Program PWSCF v.5.3.0 (svn rev. 11974) starts on 31Jan2017 at 8:20:44 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: ./SnxNCl3x2.save/ file Sn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 4D 4D 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 55 33 9 2308 1059 154 Max 56 34 10 2312 1077 159 Sum 4009 2395 661 166311 76849 11191 bravais-lattice index = 14 lattice parameter (alat) = 13.4292 a.u. unit-cell volume = 1712.5163 (a.u.)^3 number of atoms/cell = 9 number of atomic types = 3 number of electrons = 66.00 number of Kohn-Sham states= 80 kinetic-energy cutoff = 48.0000 Ry charge density cutoff = 321.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 13.429193 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 Sn read from file: /users/gautes/Pseudo/Sn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 9499e19b89e678f7f9f46ad7de03aa82 Pseudo is Ultrasoft + core correction, Zval = 14.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 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) Sn 14.00 118.71000 Sn( 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 0.3308823), wk = 0.0045662 k( 84) = ( 0.1544118 0.1544118 0.3088235), wk = 0.0045662 k( 85) = ( 0.1433823 0.1433823 0.2867647), wk = 0.0045662 k( 86) = ( 0.1323529 0.1323529 0.2647059), wk = 0.0045662 k( 87) = ( 0.1213235 0.1213235 0.2426471), wk = 0.0045662 k( 88) = ( 0.1102941 0.1102941 0.2205882), wk = 0.0045662 k( 89) = ( 0.0992647 0.0992647 0.1985294), wk = 0.0045662 k( 90) = ( 0.0882353 0.0882353 0.1764706), wk = 0.0045662 k( 91) = ( 0.0772059 0.0772059 0.1544118), wk = 0.0045662 k( 92) = ( 0.0661765 0.0661765 0.1323529), wk = 0.0045662 k( 93) = ( 0.0551471 0.0551471 0.1102941), wk = 0.0045662 k( 94) = ( 0.0441177 0.0441176 0.0882353), wk = 0.0045662 k( 95) = ( 0.0330882 0.0330882 0.0661765), wk = 0.0045662 k( 96) = ( 0.0220588 0.0220588 0.0441177), 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 0.3913043 0.6086957), wk = 0.0045662 k( 176) = ( 0.5000000 0.4021739 0.5978261), wk = 0.0045662 k( 177) = ( 0.5000000 0.4130435 0.5869565), wk = 0.0045662 k( 178) = ( 0.5000000 0.4239130 0.5760870), wk = 0.0045662 k( 179) = ( 0.5000000 0.4347826 0.5652174), wk = 0.0045662 k( 180) = ( 0.5000000 0.4456522 0.5543478), wk = 0.0045662 k( 181) = ( 0.5000000 0.4565217 0.5434783), wk = 0.0045662 k( 182) = ( 0.5000000 0.4673913 0.5326087), wk = 0.0045662 k( 183) = ( 0.5000000 0.4782609 0.5217391), wk = 0.0045662 k( 184) = ( 0.5000000 0.4891304 0.5108696), wk = 0.0045662 k( 185) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0045662 k( 186) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0045662 k( 187) = ( 0.4937500 0.4937500 0.5125000), wk = 0.0045662 k( 188) = ( 0.4875000 0.4875000 0.5250000), wk = 0.0045662 k( 189) = ( 0.4812500 0.4812500 0.5375000), wk = 0.0045662 k( 190) = ( 0.4750000 0.4750000 0.5500000), wk = 0.0045662 k( 191) = ( 0.4687500 0.4687500 0.5625000), wk = 0.0045662 k( 192) = ( 0.4625000 0.4625000 0.5750000), wk = 0.0045662 k( 193) = ( 0.4562500 0.4562500 0.5875000), wk = 0.0045662 k( 194) = ( 0.4500000 0.4500000 0.6000000), wk = 0.0045662 k( 195) = ( 0.4437500 0.4437500 0.6125000), wk = 0.0045662 k( 196) = ( 0.4375000 0.4375000 0.6250000), wk = 0.0045662 k( 197) = ( 0.4312500 0.4312500 0.6375000), wk = 0.0045662 k( 198) = ( 0.4250000 0.4250000 0.6500000), wk = 0.0045662 k( 199) = ( 0.4187500 