829 -13.0670 -13.0670 -13.0319 -13.0319 -12.9766 -12.9766 -11.0069 -11.0069 -11.0034 -11.0034 -4.7328 -4.7328 -4.5646 -4.5646 -3.9985 -3.9985 -3.5474 -3.5474 -3.5313 -3.5313 -3.1467 -3.1467 -2.3120 -2.3120 -2.0689 -2.0689 -1.9870 -1.9870 -0.9479 -0.9479 -0.8991 -0.8991 -0.8022 -0.8022 -0.7168 -0.7168 -0.6726 -0.6726 -0.5378 -0.5378 -0.4500 -0.4500 -0.0303 -0.0303 0.0184 0.0184 0.0379 0.0379 0.1252 0.1252 0.3291 0.3291 0.6362 0.6362 0.6473 0.6473 0.7293 0.7293 0.7533 0.7533 0.8337 0.8337 0.8642 0.8642 2.1584 2.1584 2.6214 2.6214 k = 0.5208-0.0120 0.5784 ( 8451 PWs) bands (ev): -13.7000 -13.7000 -13.2242 -13.2242 -13.0822 -13.0822 -13.0676 -13.0676 -13.0325 -13.0325 -12.9764 -12.9764 -11.0063 -11.0063 -11.0040 -11.0040 -4.7312 -4.7312 -4.5669 -4.5669 -3.9972 -3.9972 -3.5475 -3.5475 -3.5312 -3.5312 -3.1465 -3.1465 -2.3066 -2.3066 -2.0665 -2.0665 -1.9926 -1.9926 -0.9446 -0.9446 -0.9028 -0.9028 -0.7901 -0.7901 -0.7097 -0.7097 -0.6681 -0.6681 -0.5689 -0.5689 -0.4560 -0.4560 -0.0144 -0.0144 0.0327 0.0327 0.0343 0.0343 0.1070 0.1070 0.3301 0.3301 0.6388 0.6388 0.6534 0.6534 0.7248 0.7248 0.7529 0.7529 0.8314 0.8314 0.8613 0.8613 2.1620 2.1620 2.6165 2.6165 k = 0.5104-0.0060 0.5954 ( 8442 PWs) bands (ev): -13.6996 -13.6996 -13.2245 -13.2245 -13.0817 -13.0817 -13.0680 -13.0680 -13.0328 -13.0328 -12.9762 -12.9762 -11.0058 -11.0058 -11.0046 -11.0046 -4.7302 -4.7302 -4.5684 -4.5684 -3.9962 -3.9962 -3.5476 -3.5476 -3.5312 -3.5312 -3.1464 -3.1464 -2.3032 -2.3032 -2.0641 -2.0641 -1.9968 -1.9968 -0.9419 -0.9419 -0.9057 -0.9057 -0.7798 -0.7798 -0.7042 -0.7042 -0.6675 -0.6675 -0.5897 -0.5897 -0.4597 -0.4597 -0.0026 -0.0026 0.0287 0.0287 0.0499 0.0499 0.0884 0.0884 0.3308 0.3308 0.6405 0.6405 0.6583 0.6583 0.7208 0.7208 0.7525 0.7525 0.8301 0.8301 0.8594 0.8594 2.1643 2.1643 2.6134 2.6134 k = 0.5000 0.0000 0.6124 ( 8432 PWs) bands (ev): -13.6995 -13.6995 -13.2246 -13.2246 -13.0815 -13.0815 -13.0681 -13.0681 -13.0329 -13.0329 -12.9762 -12.9762 -11.0053 -11.0053 -11.0051 -11.0051 -4.7299 -4.7299 -4.5689 -4.5689 -3.9959 -3.9959 -3.5476 -3.5476 -3.5312 -3.5312 -3.1463 -3.1463 -2.3020 -2.3020 -2.0630 -2.0630 -1.9986 -1.9986 -0.9408 -0.9408 -0.9069 -0.9069 -0.7751 -0.7751 -0.7024 -0.7024 -0.6691 -0.6691 -0.5963 -0.5963 -0.4609 -0.4609 0.0022 0.0022 0.0265 0.0265 0.0634 0.0634 0.0740 0.0740 0.3310 0.3310 0.6411 0.6411 0.6604 0.6604 0.7190 0.7190 0.7523 0.7523 0.8297 0.8297 0.8588 0.8588 2.1651 2.1651 2.6123 2.6123 k = 0.5000 0.0000 0.6124 ( 8432 PWs) bands (ev): -13.6995 -13.6995 -13.2246 -13.2246 -13.0815 -13.0815 -13.0681 -13.0681 -13.0329 -13.0329 -12.9762 -12.9762 -11.0053 -11.0053 -11.0051 -11.0051 -4.7299 -4.7299 -4.5689 -4.5689 -3.9959 -3.9959 -3.5476 -3.5476 -3.5312 -3.5312 -3.1463 -3.1463 -2.3020 -2.3020 -2.0630 -2.0630 -1.9986 -1.9986 -0.9408 -0.9408 -0.9069 -0.9069 -0.7751 -0.7751 -0.7024 -0.7024 -0.6691 -0.6691 -0.5963 -0.5963 -0.4609 -0.4609 0.0022 0.0022 0.0265 0.0265 0.0634 0.0634 0.0740 0.0740 0.3310 0.3310 0.6411 0.6411 0.6604 0.6604 0.7190 0.7190 0.7523 0.7523 0.8297 0.8297 0.8588 0.8588 2.1651 2.1651 2.6123 2.6123 k = 0.5000 0.0126 0.5946 ( 8440 PWs) bands (ev): -13.6997 -13.6997 -13.2245 -13.2245 -13.0817 -13.0817 -13.0681 -13.0681 -13.0327 -13.0327 -12.9761 -12.9761 -11.0053 -11.0053 -11.0051 -11.0051 -4.7293 -4.7293 -4.5690 -4.5690 -3.9969 -3.9969 -3.5477 -3.5477 -3.5312 -3.5312 -3.1465 -3.1465 -2.3042 -2.3042 -2.0644 -2.0644 -1.9961 -1.9961 -0.9406 -0.9406 -0.9065 -0.9065 -0.7792 -0.7792 -0.7054 -0.7054 -0.6676 -0.6676 -0.5906 -0.5906 -0.4581 -0.4581 0.0017 0.0017 0.0261 0.0261 0.0628 0.0628 0.0741 0.0741 0.3303 0.3303 0.6417 0.6417 0.6601 0.6601 0.7193 0.7193 0.7516 0.7516 0.8304 0.8304 0.8599 0.8599 2.1667 2.1667 2.6120 2.6120 k = 0.5000 0.0251 0.5769 ( 8452 PWs) bands (ev): -13.7004 -13.7004 -13.2243 -13.2243 -13.0822 -13.0822 -13.0679 -13.0679 -13.0320 -13.0320 -12.9757 -12.9757 -11.0052 -11.0052 -11.0050 -11.0050 -4.7277 -4.7277 -4.5693 -4.5693 -3.9997 -3.9997 -3.5482 -3.5482 -3.5312 -3.5312 -3.1471 -3.1471 -2.3106 -2.3106 -2.0676 -2.0676 -1.9897 -1.9897 -0.9406 -0.9406 -0.9051 -0.9051 -0.7894 -0.7894 -0.7165 -0.7165 -0.6596 -0.6596 -0.5770 -0.5770 -0.4499 -0.4499 0.0000 0.0000 0.0249 0.0249 0.0610 0.0610 0.0745 0.0745 0.3282 0.3282 0.6430 0.6430 0.6593 0.6593 0.7200 0.7200 0.7503 0.7503 0.8322 0.8322 0.8633 0.8633 2.1716 2.1716 2.6111 2.6111 k = 0.5000 0.0377 0.5591 ( 8454 PWs) bands (ev): -13.7015 -13.7015 -13.2240 -13.2240 -13.0830 -13.0830 -13.0678 -13.0678 -13.0309 -13.0309 -12.9751 -12.9751 -11.0052 -11.0052 -11.0049 -11.0049 -4.7249 -4.7249 -4.5699 -4.5699 -4.0043 -4.0043 -3.5490 -3.5490 -3.5310 -3.5310 -3.1480 -3.1480 -2.3213 -2.3213 -2.0710 -2.0710 -1.9811 -1.9811 -0.9417 -0.9417 -0.9018 -0.9018 -0.8022 -0.8022 -0.7331 -0.7331 -0.6457 -0.6457 -0.5606 -0.5606 -0.4363 -0.4363 -0.0028 -0.0028 0.0229 0.0229 0.0584 0.0584 0.0751 0.0751 0.3250 0.3250 0.6441 0.6441 0.6575 0.6575 0.7216 0.7216 0.7497 0.7497 0.8346 0.8346 0.8686 0.8686 2.1796 2.1796 2.6096 2.6096 k = 0.5000 0.0502 0.5414 ( 8454 PWs) bands (ev): -13.7030 -13.7030 -13.2235 -13.2235 -13.0839 -13.0839 -13.0679 -13.0679 -13.0293 -13.0293 -12.9743 -12.9743 -11.0051 -11.0051 -11.0047 -11.0047 -4.7212 -4.7212 -4.5706 -4.5706 -4.0106 -4.0106 -3.5503 -3.5503 -3.5308 -3.5308 -3.1493 -3.1493 -2.3361 -2.3361 -2.0735 -2.0735 -1.9716 -1.9716 -0.9449 -0.9449 -0.8965 -0.8965 -0.8146 -0.8146 -0.7515 -0.7515 -0.6287 -0.6287 -0.5441 -0.5441 -0.4178 -0.4178 -0.0068 -0.0068 0.0200 0.0200 0.0550 0.0550 0.0760 0.0760 0.3208 0.3208 0.6438 0.6438 0.6546 0.6546 0.7241 0.7241 0.7516 0.7516 0.8372 0.8372 0.8754 0.8754 2.1907 2.1907 2.6075 2.6075 k = 0.5000 0.0628 0.5236 ( 8458 PWs) bands (ev): -13.7049 -13.7049 -13.2229 -13.2229 -13.0849 -13.0849 -13.0683 -13.0683 -13.0272 -13.0272 -12.9732 -12.9732 -11.0051 -11.0051 -11.0045 -11.0045 -4.7164 -4.7164 -4.5715 -4.5715 -4.0185 -4.0185 -3.5520 -3.5520 -3.5302 -3.5302 -3.1508 -3.1508 -2.3546 -2.3546 -2.0745 -2.0745 -1.9621 -1.9621 -0.9499 -0.9499 -0.8917 -0.8917 -0.8232 -0.8232 -0.7698 -0.7698 -0.6105 -0.6105 -0.5283 -0.5283 -0.3953 -0.3953 -0.0121 -0.0121 0.0162 0.0162 0.0514 0.0514 0.0771 0.0771 0.3159 0.3159 0.6406 0.6406 0.6506 0.6506 0.7281 0.7281 0.7570 0.7570 0.8399 0.8399 0.8833 0.8833 2.2046 2.2046 2.6049 2.6049 k = 0.5000 0.0753 0.5059 ( 8462 PWs) bands (ev): -13.7071 -13.7071 -13.2222 -13.2222 -13.0859 -13.0859 -13.0690 -13.0690 -13.0246 -13.0246 -12.9720 -12.9720 -11.0050 -11.0050 -11.0042 -11.0042 -4.7108 -4.7108 -4.5726 -4.5726 -4.0277 -4.0277 -3.5540 -3.5540 -3.5294 -3.5294 -3.1526 -3.1526 -2.3763 -2.3763 -2.0739 -2.0739 -1.9532 -1.9532 -0.9562 -0.9562 -0.8915 -0.8915 -0.8243 -0.8243 -0.7865 -0.7865 -0.5917 -0.5917 -0.5131 -0.5131 -0.3700 -0.3700 -0.0185 -0.0185 0.0113 0.0113 0.0476 0.0476 0.0784 0.0784 0.3103 0.3103 0.6341 0.6341 0.6456 0.6456 0.7337 0.7337 0.7662 0.7662 0.8427 0.8427 0.8917 0.8917 2.2212 2.2212 2.6018 2.6018 k = 0.5000 0.0879 0.4881 ( 8458 PWs) bands (ev): -13.7095 -13.7095 -13.2214 -13.2214 -13.0868 -13.0868 -13.0700 -13.0700 -13.0217 -13.0217 -12.9707 -12.9707 -11.0050 -11.0050 -11.0039 -11.0039 -4.7043 -4.7043 -4.5738 -4.5738 -4.0380 -4.0380 -3.5564 -3.5564 -3.5283 -3.5283 -3.1545 -3.1545 -2.4007 -2.4007 -2.0720 -2.0720 -1.9452 -1.9452 -0.9633 -0.9633 -0.8976 -0.8976 -0.8206 -0.8206 -0.7967 -0.7967 -0.5730 -0.5730 -0.4981 -0.4981 -0.3430 -0.3430 -0.0259 -0.0259 0.0052 0.0052 0.0440 0.0440 0.0800 0.0800 0.3043 0.3043 0.6248 0.6248 0.6397 0.6397 0.7408 0.7408 0.7785 0.7785 0.8454 0.8454 0.9003 0.9003 2.2402 2.2402 2.5982 2.5982 k = 0.5000 0.1004 0.4704 ( 8460 PWs) bands (ev): -13.7122 -13.7122 -13.2205 -13.2205 -13.0877 -13.0877 -13.0714 -13.0714 -13.0184 -13.0184 -12.9691 -12.9691 -11.0049 -11.0049 -11.0036 -11.0036 -4.6971 -4.6971 -4.5753 -4.5753 -4.0492 -4.0492 -3.5591 -3.5591 -3.5269 -3.5269 -3.1566 -3.1566 -2.4273 -2.4273 -2.0690 -2.0690 -1.9382 -1.9382 -0.9706 -0.9706 -0.9076 -0.9076 -0.8281 -0.8281 -0.7872 -0.7872 -0.5547 -0.5547 -0.4828 -0.4828 -0.3155 -0.3155 -0.0340 -0.0340 -0.0022 -0.0022 0.0406 0.0406 0.0819 0.0819 0.2977 0.2977 0.6139 0.6139 0.6326 0.6326 0.7492 0.7492 0.7930 0.7930 0.8483 0.8483 0.9089 0.9089 2.2613 2.2613 2.5942 2.5942 k = 0.5000 0.1130 0.4526 ( 8450 PWs) bands (ev): -13.7151 -13.7151 -13.2194 -13.2194 -13.0886 -13.0886 -13.0730 -13.0730 -13.0149 -13.0149 -12.9675 -12.9675 -11.0049 -11.0049 -11.0032 -11.0032 -4.6893 -4.6893 -4.5768 -4.5768 -4.0610 -4.0610 -3.5618 -3.5618 -3.5253 -3.5253 -3.1587 -3.1587 -2.4553 -2.4553 -2.0654 -2.0654 -1.9322 -1.9322 -0.9779 -0.9779 -0.9186 -0.9186 -0.8415 -0.8415 -0.7660 -0.7660 -0.5372 -0.5372 -0.4668 -0.4668 -0.2881 -0.2881 -0.0423 -0.0423 -0.0106 -0.0106 0.0374 0.0374 0.0841 0.0841 0.2906 0.2906 0.6021 0.6021 0.6244 0.6244 0.7586 0.7586 0.8089 0.8089 0.8512 0.8512 0.9172 0.9172 2.2840 2.2840 2.5899 2.5899 k = 0.5000 0.1255 0.4349 ( 8448 PWs) bands (ev): -13.7181 -13.7181 -13.2184 -13.2184 -13.0893 -13.0893 -13.0749 -13.0749 -13.0113 -13.0113 -12.9657 -12.9657 -11.0048 -11.0048 -11.0028 -11.0028 -4.6811 -4.6811 -4.5785 -4.5785 -4.0732 -4.0732 -3.5646 -3.5646 -3.5236 -3.5236 -3.1608 -3.1608 -2.4843 -2.4843 -2.0616 -2.0616 -1.9273 -1.9273 -0.9850 -0.9850 -0.9293 -0.9293 -0.8549 -0.8549 -0.7404 -0.7404 -0.5210 -0.5210 -0.4497 -0.4497 -0.2619 -0.2619 -0.0504 -0.0504 -0.0201 -0.0201 0.0343 0.0343 0.0867 0.0867 0.2827 0.2827 0.5901 0.5901 0.6153 0.6153 0.7688 0.7688 0.8256 0.8256 0.8541 0.8541 0.9252 0.9252 2.3081 2.3081 2.5853 2.5853 k = 0.5000 0.1381 0.4171 ( 8448 PWs) bands (ev): -13.7211 -13.7211 -13.2172 -13.2172 -13.0901 -13.0901 -13.0769 -13.0769 -13.0077 -13.0077 -12.9638 -12.9638 -11.0047 -11.0047 -11.0024 -11.0024 -4.6726 -4.6726 -4.5802 -4.5802 -4.0856 -4.0856 -3.5674 -3.5674 -3.5217 -3.5217 -3.1630 -3.1630 -2.5138 -2.5138 -2.0576 -2.0576 -1.9235 -1.9235 -0.9918 -0.9918 -0.9390 -0.9390 -0.8677 -0.8677 -0.7124 -0.7124 -0.5063 -0.5063 -0.4313 -0.4313 -0.2376 -0.2376 -0.0577 -0.0577 -0.0304 -0.0304 0.0311 0.0311 0.0896 0.0896 0.2739 0.2739 0.5783 0.5783 0.6054 0.6054 0.7794 0.7794 0.8420 0.8420 0.8575 0.8575 0.9328 0.9328 2.3331 2.3331 2.5805 2.5805 k = 0.5000 0.1506 0.3994 ( 8442 PWs) bands (ev): -13.7241 -13.7241 -13.2160 -13.2160 -13.0907 -13.0907 -13.0789 -13.0789 -13.0043 -13.0043 -12.9618 -12.9618 -11.0047 -11.0047 -11.0020 -11.0020 -4.6639 -4.6639 -4.5820 -4.5820 -4.0978 -4.0978 -3.5701 -3.5701 -3.5197 -3.5197 -3.1650 -3.1650 -2.5432 -2.5432 -2.0539 -2.0539 -1.9205 -1.9205 -0.9982 -0.9982 -0.9475 -0.9475 -0.8794 -0.8794 -0.6828 -0.6828 -0.4933 -0.4933 -0.4114 -0.4114 -0.2162 -0.2162 -0.0637 -0.0637 -0.0411 -0.0411 0.0278 0.0278 0.0927 0.0927 0.2641 0.2641 0.5672 0.5672 0.5950 0.5950 0.7903 0.7903 0.8552 0.8552 0.8638 0.8638 0.9400 0.9400 2.3586 2.3586 2.5756 2.5756 k = 0.5000 0.1632 0.3816 ( 8452 PWs) bands (ev): -13.7271 -13.7271 -13.2148 -13.2148 -13.0913 -13.0913 -13.0810 -13.0810 -13.0010 -13.0010 -12.9598 -12.9598 -11.0046 -11.0046 -11.0016 -11.0016 -4.6553 -4.6553 -4.5837 -4.5837 -4.1097 -4.1097 -3.5726 -3.5726 -3.5176 -3.5176 -3.1669 -3.1669 -2.5721 -2.5721 -2.0505 -2.0505 -1.9182 -1.9182 -1.0042 -1.0042 -0.9547 -0.9547 -0.8901 -0.8901 -0.6523 -0.6523 -0.4819 -0.4819 -0.3900 -0.3900 -0.1987 -0.1987 -0.0687 -0.0687 -0.0508 -0.0508 0.0244 0.0244 0.0960 0.0960 0.2534 0.2534 0.5569 0.5569 0.5841 0.5841 0.8012 0.8012 0.8603 0.8603 0.8775 0.8775 0.9467 0.9467 2.3839 2.3839 2.5707 2.5707 k = 0.5000 0.1757 0.3639 ( 8458 PWs) bands (ev): -13.7299 -13.7299 -13.2136 -13.2136 -13.0918 -13.0918 -13.0831 -13.0831 -12.9980 -12.9980 -12.9577 -12.9577 -11.0045 -11.0045 -11.0012 -11.0012 -4.6470 -4.6470 -4.5854 -4.5854 -4.1210 -4.1210 -3.5749 -3.5749 -3.5155 -3.5155 -3.1687 -3.1687 -2.6000 -2.6000 -2.0475 -2.0475 -1.9166 -1.9166 -1.0097 -1.0097 -0.9604 -0.9604 -0.8998 -0.8998 -0.6217 -0.6217 -0.4719 -0.4719 -0.3673 -0.3673 -0.1859 -0.1859 -0.0754 -0.0754 -0.0559 -0.0559 0.0206 0.0206 0.0995 0.0995 0.2417 0.2417 0.5477 0.5477 0.5731 0.5731 0.8118 0.8118 0.8633 0.8633 0.8923 0.8923 0.9529 0.9529 2.4088 2.4088 2.5660 2.5660 k = 0.5000 0.1883 0.3461 ( 8460 PWs) bands (ev): -13.7326 -13.7326 -13.2124 -13.2124 -13.0923 -13.0923 -13.0851 -13.0851 -12.9953 -12.9953 -12.9556 -12.9556 -11.0045 -11.0045 -11.0008 -11.0008 -4.6391 -4.6391 -4.5868 -4.5868 -4.1316 -4.1316 -3.5770 -3.5770 -3.5134 -3.5134 -3.1704 -3.1704 -2.6265 -2.6265 -2.0450 -2.0450 -1.9156 -1.9156 -1.0148 -1.0148 -0.9649 -0.9649 -0.9084 -0.9084 -0.5916 -0.5916 -0.4633 -0.4633 -0.3436 -0.3436 -0.1782 -0.1782 -0.0858 -0.0858 -0.0541 -0.0541 0.0164 0.0164 0.1030 0.1030 0.2293 0.2293 0.5396 0.5396 0.5622 0.5622 0.8218 0.8218 0.8660 0.8660 0.9062 0.9062 0.9587 0.9587 2.4326 2.4326 2.5614 2.5614 k = 0.5000 0.2008 0.3284 ( 8462 PWs) bands (ev): -13.7351 -13.7351 -13.2113 -13.2113 -13.0927 -13.0927 -13.0870 -13.0870 -12.9930 -12.9930 -12.9535 -12.9535 -11.0044 -11.0044 -11.0005 -11.0005 -4.6320 -4.6320 -4.5879 -4.5879 -4.1413 -4.1413 -3.5788 -3.5788 -3.5113 -3.5113 -3.1719 -3.1719 -2.6511 -2.6511 -2.0429 -2.0429 -1.9149 -1.9149 -1.0194 -1.0194 -0.9684 -0.9684 -0.9159 -0.9159 -0.5627 -0.5627 -0.4559 -0.4559 -0.3190 -0.3190 -0.1747 -0.1747 -0.0980 -0.0980 -0.0481 -0.0481 0.0116 0.0116 0.1063 0.1063 0.2168 0.2168 0.5327 0.5327 0.5515 0.5515 0.8311 0.8311 0.8685 0.8685 0.9188 0.9188 0.9640 0.9640 2.4549 2.4549 2.5572 2.5572 k = 0.5000 0.2134 0.3106 ( 8470 PWs) bands (ev): -13.7373 -13.7373 -13.2103 -13.2103 -13.0931 -13.0931 -13.0887 -13.0887 -12.9909 -12.9909 -12.9516 -12.9516 -11.0044 -11.0044 -11.0002 -11.0002 -4.6259 -4.6259 -4.5885 -4.5885 -4.1499 -4.1499 -3.5804 -3.5804 -3.5093 -3.5093 -3.1732 -3.1732 -2.6735 -2.6735 -2.0413 -2.0413 -1.9145 -1.9145 -1.0234 -1.0234 -0.9709 -0.9709 -0.9223 -0.9223 -0.5356 -0.5356 -0.4494 -0.4494 -0.2941 -0.2941 -0.1742 -0.1742 -0.1104 -0.1104 -0.0404 -0.0404 0.0061 0.0061 0.1093 0.1093 0.2047 0.2047 0.5270 0.5270 0.5413 0.5413 0.8392 0.8392 0.8710 0.8710 0.9297 0.9297 0.9690 0.9690 2.4751 2.4751 2.5536 2.5536 k = 0.5000 0.2259 0.2929 ( 8464 PWs) bands (ev): -13.7393 -13.7393 -13.2093 -13.2093 -13.0934 -13.0934 -13.0902 -13.0902 -12.9892 -12.9892 -12.9498 -12.9498 -11.0044 -11.0044 -10.9999 -10.9999 -4.6211 -4.6211 -4.5886 -4.5886 -4.1574 -4.1574 -3.5818 -3.5818 -3.5075 -3.5075 -3.1743 -3.1743 -2.6932 -2.6932 -2.0402 -2.0402 -1.9143 -1.9143 -1.0269 -1.0269 -0.9727 -0.9727 -0.9276 -0.9276 -0.5112 -0.5112 -0.4434 -0.4434 -0.2696 -0.2696 -0.1750 -0.1750 -0.1223 -0.1223 -0.0333 -0.0333 -0.0003 -0.0003 0.1117 0.1117 0.1938 0.1938 0.5223 0.5223 0.5320 0.5320 0.8461 0.8461 0.8735 0.8735 0.9388 0.9388 0.9736 0.9736 2.4926 2.4926 2.5506 2.5506 k = 0.5000 0.2385 0.2751 ( 8462 PWs) bands (ev): -13.7409 -13.7409 -13.2085 -13.2085 -13.0936 -13.0936 -13.0915 -13.0915 -12.9879 -12.9879 -12.9482 -12.9482 -11.0043 -11.0043 -10.9997 -10.9997 -4.6175 -4.6175 -4.5880 -4.5880 -4.1636 -4.1636 -3.5829 -3.5829 -3.5059 -3.5059 -3.1752 -3.1752 -2.7099 -2.7099 -2.0393 -2.0393 -1.9142 -1.9142 -1.0297 -1.0297 -0.9740 -0.9740 -0.9319 -0.9319 -0.4904 -0.4904 -0.4377 -0.4377 -0.2469 -0.2469 -0.1756 -0.1756 -0.1329 -0.1329 -0.0287 -0.0287 -0.0067 -0.0067 0.1133 0.1133 0.1849 0.1849 0.5185 0.5185 0.5239 0.5239 0.8516 0.8516 0.8759 0.8759 0.9460 0.9460 0.9778 0.9778 2.5070 2.5070 2.5487 2.5487 k = 0.5000 0.2510 0.2574 ( 8460 PWs) bands (ev): -13.7422 -13.7422 -13.2079 -13.2079 -13.0938 -13.0938 -13.0926 -13.0926 -12.9868 -12.9868 -12.9470 -12.9470 -11.0043 -11.0043 -10.9995 -10.9995 -4.6152 -4.6152 -4.5871 -4.5871 -4.1685 -4.1685 -3.5837 -3.5837 -3.5046 -3.5046 -3.1759 -3.1759 -2.7233 -2.7233 -2.0387 -2.0387 -1.9142 -1.9142 -1.0319 -1.0319 -0.9749 -0.9749 -0.9352 -0.9352 -0.4744 -0.4744 -0.4319 -0.4319 -0.2284 -0.2284 -0.1738 -0.1738 -0.1416 -0.1416 -0.0302 -0.0302 -0.0101 -0.0101 0.1142 0.1142 0.1784 0.1784 0.5150 0.5150 0.5179 0.5179 0.8556 0.8556 0.8782 0.8782 0.9514 0.9514 0.9814 0.9814 2.5175 2.5175 2.5481 2.5481 k = 0.5000 0.2636 0.2396 ( 8458 PWs) bands (ev): -13.7431 -13.7431 -13.2074 -13.2074 -13.0939 -13.0939 -13.0934 -13.0934 -12.9861 -12.9861 -12.9460 -12.9460 -11.0043 -11.0043 -10.9993 -10.9993 -4.6139 -4.6139 -4.5860 -4.5860 -4.1720 -4.1720 -3.5843 -3.5843 -3.5036 -3.5036 -3.1764 -3.1764 -2.7330 -2.7330 -2.0384 -2.0384 -1.9143 -1.9143 -1.0335 -1.0335 -0.9755 -0.9755 -0.9375 -0.9375 -0.4638 -0.4638 -0.4259 -0.4259 -0.2176 -0.2176 -0.1673 -0.1673 -0.1479 -0.1479 -0.0378 -0.0378 -0.0095 -0.0095 0.1144 0.1144 0.1743 0.1743 0.5109 0.5109 0.5150 0.5150 0.8582 0.8582 0.8801 0.8801 0.9550 0.9550 0.9843 0.9843 2.5238 2.5238 2.5490 2.5490 k = 0.5000 0.2761 0.2219 ( 8452 PWs) bands (ev): -13.7437 -13.7437 -13.2071 -13.2071 -13.0940 -13.0940 -13.0938 -13.0938 -12.9857 -12.9857 -12.9455 -12.9455 -11.0043 -11.0043 -10.9993 -10.9993 -4.6132 -4.6132 -4.5852 -4.5852 -4.1742 -4.1742 -3.5846 -3.5846 -3.5030 -3.5030 -3.1767 -3.1767 -2.7389 -2.7389 -2.0381 -2.0381 -1.9143 -1.9143 -1.0344 -1.0344 -0.9758 -0.9758 -0.9389 -0.9389 -0.4582 -0.4582 -0.4212 -0.4212 -0.2137 -0.2137 -0.1585 -0.1585 -0.1516 -0.1516 -0.0460 -0.0460 -0.0083 -0.0083 0.1143 0.1143 0.1722 0.1722 0.5079 0.5079 0.5138 0.5138 0.8597 0.8597 0.8814 0.8814 0.9571 0.9571 0.9861 0.9861 2.5267 2.5267 2.5506 2.5506 k = 0.5000 0.2887 0.2041 ( 8424 PWs) bands (ev): -13.7439 -13.7439 -13.2070 -13.2070 -13.0940 -13.0940 -13.0940 -13.0940 -12.9855 -12.9855 -12.9453 -12.9453 -11.0043 -11.0043 -10.9992 -10.9992 -4.6130 -4.6130 -4.5849 -4.5849 -4.1749 -4.1749 -3.5847 -3.5847 -3.5028 -3.5028 -3.1768 -3.1768 -2.7409 -2.7409 -2.0381 -2.0381 -1.9143 -1.9143 -1.0347 -1.0347 -0.9759 -0.9759 -0.9394 -0.9394 -0.4565 -0.4565 -0.4193 -0.4193 -0.2130 -0.2130 -0.1548 -0.1548 -0.1525 -0.1525 -0.0495 -0.0495 -0.0078 -0.0078 0.1143 0.1143 0.1716 0.1716 0.5068 0.5068 0.5134 0.5134 0.8602 0.8602 0.8819 0.8819 0.9578 0.9578 0.9867 0.9867 2.5275 2.5275 2.5513 2.5513 k = 0.5000 0.2887 0.2041 ( 8424 PWs) bands (ev): -13.7439 -13.7439 -13.2070 -13.2070 -13.0940 -13.0940 -13.0940 -13.0940 -12.9855 -12.9855 -12.9453 -12.9453 -11.0043 -11.0043 -10.9992 -10.9992 -4.6130 -4.6130 -4.5849 -4.5849 -4.1749 -4.1749 -3.5847 -3.5847 -3.5028 -3.5028 -3.1768 -3.1768 -2.7409 -2.7409 -2.0381 -2.0381 -1.9143 -1.9143 -1.0347 -1.0347 -0.9759 -0.9759 -0.9394 -0.9394 -0.4565 -0.4565 -0.4193 -0.4193 -0.2130 -0.2130 -0.1548 -0.1548 -0.1525 -0.1525 -0.0495 -0.0495 -0.0078 -0.0078 0.1143 0.1143 0.1716 0.1716 0.5068 0.5068 0.5134 0.5134 0.8602 0.8602 0.8819 0.8819 0.9578 0.9578 0.9867 0.9867 2.5275 2.5275 2.5513 2.5513 k = 0.4938 0.2851 0.2245 ( 8455 PWs) bands (ev): -13.7437 -13.7437 -13.2071 -13.2071 -13.0940 -13.0940 -13.0938 -13.0938 -12.9857 -12.9857 -12.9455 -12.9455 -11.0043 -11.0043 -10.9993 -10.9993 -4.6132 -4.6132 -4.5852 -4.5852 -4.1742 -4.1742 -3.5846 -3.5846 -3.5030 -3.5030 -3.1767 -3.1767 -2.7389 -2.7389 -2.0381 -2.0381 -1.9143 -1.9143 -1.0344 -1.0344 -0.9758 -0.9758 -0.9389 -0.9389 -0.4582 -0.4582 -0.4212 -0.4212 -0.2137 -0.2137 -0.1585 -0.1585 -0.1516 -0.1516 -0.0460 -0.0460 -0.0083 -0.0083 0.1143 0.1143 0.1722 0.1722 0.5079 0.5079 0.5137 0.5137 0.8597 0.8597 0.8814 0.8814 0.9571 0.9571 0.9861 0.9861 2.5267 2.5267 2.5506 2.5506 k = 0.4875 0.2815 0.2449 ( 8457 PWs) bands (ev): -13.7431 -13.7431 -13.2074 -13.2074 -13.0939 -13.0939 -13.0934 -13.0934 -12.9861 -12.9861 -12.9460 -12.9460 -11.0043 -11.0043 -10.9993 -10.9993 -4.6138 -4.6138 -4.5860 -4.5860 -4.1720 -4.1720 -3.5843 -3.5843 -3.5036 -3.5036 -3.1764 -3.1764 -2.7331 -2.7331 -2.0383 -2.0383 -1.9143 -1.9143 -1.0335 -1.0335 -0.9755 -0.9755 -0.9375 -0.9375 -0.4637 -0.4637 -0.4259 -0.4259 -0.2174 -0.2174 -0.1675 -0.1675 -0.1477 -0.1477 -0.0379 -0.0379 -0.0095 -0.0095 0.1144 0.1144 0.1743 0.1743 0.5108 0.5108 0.5150 0.5150 0.8583 0.8583 0.8801 0.8801 0.9550 0.9550 0.9843 0.9843 2.5239 2.5239 2.5491 2.5491 k = 0.4813 0.2778 0.2654 ( 8472 PWs) bands (ev): -13.7422 -13.7422 -13.2079 -13.2079 -13.0938 -13.0938 -13.0926 -13.0926 -12.9868 -12.9868 -12.9470 -12.9470 -11.0043 -11.0043 -10.9995 -10.9995 -4.6152 -4.6152 -4.5870 -4.5870 -4.1685 -4.1685 -3.5837 -3.5837 -3.5046 -3.5046 -3.1759 -3.1759 -2.7234 -2.7234 -2.0387 -2.0387 -1.9142 -1.9142 -1.0319 -1.0319 -0.9749 -0.9749 -0.9353 -0.9353 -0.4740 -0.4740 -0.4322 -0.4322 -0.2273 -0.2273 -0.1753 -0.1753 -0.1408 -0.1408 -0.0306 -0.0306 -0.0098 -0.0098 0.1142 0.1142 0.1783 0.1783 0.5149 0.5149 0.5179 0.5179 0.8556 0.8556 0.8782 0.8782 0.9514 0.9514 0.9815 0.9815 2.5176 2.5176 2.5481 2.5481 k = 0.4750 0.2742 0.2858 ( 8464 PWs) bands (ev): -13.7409 -13.7409 -13.2085 -13.2085 -13.0936 -13.0936 -13.0916 -13.0916 -12.9879 -12.9879 -12.9482 -12.9482 -11.0043 -11.0043 -10.9997 -10.9997 -4.6175 -4.6175 -4.5880 -4.5880 -4.1637 -4.1637 -3.5829 -3.5829 -3.5059 -3.5059 -3.1752 -3.1752 -2.7102 -2.7102 -2.0393 -2.0393 -1.9142 -1.9142 -1.0297 -1.0297 -0.9741 -0.9741 -0.9320 -0.9320 -0.4891 -0.4891 -0.4395 -0.4395 -0.2434 -0.2434 -0.1794 -0.1794 -0.1311 -0.1311 -0.0299 -0.0299 -0.0060 -0.0060 0.1134 0.1134 0.1848 0.1848 0.5184 0.5184 0.5238 0.5238 0.8516 0.8516 0.8760 0.8760 0.9461 0.9461 0.9779 0.9779 2.5071 2.5071 2.5488 2.5488 k = 0.4688 0.2706 0.3062 ( 8457 PWs) bands (ev): -13.7393 -13.7393 -13.2093 -13.2093 -13.0934 -13.0934 -13.0902 -13.0902 -12.9892 -12.9892 -12.9498 -12.9498 -11.0044 -11.0044 -10.9999 -10.9999 -4.6211 -4.6211 -4.5884 -4.5884 -4.1575 -4.1575 -3.5818 -3.5818 -3.5075 -3.5075 -3.1743 -3.1743 -2.6936 -2.6936 -2.0401 -2.0401 -1.9143 -1.9143 -1.0269 -1.0269 -0.9728 -0.9728 -0.9277 -0.9277 -0.5082 -0.5082 -0.4485 -0.4485 -0.2619 -0.2619 -0.1816 -0.1816 -0.1194 -0.1194 -0.0356 -0.0356 0.0006 0.0006 0.1119 0.1119 0.1937 0.1937 0.5222 0.5222 0.5319 0.5319 0.8461 0.8461 0.8736 0.8736 0.9389 0.9389 0.9738 0.9738 2.4926 2.4926 2.5509 2.5509 k = 0.4625 0.2670 0.3266 ( 8455 PWs) bands (ev): -13.7374 -13.7374 -13.2102 -13.2102 -13.0931 -13.0931 -13.0887 -13.0887 -12.9909 -12.9909 -12.9515 -12.9515 -11.0044 -11.0044 -11.0002 -11.0002 -4.6261 -4.6261 -4.5882 -4.5882 -4.1501 -4.1501 -3.5805 -3.5805 -3.5093 -3.5093 -3.1732 -3.1732 -2.6741 -2.6741 -2.0413 -2.0413 -1.9144 -1.9144 -1.0235 -1.0235 -0.9711 -0.9711 -0.9224 -0.9224 -0.5301 -0.5301 -0.4606 -0.4606 -0.2794 -0.2794 -0.1830 -0.1830 -0.1067 -0.1067 -0.0445 -0.0445 0.0066 0.0066 0.1101 0.1101 0.2046 0.2046 0.5268 0.5268 0.5412 0.5412 0.8392 0.8392 0.8713 0.8713 0.9298 0.9298 0.9693 0.9693 2.4747 2.4747 2.5543 2.5543 k = 0.4562 0.2634 0.3470 ( 8457 PWs) bands (ev): -13.7351 -13.7351 -13.2113 -13.2113 -13.0928 -13.0928 -13.0870 -13.0870 -12.9929 -12.9929 -12.9535 -12.9535 -11.0045 -11.0045 -11.0005 -11.0005 -4.6325 -4.6325 -4.5872 -4.5872 -4.1416 -4.1416 -3.5789 -3.5789 -3.5113 -3.5113 -3.1719 -3.1719 -2.6519 -2.6519 -2.0428 -2.0428 -1.9148 -1.9148 -1.0194 -1.0194 -0.9688 -0.9688 -0.9159 -0.9159 -0.5540 -0.5540 -0.4770 -0.4770 -0.2938 -0.2938 -0.1844 -0.1844 -0.0949 -0.0949 -0.0546 -0.0546 0.0108 0.0108 0.1086 0.1086 0.2168 0.2168 0.5324 0.5324 0.5513 0.5513 0.8308 0.8308 0.8691 0.8691 0.9189 0.9189 0.9645 0.9645 2.4540 2.4540 2.5586 2.5586 k = 0.4500 0.2598 0.3674 ( 8441 PWs) bands (ev): -13.7327 -13.7327 -13.2124 -13.2124 -13.0924 -13.0924 -13.0851 -13.0851 -12.9952 -12.9952 -12.9555 -12.9555 -11.0045 -11.0045 -11.0008 -11.0008 -4.6401 -4.6401 -4.5856 -4.5856 -4.1320 -4.1320 -3.5770 -3.5770 -3.5133 -3.5133 -3.1704 -3.1704 -2.6276 -2.6276 -2.0448 -2.0448 -1.9154 -1.9154 -1.0147 -1.0147 -0.9657 -0.9657 -0.9084 -0.9084 -0.5791 -0.5791 -0.4980 -0.4980 -0.3040 -0.3040 -0.1858 -0.1858 -0.0885 -0.0885 -0.0611 -0.0611 0.0129 0.0129 0.1081 0.1081 0.2295 0.2295 0.5391 0.5391 0.5619 0.5619 0.8212 0.8212 0.8669 0.8669 0.9062 0.9062 0.9595 0.9595 2.4309 2.4309 2.5637 2.5637 k = 0.4437 0.2562 0.3878 ( 8444 PWs) bands (ev): -13.7300 -13.7300 -13.2135 -13.2135 -13.0920 -13.0920 -13.0830 -13.0830 -12.9979 -12.9979 -12.9576 -12.9576 -11.0046 -11.0046 -11.0011 -11.0011 -4.6486 -4.6486 -4.5834 -4.5834 -4.1216 -4.1216 -3.5749 -3.5749 -3.5155 -3.5155 -3.1688 -3.1688 -2.6015 -2.6015 -2.0472 -2.0472 -1.9164 -1.9164 -1.0093 -1.0093 -0.9617 -0.9617 -0.8997 -0.8997 -0.6049 -0.6049 -0.5233 -0.5233 -0.3105 -0.3105 -0.1873 -0.1873 -0.0948 -0.0948 -0.0574 -0.0574 0.0129 0.0129 0.1092 0.1092 0.2421 0.2421 0.5470 0.5470 0.5728 0.5728 0.8107 0.8107 0.8645 0.8645 0.8924 0.8924 0.9541 0.9541 2.4059 2.4059 2.5696 2.5696 k = 0.4375 0.2526 0.4082 ( 8442 PWs) bands (ev): -13.7272 -13.7272 -13.2147 -13.2147 -13.0915 -13.0915 -13.0809 -13.0809 -13.0008 -13.0008 -12.9597 -12.9597 -11.0048 -11.0048 -11.0014 -11.0014 -4.6577 -4.6577 -4.5808 -4.5808 -4.1104 -4.1104 -3.5725 -3.5725 -3.5176 -3.5176 -3.1670 -3.1670 -2.5742 -2.5742 -2.0500 -2.0500 -1.9177 -1.9177 -1.0034 -1.0034 -0.9568 -0.9568 -0.8898 -0.8898 -0.6309 -0.6309 -0.5517 -0.5517 -0.3141 -0.3141 -0.1888 -0.1888 -0.1080 -0.1080 -0.0497 -0.0497 0.0117 0.0117 0.1123 0.1123 0.2539 0.2539 0.5560 0.5560 0.5836 0.5836 0.7996 0.7996 0.8610 0.8610 0.8785 0.8785 0.9485 0.9485 2.3793 2.3793 2.5762 2.5762 k = 0.4313 0.2490 0.4287 ( 8438 PWs) bands (ev): -13.7243 -13.7243 -13.2158 -13.2158 -13.0911 -13.0911 -13.0788 -13.0788 -13.0039 -13.0039 -12.9618 -12.9618 -11.0050 -11.0050 -11.0017 -11.0017 -4.6674 -4.6674 -4.5778 -4.5778 -4.0987 -4.0987 -3.5699 -3.5699 -3.5198 -3.5198 -3.1651 -3.1651 -2.5462 -2.5462 -2.0532 -2.0532 -1.9196 -1.9196 -0.9969 -0.9969 -0.9509 -0.9509 -0.8788 -0.8788 -0.6568 -0.6568 -0.5821 -0.5821 -0.3159 -0.3159 -0.1905 -0.1905 -0.1228 -0.1228 -0.0446 -0.0446 0.0110 0.0110 0.1175 0.1175 0.2648 0.2648 0.5661 0.5661 0.5941 0.5941 0.7880 0.7880 0.8523 0.8523 0.8688 0.8688 0.9426 0.9426 2.3517 2.3517 2.5834 2.5834 k = 0.4250 0.2454 0.4491 ( 8442 PWs) bands (ev): -13.7214 -13.7214 -13.2169 -13.2169 -13.0906 -13.0906 -13.0767 -13.0767 -13.0072 -13.0072 -12.9639 -12.9639 -11.0053 -11.0053 -11.0018 -11.0018 -4.6773 -4.6773 -4.5745 -4.5745 -4.0867 -4.0867 -3.5671 -3.5671 -3.5219 -3.5219 -3.1630 -3.1630 -2.5181 -2.5181 -2.0565 -2.0565 -1.9219 -1.9219 -0.9899 -0.9899 -0.9439 -0.9439 -0.8667 -0.8667 -0.6822 -0.6822 -0.6134 -0.6134 -0.3171 -0.3171 -0.1924 -0.1924 -0.1373 -0.1373 -0.0449 -0.0449 0.0129 0.0129 0.1244 0.1244 0.2746 0.2746 0.5770 0.5770 0.6039 0.6039 0.7763 0.7763 0.8370 0.8370 0.8651 0.8651 0.9365 0.9365 2.3234 2.3234 2.5912 2.5912 k = 0.4188 0.2418 0.4695 ( 8448 PWs) bands (ev): -13.7185 -13.7185 -13.2179 -13.2179 -13.0901 -13.0901 -13.0746 -13.0746 -13.0105 -13.0105 -12.9659 -12.9659 -11.0056 -11.0056 -11.0020 -11.0020 -4.6874 -4.6874 -4.5710 -4.5710 -4.0746 -4.0746 -3.5641 -3.5641 -3.5239 -3.5239 -3.1609 -3.1609 -2.4905 -2.4905 -2.0599 -2.0599 -1.9249 -1.9249 -0.9826 -0.9826 -0.9359 -0.9359 -0.8536 -0.8536 -0.7066 -0.7066 -0.6449 -0.6449 -0.3186 -0.3186 -0.1946 -0.1946 -0.1504 -0.1504 -0.0509 -0.0509 0.0179 0.0179 0.1328 0.1328 0.2832 0.2832 0.5885 0.5885 0.6127 0.6127 0.7651 0.7651 0.8195 0.8195 0.8635 0.8635 0.9302 0.9302 2.2949 2.2949 2.5995 2.5995 k = 0.4125 0.2382 0.4899 ( 8454 PWs) bands (ev): -13.7157 -13.7157 -13.2188 -13.2188 -13.0896 -13.0896 -13.0726 -13.0726 -13.0138 -13.0138 -12.9679 -12.9679 -11.0060 -11.0060 -11.0020 -11.0020 -4.6974 -4.6974 -4.5672 -4.5672 -4.0627 -4.0627 -3.5610 -3.5610 -3.5259 -3.5259 -3.1587 -3.1587 -2.4641 -2.4641 -2.0631 -2.0631 -1.9285 -1.9285 -0.9751 -0.9751 -0.9271 -0.9271 -0.8399 -0.8399 -0.7293 -0.7293 -0.6757 -0.6757 -0.3214 -0.3214 -0.1972 -0.1972 -0.1614 -0.1614 -0.0611 -0.0611 0.0245 0.0245 0.1425 0.1425 0.2907 0.2907 0.6001 0.6001 0.6202 0.6202 0.7546 0.7546 0.8016 0.8016 0.8626 0.8626 0.9237 0.9237 2.2666 2.2666 2.6083 2.6083 k = 0.4062 0.2345 0.5103 ( 8448 PWs) bands (ev): -13.7130 -13.7130 -13.2195 -13.2195 -13.0892 -13.0892 -13.0708 -13.0708 -13.0168 -13.0168 -12.9698 -12.9698 -11.0065 -11.0065 -11.0019 -11.0019 -4.7071 -4.7071 -4.5633 -4.5633 -4.0513 -4.0513 -3.5577 -3.5577 -3.5278 -3.5278 -3.1566 -3.1566 -2.4396 -2.4396 -2.0657 -2.0657 -1.9326 -1.9326 -0.9679 -0.9679 -0.9176 -0.9176 -0.8264 -0.8264 -0.7496 -0.7496 -0.7045 -0.7045 -0.3260 -0.3260 -0.2002 -0.2002 -0.1697 -0.1697 -0.0738 -0.0738 0.0314 0.0314 0.1532 0.1532 0.2971 0.2971 0.6111 0.6111 0.6258 0.6258 0.7456 0.7456 0.7844 0.7844 0.8622 0.8622 0.9172 0.9172 2.2389 2.2389 2.6176 2.6176 k = 0.4000 0.2309 0.5307 ( 8448 PWs) bands (ev): -13.7106 -13.7106 -13.2200 -13.2200 -13.0888 -13.0888 -13.0692 -13.0692 -13.0196 -13.0196 -12.9717 -12.9717 -11.0070 -11.0070 -11.0018 -11.0018 -4.7165 -4.7165 -4.5592 -4.5592 -4.0405 -4.0405 -3.5544 -3.5544 -3.5295 -3.5295 -3.1545 -3.1545 -2.4177 -2.4177 -2.0676 -2.0676 -1.9370 -1.9370 -0.9616 -0.9616 -0.9078 -0.9078 -0.8159 -0.8159 -0.7653 -0.7653 -0.7293 -0.7293 -0.3327 -0.3327 -0.2034 -0.2034 -0.1752 -0.1752 -0.0879 -0.0879 0.0380 0.0380 0.1647 0.1647 0.3028 0.3028 0.6199 0.6199 0.6294 0.6294 0.7386 0.7386 0.7692 0.7692 0.8621 0.8621 0.9109 0.9109 2.2122 2.2122 2.6272 2.6272 k = 0.3937 0.2273 0.5511 ( 8460 PWs) bands (ev): -13.7085 -13.7085 -13.2203 -13.2203 -13.0885 -13.0885 -13.0678 -13.0678 -13.0219 -13.0219 -12.9736 -12.9736 -11.0076 -11.0076 -11.0016 -11.0016 -4.7255 -4.7255 -4.5550 -4.5550 -4.0308 -4.0308 -3.5512 -3.5512 -3.5312 -3.5312 -3.1525 -3.1525 -2.3990 -2.3990 -2.0687 -2.0687 -1.9416 -1.9416 -0.9571 -0.9571 -0.8980 -0.8980 -0.8157 -0.8157 -0.7726 -0.7726 -0.7449 -0.7449 -0.3413 -0.3413 -0.2064 -0.2064 -0.1787 -0.1787 -0.1029 -0.1029 0.0440 0.0440 0.1768 0.1768 0.3077 0.3077 0.6240 0.6240 0.6317 0.6317 0.7342 0.7342 0.7576 0.7576 0.8622 0.8622 0.9048 0.9048 2.1869 2.1869 2.6371 2.6371 k = 0.3875 0.2237 0.5715 ( 8470 PWs) bands (ev): -13.7068 -13.7068 -13.2203 -13.2203 -13.0883 -13.0883 -13.0665 -13.0665 -13.0236 -13.0236 -12.9754 -12.9754 -11.0081 -11.0081 -11.0013 -11.0013 -4.7338 -4.7338 -4.5507 -4.5507 -4.0224 -4.0224 -3.5481 -3.5481 -3.5326 -3.5326 -3.1507 -3.1507 -2.3841 -2.3841 -2.0689 -2.0689 -1.9460 -1.9460 -0.9556 -0.9556 -0.8887 -0.8887 -0.8288 -0.8288 -0.7759 -0.7759 -0.7427 -0.7427 -0.3510 -0.3510 -0.2092 -0.2092 -0.1810 -0.1810 -0.1179 -0.1179 0.0493 0.0493 0.1893 0.1893 0.3119 0.3119 0.6222 0.6222 0.6320 0.6320 0.7330 0.7330 0.7510 0.7510 0.8623 0.8623 0.8994 0.8994 2.1633 2.1633 2.6473 2.6473 k = 0.3812 0.2201 0.5920 ( 8468 PWs) bands (ev): -13.7055 -13.7055 -13.2201 -13.2201 -13.0883 -13.0883 -13.0655 -13.0655 -13.0249 -13.0249 -12.9772 -12.9772 -11.0087 -11.0087 -11.0010 -11.0010 -4.7414 -4.7414 -4.5464 -4.5464 -4.0155 -4.0154 -3.5454 -3.5454 -3.5338 -3.5338 -3.1492 -3.1492 -2.3730 -2.3730 -2.0690 -2.0690 -1.9496 -1.9496 -0.9579 -0.9579 -0.8805 -0.8805 -0.8476 -0.8476 -0.7760 -0.7760 -0.7278 -0.7278 -0.3610 -0.3610 -0.2117 -0.2117 -0.1831 -0.1831 -0.1325 -0.1325 0.0538 0.0538 0.2022 0.2022 0.3157 0.3157 0.6166 0.6166 0.6279 0.6279 0.7356 0.7356 0.7496 0.7496 0.8620 0.8620 0.8950 0.8950 2.1418 2.1418 2.6576 2.6576 k = 0.3750 0.2165 0.6124 ( 8488 PWs) bands (ev): -13.7048 -13.7048 -13.2195 -13.2195 -13.0883 -13.0883 -13.0646 -13.0646 -13.0255 -13.0255 -12.9790 -12.9790 -11.0092 -11.0092 -11.0006 -11.0006 -4.7482 -4.7482 -4.5420 -4.5420 -4.0103 -4.0103 -3.5434 -3.5434 -3.5344 -3.5344 -3.1479 -3.1479 -2.3658 -2.3658 -2.0696 -2.0696 -1.9518 -1.9518 -0.9639 -0.9639 -0.8779 -0.8779 -0.8628 -0.8628 -0.7698 -0.7698 -0.7084 -0.7084 -0.3705 -0.3705 -0.2143 -0.2143 -0.1863 -0.1863 -0.1455 -0.1455 0.0577 0.0577 0.2151 0.2151 0.3190 0.3190 0.6083 0.6083 0.6201 0.6201 0.7414 0.7414 0.7524 0.7524 0.8609 0.8609 0.8923 0.8923 2.1226 2.1226 2.6681 2.6681 k = 0.6250-0.0722 0.4082 ( 8488 PWs) bands (ev): -13.7048 -13.7048 -13.2195 -13.2195 -13.0883 -13.0883 -13.0646 -13.0646 -13.0255 -13.0255 -12.9790 -12.9790 -11.0092 -11.0092 -11.0006 -11.0006 -4.7482 -4.7482 -4.5420 -4.5420 -4.0103 -4.0103 -3.5434 -3.5434 -3.5344 -3.5344 -3.1479 -3.1479 -2.3658 -2.3658 -2.0696 -2.0696 -1.9518 -1.9518 -0.9639 -0.9639 -0.8779 -0.8779 -0.8628 -0.8628 -0.7698 -0.7698 -0.7084 -0.7084 -0.3705 -0.3705 -0.2143 -0.2143 -0.1863 -0.1863 -0.1455 -0.1455 0.0577 0.0577 0.2151 0.2151 0.3190 0.3190 0.6083 0.6083 0.6201 0.6201 0.7414 0.7414 0.7524 0.7524 0.8609 0.8609 0.8923 0.8923 2.1226 2.1226 2.6681 2.6681 k = 0.6146-0.0902 0.4082 ( 8472 PWs) bands (ev): -13.7042 -13.7042 -13.2180 -13.2180 -13.0887 -13.0887 -13.0629 -13.0629 -13.0262 -13.0262 -12.9821 -12.9821 -11.0101 -11.0101 -11.0000 -11.0000 -4.7586 -4.7586 -4.5348 -4.5348 -4.0039 -4.0039 -3.5411 -3.5411 -3.5346 -3.5346 -3.1462 -3.1462 -2.3571 -2.3571 -2.0736 -2.0736 -1.9525 -1.9525 -0.9761 -0.9761 -0.8923 -0.8923 -0.8703 -0.8703 -0.7533 -0.7533 -0.6723 -0.6723 -0.3850 -0.3850 -0.2187 -0.2187 -0.1979 -0.1979 -0.1607 -0.1607 0.0633 0.0633 0.2363 0.2363 0.3240 0.3240 0.5919 0.5919 0.6053 0.6053 0.7529 0.7529 0.7609 0.7609 0.8582 0.8582 0.8898 0.8898 2.0931 2.0931 2.6856 2.6856 k = 0.6042-0.1083 0.4082 ( 8448 PWs) bands (ev): -13.7039 -13.7039 -13.2162 -13.2162 -13.0892 -13.0892 -13.0607 -13.0607 -13.0268 -13.0268 -12.9854 -12.9854 -11.0108 -11.0108 -10.9993 -10.9993 -4.7684 -4.7684 -4.5276 -4.5276 -3.9984 -3.9984 -3.5391 -3.5391 -3.5345 -3.5345 -3.1447 -3.1447 -2.3496 -2.3496 -2.0808 -2.0808 -1.9504 -1.9504 -0.9872 -0.9872 -0.9085 -0.9085 -0.8757 -0.8757 -0.7357 -0.7357 -0.6338 -0.6338 -0.3986 -0.3986 -0.2239 -0.2239 -0.2182 -0.2182 -0.1671 -0.1671 0.0684 0.0684 0.2566 0.2566 0.3288 0.3288 0.5748 0.5748 0.5904 0.5904 0.7642 0.7642 0.7701 0.7701 0.8555 0.8555 0.8880 0.8880 2.0649 2.0649 2.7028 2.7028 k = 0.5938-0.1263 0.4082 ( 8452 PWs) bands (ev): -13.7039 -13.7039 -13.2143 -13.2143 -13.0900 -13.0900 -13.0581 -13.0581 -13.0274 -13.0274 -12.9888 -12.9888 -11.0115 -11.0115 -10.9987 -10.9987 -4.7777 -4.7777 -4.5206 -4.5206 -3.9938 -3.9938 -3.5377 -3.5377 -3.5338 -3.5338 -3.1433 -3.1433 -2.3434 -2.3434 -2.0900 -2.0900 -1.9464 -1.9464 -0.9975 -0.9975 -0.9242 -0.9242 -0.8803 -0.8803 -0.7168 -0.7168 -0.5945 -0.5945 -0.4113 -0.4113 -0.2448 -0.2448 -0.2269 -0.2269 -0.1699 -0.1699 0.0731 0.0731 0.2758 0.2758 0.3336 0.3336 0.5572 0.5572 0.5759 0.5759 0.7741 0.7741 0.7798 0.7798 0.8528 0.8528 0.8871 0.8871 2.0382 2.0382 2.7196 2.7196 k = 0.5833-0.1443 0.4082 ( 8462 PWs) bands (ev): -13.7041 -13.7041 -13.2122 -13.2122 -13.0908 -13.0908 -13.0553 -13.0553 -13.0280 -13.0280 -12.9923 -12.9923 -11.0122 -11.0122 -10.9982 -10.9982 -4.7862 -4.7862 -4.5140 -4.5140 -3.9899 -3.9899 -3.5370 -3.5370 -3.5325 -3.5325 -3.1420 -3.1420 -2.3387 -2.3387 -2.0997 -2.0997 -1.9413 -1.9413 -1.0068 -1.0068 -0.9386 -0.9386 -0.8844 -0.8844 -0.6970 -0.6970 -0.5550 -0.5550 -0.4230 -0.4230 -0.2714 -0.2714 -0.2314 -0.2314 -0.1719 -0.1719 0.0773 0.0773 0.2938 0.2938 0.3383 0.3383 0.5398 0.5398 0.5621 0.5621 0.7822 0.7822 0.7901 0.7901 0.8502 0.8502 0.8869 0.8869 2.0133 2.0133 2.7355 2.7355 k = 0.5729-0.1624 0.4082 ( 8454 PWs) bands (ev): -13.7044 -13.7044 -13.2101 -13.2101 -13.0917 -13.0917 -13.0522 -13.0522 -13.0284 -13.0284 -12.9959 -12.9959 -11.0128 -11.0128 -10.9976 -10.9976 -4.7939 -4.7939 -4.5078 -4.5078 -3.9868 -3.9868 -3.5365 -3.5365 -3.5310 -3.5310 -3.1409 -3.1409 -2.3355 -2.3355 -2.1089 -2.1089 -1.9359 -1.9359 -1.0154 -1.0154 -0.9513 -0.9513 -0.8881 -0.8881 -0.6761 -0.6761 -0.5161 -0.5161 -0.4335 -0.4335 -0.2986 -0.2986 -0.2358 -0.2358 -0.1741 -0.1741 0.0810 0.0810 0.3102 0.3102 0.3428 0.3428 0.5228 0.5228 0.5490 0.5490 0.7886 0.7886 0.8001 0.8001 0.8477 0.8477 0.8876 0.8876 1.9905 1.9905 2.7504 2.7504 k = 0.5625-0.1804 0.4082 ( 8442 PWs) bands (ev): -13.7047 -13.7047 -13.2081 -13.2081 -13.0925 -13.0925 -13.0489 -13.0489 -13.0288 -13.0288 -12.9997 -12.9997 -11.0133 -11.0133 -10.9972 -10.9972 -4.8008 -4.8008 -4.5021 -4.5021 -3.9842 -3.9842 -3.5362 -3.5362 -3.5295 -3.5295 -3.1400 -3.1400 -2.3337 -2.3337 -2.1171 -2.1171 -1.9306 -1.9306 -1.0231 -1.0231 -0.9621 -0.9621 -0.8914 -0.8914 -0.6544 -0.6544 -0.4786 -0.4786 -0.4429 -0.4429 -0.3258 -0.3258 -0.2403 -0.2403 -0.1766 -0.1766 0.0842 0.0842 0.3249 0.3249 0.3472 0.3472 0.5069 0.5069 0.5369 0.5369 0.7937 0.7937 0.8093 0.8093 0.8454 0.8454 0.8889 0.8889 1.9700 1.9700 2.7639 2.7639 k = 0.5521-0.1985 0.4082 ( 8450 PWs) bands (ev): -13.7051 -13.7051 -13.2063 -13.2063 -13.0933 -13.0933 -13.0456 -13.0456 -13.0290 -13.0290 -13.0035 -13.0035 -11.0137 -11.0137 -10.9968 -10.9968 -4.8067 -4.8067 -4.4972 -4.4972 -3.9822 -3.9822 -3.5359 -3.5359 -3.5282 -3.5282 -3.1391 -3.1391 -2.3332 -2.3332 -2.1238 -2.1238 -1.9258 -1.9258 -1.0299 -1.0299 -0.9711 -0.9711 -0.8942 -0.8942 -0.6320 -0.6320 -0.4522 -0.4522 -0.4419 -0.4419 -0.3528 -0.3528 -0.2454 -0.2454 -0.1795 -0.1795 0.0868 0.0868 0.3377 0.3377 0.3513 0.3513 0.4924 0.4924 0.5259 0.5259 0.7976 0.7976 0.8174 0.8174 0.8433 0.8433 0.8906 0.8906 1.9522 1.9522 2.7758 2.7758 k = 0.5417-0.2165 0.4082 ( 8464 PWs) bands (ev): -13.7055 -13.7055 -13.2046 -13.2046 -13.0940 -13.0940 -13.0422 -13.0422 -13.0291 -13.0291 -13.0073 -13.0073 -11.0141 -11.0141 -10.9964 -10.9964 -4.8117 -4.8117 -4.4930 -4.4930 -3.9806 -3.9806 -3.5356 -3.5356 -3.5271 -3.5271 -3.1384 -3.1384 -2.3337 -2.3337 -2.1289 -2.1289 -1.9217 -1.9217 -1.0358 -1.0358 -0.9782 -0.9782 -0.8965 -0.8965 -0.6090 -0.6090 -0.4591 -0.4591 -0.4093 -0.4093 -0.3789 -0.3789 -0.2512 -0.2512 -0.1828 -0.1828 0.0890 0.0890 0.3484 0.3484 0.3550 0.3550 0.4798 0.4798 0.5163 0.5163 0.8004 0.8004 0.8240 0.8240 0.8416 0.8416 0.8925 0.8925 1.9372 1.9372 2.7858 2.7858 k = 0.5312-0.2345 0.4082 ( 8444 PWs) bands (ev): -13.7059 -13.7059 -13.2033 -13.2033 -13.0946 -13.0946 -13.0391 -13.0391 -13.0288 -13.0288 -13.0112 -13.0112 -11.0144 -11.0144 -10.9962 -10.9962 -4.8155 -4.8155 -4.4896 -4.4896 -3.9794 -3.9794 -3.5354 -3.5354 -3.5262 -3.5262 -3.1379 -3.1379 -2.3346 -2.3346 -2.1326 -2.1326 -1.9184 -1.9184 -1.0406 -1.0406 -0.9836 -0.9836 -0.8984 -0.8984 -0.5858 -0.5858 -0.4662 -0.4662 -0.4035 -0.4035 -0.3792 -0.3792 -0.2581 -0.2581 -0.1861 -0.1861 0.0906 0.0906 0.3569 0.3569 0.3581 0.3581 0.4697 0.4697 0.5083 0.5083 0.8024 0.8024 0.8290 0.8290 0.8405 0.8405 0.8943 0.8943 1.9253 1.9253 2.7938 2.7938 k = 0.5208-0.2526 0.4082 ( 8436 PWs) bands (ev): -13.7061 -13.7061 -13.2023 -13.2023 -13.0950 -13.0950 -13.0366 -13.0366 -13.0278 -13.0278 -13.0150 -13.0150 -11.0146 -11.0146 -10.9960 -10.9960 -4.8184 -4.8184 -4.4871 -4.4871 -3.9786 -3.9786 -3.5351 -3.5351 -3.5255 -3.5255 -3.1375 -3.1375 -2.3356 -2.3356 -2.1351 -2.1351 -1.9159 -1.9159 -1.0441 -1.0441 -0.9873 -0.9873 -0.8997 -0.8997 -0.5630 -0.5630 -0.4741 -0.4741 -0.4243 -0.4243 -0.3534 -0.3534 -0.2663 -0.2663 -0.1890 -0.1890 0.0917 0.0917 0.3604 0.3604 0.3631 0.3631 0.4622 0.4622 0.5022 0.5022 0.8037 0.8037 0.8322 0.8322 0.8402 0.8402 0.8957 0.8957 1.9167 1.9167 2.7997 2.7997 k = 0.5104-0.2706 0.4082 ( 8458 PWs) bands (ev): -13.7063 -13.7063 -13.2017 -13.2017 -13.0953 -13.0953 -13.0352 -13.0352 -13.0259 -13.0259 -13.0185 -13.0185 -11.0147 -11.0147 -10.9958 -10.9958 -4.8201 -4.8201 -4.4857 -4.4857 -3.9781 -3.9781 -3.5350 -3.5350 -3.5251 -3.5251 -3.1373 -3.1373 -2.3363 -2.3363 -2.1365 -2.1365 -1.9144 -1.9144 -1.0462 -1.0462 -0.9895 -0.9895 -0.9005 -0.9005 -0.5425 -0.5425 -0.4843 -0.4843 -0.4382 -0.4382 -0.3336 -0.3336 -0.2751 -0.2751 -0.1910 -0.1910 0.0924 0.0924 0.3618 0.3618 0.3669 0.3669 0.4576 0.4576 0.4985 0.4985 0.8045 0.8045 0.8335 0.8335 0.8406 0.8406 0.8967 0.8967 1.9114 1.9114 2.8032 2.8032 k = 0.5000-0.2887 0.4082 ( 8480 PWs) bands (ev): -13.7064 -13.7064 -13.2015 -13.2015 -13.0954 -13.0954 -13.0347 -13.0347 -13.0242 -13.0242 -13.0208 -13.0208 -11.0148 -11.0148 -10.9958 -10.9958 -4.8206 -4.8206 -4.4852 -4.4852 -3.9780 -3.9780 -3.5350 -3.5350 -3.5250 -3.5250 -3.1372 -3.1372 -2.3366 -2.3366 -2.1370 -2.1370 -1.9139 -1.9139 -1.0469 -1.0469 -0.9902 -0.9902 -0.9008 -0.9008 -0.5321 -0.5321 -0.4914 -0.4914 -0.4429 -0.4429 -0.3251 -0.3251 -0.2798 -0.2798 -0.1917 -0.1917 0.0926 0.0926 0.3623 0.3623 0.3681 0.3681 0.4561 0.4561 0.4972 0.4972 0.8047 0.8047 0.8337 0.8337 0.8408 0.8408 0.8970 0.8970 1.9097 1.9097 2.8044 2.8044 Writing output data file PtxNCl3x2.save init_run : 0.49s CPU 0.68s WALL ( 1 calls) electrons : 200.73s CPU 203.38s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.05s CPU 0.11s WALL ( 1 calls) Called by electrons: c_bands : 200.72s CPU 203.37s 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 : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.13s CPU 0.18s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.07s WALL ( 219 calls) cegterg : 180.24s CPU 182.25s WALL ( 219 calls) Called by sum_band: Called by *egterg: h_psi : 128.90s CPU 131.21s WALL ( 2628 calls) s_psi : 8.28s CPU 8.16s WALL ( 2628 calls) g_psi : 0.18s CPU 0.19s WALL ( 2190 calls) cdiaghg : 41.02s CPU 41.15s WALL ( 2409 calls) cegterg:over : 8.52s CPU 8.52s WALL ( 2190 calls) cegterg:upda : 4.94s CPU 4.88s WALL ( 2190 calls) cegterg:last : 3.64s CPU 3.62s WALL ( 657 calls) cdiaghg:chol : 1.74s CPU 1.84s WALL ( 2409 calls) cdiaghg:inve : 1.28s CPU 1.27s WALL ( 2409 calls) cdiaghg:para : 2.32s CPU 2.43s WALL ( 4818 calls) Called by h_psi: h_psi:vloc : 110.96s CPU 113.17s WALL ( 2628 calls) h_psi:vnl : 17.77s CPU 17.86s WALL ( 2628 calls) add_vuspsi : 9.40s CPU 9.42s WALL ( 2628 calls) General routines calbec : 8.36s CPU 8.43s WALL ( 2628 calls) fft : 0.02s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 103.58s CPU 105.76s WALL ( 639780 calls) interpolate : 0.00s CPU 0.01s WALL ( 4 calls) davcio : 0.16s CPU 0.17s WALL ( 438 calls) Parallel routines fft_scatter : 65.62s CPU 67.19s WALL ( 639803 calls) PWSCF : 3m54.44s CPU 4m17.57s WALL This run was terminated on: 8:23:42 31Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=