0.4187500 0.6625000), wk = 0.0045662 k( 200) = ( 0.4125000 0.4125000 0.6750000), wk = 0.0045662 k( 201) = ( 0.4062500 0.4062500 0.6875000), wk = 0.0045662 k( 202) = ( 0.4000000 0.4000000 0.7000000), wk = 0.0045662 k( 203) = ( 0.3937500 0.3937500 0.7125000), wk = 0.0045662 k( 204) = ( 0.3875000 0.3875000 0.7250000), wk = 0.0045662 k( 205) = ( 0.3812500 0.3812500 0.7375000), wk = 0.0045662 k( 206) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0045662 k( 207) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0045662 k( 208) = ( 0.6145833 0.2291667 0.6145833), wk = 0.0045662 k( 209) = ( 0.6041667 0.2083333 0.6041667), wk = 0.0045662 k( 210) = ( 0.5937500 0.1875000 0.5937500), wk = 0.0045662 k( 211) = ( 0.5833333 0.1666667 0.5833333), wk = 0.0045662 k( 212) = ( 0.5729167 0.1458333 0.5729167), wk = 0.0045662 k( 213) = ( 0.5625000 0.1250000 0.5625000), wk = 0.0045662 k( 214) = ( 0.5520833 0.1041667 0.5520833), wk = 0.0045662 k( 215) = ( 0.5416667 0.0833333 0.5416667), wk = 0.0045662 k( 216) = ( 0.5312500 0.0625000 0.5312500), wk = 0.0045662 k( 217) = ( 0.5208333 0.0416667 0.5208333), wk = 0.0045662 k( 218) = ( 0.5104167 0.0208333 0.5104167), wk = 0.0045662 k( 219) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0045662 Dense grid: 166311 G-vectors FFT dimensions: ( 80, 80, 80) Smooth grid: 76849 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.33 Mb ( 274, 80) NL pseudopotentials 0.56 Mb ( 137, 266) Each V/rho on FFT grid 0.20 Mb ( 12800) Each G-vector array 0.02 Mb ( 2310) G-vector shells 0.01 Mb ( 776) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.34 Mb ( 274, 320) Each subspace H/S matrix 0.04 Mb ( 53, 53) Each matrix 0.65 Mb ( 266, 2, 80) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./SnxNCl3x2.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 3.6 secs Computing kpt #: 2 total cpu time spent up to now is 5.3 secs Computing kpt #: 3 total cpu time spent up to now is 6.9 secs Computing kpt #: 4 total cpu time spent up to now is 8.6 secs Computing kpt #: 5 total cpu time spent up to now is 10.7 secs Computing kpt #: 6 total cpu time spent up to now is 12.1 secs Computing kpt #: 7 total cpu time spent up to now is 13.6 secs Computing kpt #: 8 total cpu time spent up to now is 15.0 secs Computing kpt #: 9 total cpu time spent up to now is 16.5 secs Computing kpt #: 10 total cpu time spent up to now is 17.9 secs Computing kpt #: 11 total cpu time spent up to now is 19.3 secs Computing kpt #: 12 total cpu time spent up to now is 23.8 secs Computing kpt #: 13 total cpu time spent up to now is 25.2 secs Computing kpt #: 14 total cpu time spent up to now is 26.6 secs Computing kpt #: 15 total cpu time spent up to now is 27.9 secs Computing kpt #: 16 total cpu time spent up to now is 29.3 secs Computing kpt #: 17 total cpu time spent up to now is 30.6 secs Computing kpt #: 18 total cpu time spent up to now is 32.0 secs Computing kpt #: 19 total cpu time spent up to now is 33.3 secs Computing kpt #: 20 total cpu time spent up to now is 34.7 secs Computing kpt #: 21 total cpu time spent up to now is 35.9 secs Computing kpt #: 22 total cpu time spent up to now is 37.0 secs Computing kpt #: 23 total cpu time spent up to now is 38.2 secs Computing kpt #: 24 total cpu time spent up to now is 39.4 secs Computing kpt #: 25 total cpu time spent up to now is 40.5 secs Computing kpt #: 26 total cpu time spent up to now is 41.7 secs Computing kpt #: 27 total cpu time spent up to now is 42.8 secs Computing kpt #: 28 total cpu time spent up to now is 44.0 secs Computing kpt #: 29 total cpu time spent up to now is 45.2 secs Computing kpt #: 30 total cpu time spent up to now is 46.3 secs Computing kpt #: 31 total cpu time spent up to now is 47.5 secs Computing kpt #: 32 total cpu time spent up to now is 48.6 secs Computing kpt #: 33 total cpu time spent up to now is 49.8 secs Computing kpt #: 34 total cpu time spent up to now is 50.9 secs Computing kpt #: 35 total cpu time spent up to now is 52.1 secs Computing kpt #: 36 total cpu time spent up to now is 53.2 secs Computing kpt #: 37 total cpu time spent up to now is 54.4 secs Computing kpt #: 38 total cpu time spent up to now is 55.6 secs Computing kpt #: 39 total cpu time spent up to now is 56.8 secs Computing kpt #: 40 total cpu time spent up to now is 57.9 secs Computing kpt #: 41 total cpu time spent up to now is 59.0 secs Computing kpt #: 42 total cpu time spent up to now is 60.2 secs Computing kpt #: 43 total cpu time spent up to now is 61.3 secs Computing kpt #: 44 total cpu time spent up to now is 62.5 secs Computing kpt #: 45 total cpu time spent up to now is 63.7 secs Computing kpt #: 46 total cpu time spent up to now is 64.8 secs Computing kpt #: 47 total cpu time spent up to now is 66.0 secs Computing kpt #: 48 total cpu time spent up to now is 67.2 secs Computing kpt #: 49 total cpu time spent up to now is 68.5 secs Computing kpt #: 50 total cpu time spent up to now is 69.9 secs Computing kpt #: 51 total cpu time spent up to now is 71.0 secs Computing kpt #: 52 total cpu time spent up to now is 72.2 secs Computing kpt #: 53 total cpu time spent up to now is 73.3 secs Computing kpt #: 54 total cpu time spent up to now is 74.5 secs Computing kpt #: 55 total cpu time spent up to now is 75.7 secs Computing kpt #: 56 total cpu time spent up to now is 77.0 secs Computing kpt #: 57 total cpu time spent up to now is 78.3 secs Computing kpt #: 58 total cpu time spent up to now is 79.7 secs Computing kpt #: 59 total cpu time spent up to now is 80.8 secs Computing kpt #: 60 total cpu time spent up to now is 82.2 secs Computing kpt #: 61 total cpu time spent up to now is 83.5 secs Computing kpt #: 62 total cpu time spent up to now is 84.7 secs Computing kpt #: 63 total cpu time spent up to now is 85.9 secs Computing kpt #: 64 total cpu time spent up to now is 87.0 secs Computing kpt #: 65 total cpu time spent up to now is 88.2 secs Computing kpt #: 66 total cpu time spent up to now is 89.3 secs Computing kpt #: 67 total cpu time spent up to now is 90.5 secs Computing kpt #: 68 total cpu time spent up to now is 91.6 secs Computing kpt #: 69 total cpu time spent up to now is 92.7 secs Computing kpt #: 70 total cpu time spent up to now is 93.9 secs Computing kpt #: 71 total cpu time spent up to now is 95.0 secs Computing kpt #: 72 total cpu time spent up to now is 96.2 secs Computing kpt #: 73 total cpu time spent up to now is 97.3 secs Computing kpt #: 74 total cpu time spent up to now is 98.5 secs Computing kpt #: 75 total cpu time spent up to now is 99.6 secs Computing kpt #: 76 total cpu time spent up to now is 100.8 secs Computing kpt #: 77 total cpu time spent up to now is 101.9 secs Computing kpt #: 78 total cpu time spent up to now is 103.1 secs Computing kpt #: 79 total cpu time spent up to now is 104.2 secs Computing kpt #: 80 total cpu time spent up to now is 105.4 secs Computing kpt #: 81 total cpu time spent up to now is 106.5 secs Computing kpt #: 82 total cpu time spent up to now is 107.7 secs Computing kpt #: 83 total cpu time spent up to now is 108.8 secs Computing kpt #: 84 total cpu time spent up to now is 110.0 secs Computing kpt #: 85 total cpu time spent up to now is 111.1 secs Computing kpt #: 86 total cpu time spent up to now is 112.3 secs Computing kpt #: 87 total cpu time spent up to now is 113.4 secs Computing kpt #: 88 total cpu time spent up to now is 114.6 secs Computing kpt #: 89 total cpu time spent up to now is 115.8 secs Computing kpt #: 90 total cpu time spent up to now is 117.1 secs Computing kpt #: 91 total cpu time spent up to now is 118.5 secs Computing kpt #: 92 total cpu time spent up to now is 119.8 secs Computing kpt #: 93 total cpu time spent up to now is 121.2 secs Computing kpt #: 94 total cpu time spent up to now is 122.6 secs Computing kpt #: 95 total cpu time spent up to now is 124.0 secs Computing kpt #: 96 total cpu time spent up to now is 125.5 secs Computing kpt #: 97 total cpu time spent up to now is 126.9 secs Computing kpt #: 98 total cpu time spent up to now is 128.1 secs Computing kpt #: 99 total cpu time spent up to now is 129.2 secs Computing kpt #: 100 total cpu time spent up to now is 130.6 secs Computing kpt #: 101 total cpu time spent up to now is 132.1 secs Computing kpt #: 102 total cpu time spent up to now is 133.5 secs Computing kpt #: 103 total cpu time spent up to now is 134.9 secs Computing kpt #: 104 total cpu time spent up to now is 136.3 secs Computing kpt #: 105 total cpu time spent up to now is 137.7 secs Computing kpt #: 106 total cpu time spent up to now is 139.1 secs Computing kpt #: 107 total cpu time spent up to now is 140.4 secs Computing kpt #: 108 total cpu time spent up to now is 141.7 secs Computing kpt #: 109 total cpu time spent up to now is 142.9 secs Computing kpt #: 110 total cpu time spent up to now is 144.3 secs Computing kpt #: 111 total cpu time spent up to now is 145.4 secs Computing kpt #: 112 total cpu time spent up to now is 146.6 secs Computing kpt #: 113 total cpu time spent up to now is 147.9 secs Computing kpt #: 114 total cpu time spent up to now is 149.1 secs Computing kpt #: 115 total cpu time spent up to now is 150.3 secs Computing kpt #: 116 total cpu time spent up to now is 151.6 secs Computing kpt #: 117 total cpu time spent up to now is 152.8 secs Computing kpt #: 118 total cpu time spent up to now is 154.1 secs Computing kpt #: 119 total cpu time spent up to now is 155.3 secs Computing kpt #: 120 total cpu time spent up to now is 156.4 secs Computing kpt #: 121 total cpu time spent up to now is 157.6 secs Computing kpt #: 122 total cpu time spent up to now is 158.7 secs Computing kpt #: 123 total cpu time spent up to now is 159.8 secs Computing kpt #: 124 total cpu time spent up to now is 161.0 secs Computing kpt #: 125 total cpu time spent up to now is 162.1 secs Computing kpt #: 126 total cpu time spent up to now is 163.2 secs Computing kpt #: 127 total cpu time spent up to now is 164.4 secs Computing kpt #: 128 total cpu time spent up to now is 165.5 secs Computing kpt #: 129 total cpu time spent up to now is 166.7 secs Computing kpt #: 130 total cpu time spent up to now is 167.8 secs Computing kpt #: 131 total cpu time spent up to now is 168.9 secs Computing kpt #: 132 total cpu time spent up to now is 170.1 secs Computing kpt #: 133 total cpu time spent up to now is 171.4 secs Computing kpt #: 134 total cpu time spent up to now is 172.6 secs Computing kpt #: 135 total cpu time spent up to now is 173.7 secs Computing kpt #: 136 total cpu time spent up to now is 174.9 secs Computing kpt #: 137 total cpu time spent up to now is 176.0 secs Computing kpt #: 138 total cpu time spent up to now is 177.2 secs Computing kpt #: 139 total cpu time spent up to now is 178.3 secs Computing kpt #: 140 total cpu time spent up to now is 179.5 secs Computing kpt #: 141 total cpu time spent up to now is 180.6 secs Computing kpt #: 142 total cpu time spent up to now is 181.7 secs Computing kpt #: 143 total cpu time spent up to now is 182.9 secs Computing kpt #: 144 total cpu time spent up to now is 184.0 secs Computing kpt #: 145 total cpu time spent up to now is 185.2 secs Computing kpt #: 146 total cpu time spent up to now is 186.4 secs Computing kpt #: 147 total cpu time spent up to now is 187.5 secs Computing kpt #: 148 total cpu time spent up to now is 188.7 secs Computing kpt #: 149 total cpu time spent up to now is 190.0 secs Computing kpt #: 150 total cpu time spent up to now is 191.4 secs Computing kpt #: 151 total cpu time spent up to now is 192.5 secs Computing kpt #: 152 total cpu time spent up to now is 193.7 secs Computing kpt #: 153 total cpu time spent up to now is 194.9 secs Computing kpt #: 154 total cpu time spent up to now is 196.0 secs Computing kpt #: 155 total cpu time spent up to now is 197.4 secs Computing kpt #: 156 total cpu time spent up to now is 198.7 secs Computing kpt #: 157 total cpu time spent up to now is 200.1 secs Computing kpt #: 158 total cpu time spent up to now is 201.2 secs Computing kpt #: 159 total cpu time spent up to now is 202.4 secs Computing kpt #: 160 total cpu time spent up to now is 203.8 secs Computing kpt #: 161 total cpu time spent up to now is 205.1 secs Computing kpt #: 162 total cpu time spent up to now is 206.4 secs Computing kpt #: 163 total cpu time spent up to now is 207.8 secs Computing kpt #: 164 total cpu time spent up to now is 208.9 secs Computing kpt #: 165 total cpu time spent up to now is 210.3 secs Computing kpt #: 166 total cpu time spent up to now is 211.5 secs Computing kpt #: 167 total cpu time spent up to now is 212.6 secs Computing kpt #: 168 total cpu time spent up to now is 213.8 secs Computing kpt #: 169 total cpu time spent up to now is 214.9 secs Computing kpt #: 170 total cpu time spent up to now is 216.1 secs Computing kpt #: 171 total cpu time spent up to now is 217.3 secs Computing kpt #: 172 total cpu time spent up to now is 218.4 secs Computing kpt #: 173 total cpu time spent up to now is 219.6 secs Computing kpt #: 174 total cpu time spent up to now is 220.7 secs Computing kpt #: 175 total cpu time spent up to now is 221.9 secs Computing kpt #: 176 total cpu time spent up to now is 223.1 secs Computing kpt #: 177 total cpu time spent up to now is 224.2 secs Computing kpt #: 178 total cpu time spent up to now is 225.4 secs Computing kpt #: 179 total cpu time spent up to now is 226.5 secs Computing kpt #: 180 total cpu time spent up to now is 227.7 secs Computing kpt #: 181 total cpu time spent up to now is 228.8 secs Computing kpt #: 182 total cpu time spent up to now is 230.0 secs Computing kpt #: 183 total cpu time spent up to now is 231.1 secs Computing kpt #: 184 total cpu time spent up to now is 232.3 secs Computing kpt #: 185 total cpu time spent up to now is 233.4 secs Computing kpt #: 186 total cpu time spent up to now is 234.5 secs Computing kpt #: 187 total cpu time spent up to now is 235.7 secs Computing kpt #: 188 total cpu time spent up to now is 236.8 secs Computing kpt #: 189 total cpu time spent up to now is 238.0 secs Computing kpt #: 190 total cpu time spent up to now is 239.1 secs Computing kpt #: 191 total cpu time spent up to now is 240.3 secs Computing kpt #: 192 total cpu time spent up to now is 241.4 secs Computing kpt #: 193 total cpu time spent up to now is 242.6 secs Computing kpt #: 194 total cpu time spent up to now is 243.7 secs Computing kpt #: 195 total cpu time spent up to now is 244.9 secs Computing kpt #: 196 total cpu time spent up to now is 246.0 secs Computing kpt #: 197 total cpu time spent up to now is 247.2 secs Computing kpt #: 198 total cpu time spent up to now is 248.3 secs Computing kpt #: 199 total cpu time spent up to now is 249.5 secs Computing kpt #: 200 total cpu time spent up to now is 250.6 secs Computing kpt #: 201 total cpu time spent up to now is 251.8 secs Computing kpt #: 202 total cpu time spent up to now is 252.9 secs Computing kpt #: 203 total cpu time spent up to now is 254.1 secs Computing kpt #: 204 total cpu time spent up to now is 255.3 secs Computing kpt #: 205 total cpu time spent up to now is 256.4 secs Computing kpt #: 206 total cpu time spent up to now is 257.6 secs Computing kpt #: 207 total cpu time spent up to now is 258.7 secs Computing kpt #: 208 total cpu time spent up to now is 259.9 secs Computing kpt #: 209 total cpu time spent up to now is 261.2 secs Computing kpt #: 210 total cpu time spent up to now is 262.4 secs Computing kpt #: 211 total cpu time spent up to now is 263.6 secs Computing kpt #: 212 total cpu time spent up to now is 264.7 secs Computing kpt #: 213 total cpu time spent up to now is 265.9 secs Computing kpt #: 214 total cpu time spent up to now is 267.0 secs Computing kpt #: 215 total cpu time spent up to now is 268.2 secs Computing kpt #: 216 total cpu time spent up to now is 269.3 secs Computing kpt #: 217 total cpu time spent up to now is 270.5 secs Computing kpt #: 218 total cpu time spent up to now is 271.6 secs Computing kpt #: 219 total cpu time spent up to now is 272.7 secs ethr = 1.52E-08, avg # of iterations = 20.6 total cpu time spent up to now is 272.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 9577 PWs) bands (ev): -21.0240 -21.0240 -21.0240 -21.0240 -20.0211 -20.0211 -20.0211 -20.0211 -19.9289 -19.9289 -14.0290 -14.0290 -13.2194 -13.2194 -13.2041 -13.2041 -13.2041 -13.2041 -12.7442 -12.7442 -12.7442 -12.7442 -11.6321 -11.6321 -11.6107 -11.6107 -6.2415 -6.2415 -3.2105 -3.2105 -3.1238 -3.1238 -3.1238 -3.1238 -2.0857 -2.0857 -2.0857 -2.0857 -2.0405 -2.0405 -0.8164 -0.8164 -0.7056 -0.7056 -0.7056 -0.7056 -0.6930 -0.6930 -0.6930 -0.6930 -0.6174 -0.6174 -0.6174 -0.6174 -0.5549 -0.5549 0.0196 0.0196 0.0909 0.0909 0.0909 0.0909 0.2658 0.2658 0.2745 0.2745 0.2745 0.2745 0.2922 0.2922 0.3474 0.3474 0.3474 0.3474 2.3614 2.3614 6.4696 6.4696 6.8946 6.8946 k = 0.0156-0.0090 0.0128 ( 9577 PWs) bands (ev): -21.0240 -21.0240 -21.0240 -21.0240 -20.0211 -20.0211 -20.0211 -20.0211 -19.9289 -19.9289 -14.0287 -14.0287 -13.2195 -13.2195 -13.2042 -13.2042 -13.2041 -13.2041 -12.7446 -12.7446 -12.7441 -12.7441 -11.6321 -11.6321 -11.6107 -11.6107 -6.2407 -6.2407 -3.2100 -3.2100 -3.1234 -3.1234 -3.1232 -3.1232 -2.0850 -2.0850 -2.0847 -2.0847 -2.0397 -2.0397 -0.8173 -0.8173 -0.7123 -0.7123 -0.7058 -0.7058 -0.6930 -0.6930 -0.6887 -0.6887 -0.6178 -0.6178 -0.6178 -0.6178 -0.5552 -0.5552 0.0188 0.0188 0.0896 0.0896 0.0905 0.0905 0.2653 0.2653 0.2739 0.2739 0.2741 0.2741 0.2917 0.2917 0.3463 0.3463 0.3471 0.3471 2.3643 2.3643 6.4710 6.4710 6.8959 6.8960 k = 0.0312-0.0180 0.0255 ( 9609 PWs) bands (ev): -21.0240 -21.0240 -21.0240 -21.0240 -20.0211 -20.0211 -20.0211 -20.0211 -19.9289 -19.9289 -14.0277 -14.0277 -13.2196 -13.2196 -13.2043 -13.2043 -13.2042 -13.2042 -12.7459 -12.7459 -12.7441 -12.7441 -11.6321 -11.6321 -11.6108 -11.6108 -6.2383 -6.2383 -3.2086 -3.2086 -3.1221 -3.1221 -3.1215 -3.1215 -2.0829 -2.0829 -2.0816 -2.0816 -2.0370 -2.0370 -0.8202 -0.8202 -0.7247 -0.7247 -0.7066 -0.7066 -0.6931 -0.6931 -0.6834 -0.6834 -0.6189 -0.6189 -0.6187 -0.6187 -0.5563 -0.5563 0.0161 0.0161 0.0856 0.0856 0.0894 0.0894 0.2638 0.2638 0.2723 0.2723 0.2729 0.2729 0.2900 0.2900 0.3431 0.3431 0.3462 0.3462 2.3730 2.3730 6.4750 6.4750 6.9001 6.9001 k = 0.0469-0.0271 0.0383 ( 9605 PWs) bands (ev): -21.0240 -21.0240 -21.0240 -21.0240 -20.0211 -20.0211 -20.0211 -20.0211 -19.9289 -19.9289 -14.0261 -14.0261 -13.2198 -13.2198 -13.2046 -13.2046 -13.2043 -13.2043 -12.7480 -12.7480 -12.7440 -12.7440 -11.6322 -11.6322 -11.6110 -11.6110 -6.2342 -6.2342 -3.2062 -3.2062 -3.1200 -3.1200 -3.1186 -3.1186 -2.0793 -2.0793 -2.0764 -2.0764 -2.0324 -2.0324 -0.8255 -0.8255 -0.7391 -0.7391 -0.7079 -0.7079 -0.6932 -0.6932 -0.6803 -0.6803 -0.6207 -0.6207 -0.6202 -0.6202 -0.5580 -0.5580 0.0116 0.0116 0.0789 0.0789 0.0877 0.0877 0.2609 0.2609 0.2702 0.2702 0.2710 0.2710 0.2870 0.2870 0.3381 0.3381 0.3447 0.3447 2.3874 2.3874 6.4818 6.4818 6.9069 6.9069 k = 0.0625-0.0361 0.0510 ( 9609 PWs) bands (ev): -21.0240 -21.0240 -21.0240 -21.0240 -20.0211 -20.0211 -20.0211 -20.0211 -19.9289 -19.9289 -14.0239 -14.0239 -13.2200 -13.2200 -13.2049 -13.2049 -13.2045 -13.2045 -12.7510 -12.7510 -12.7440 -12.7440 -11.6324 -11.6324 -11.6112 -11.6112 -6.2286 -6.2286 -3.2029 -3.2029 -3.1171 -3.1171 -3.1145 -3.1145 -2.0744 -2.0744 -2.0691 -2.0691 -2.0260 -2.0260 -0.8341 -0.8341 -0.7542 -0.7542 -0.7100 -0.7100 -0.6934 -0.6934 -0.6798 -0.6798 -0.6229 -0.6229 -0.6222 -0.6222 -0.5602 -0.5602 0.0049 0.0049 0.0695 0.0695 0.0855 0.0855 0.2562 0.2562 0.2679 0.2679 0.2684 0.2684 0.2824 0.2824 0.3317 0.3317 0.3425 0.3425 2.4072 2.4072 6.4911 6.4911 6.9164 6.9166 k = 0.0781-0.0451 0.0638 ( 9617 PWs) bands (ev): -21.0240 -21.0240 -21.0240 -21.0240 -20.0211 -20.0211 -20.0211 -20.0211 -19.9289 -19.9289 -14.0210 -14.0210 -13.2203 -13.2203 -13.2054 -13.2054 -13.2047 -13.2047 -12.7547 -12.7547 -12.7438 -12.7438 -11.6325 -11.6325 -11.6116 -11.6116 -6.2215 -6.2215 -3.1987 -3.1987 -3.1133 -3.1133 -3.1093 -3.1093 -2.0683 -2.0683 -2.0599 -2.0599 -2.0177 -2.0177 -0.8470 -0.8470 -0.7689 -0.7689 -0.7130 -0.7130 -0.6936 -0.6936 -0.6820 -0.6820 -0.6254 -0.6254 -0.6246 -0.6246 -0.5628 -0.5628 -0.0042 -0.0042 0.0574 0.0574 0.0832 0.0832 0.2495 0.2495 0.2650 0.2650 0.2658 0.2658 0.2761 0.2761 0.3244 0.3244 0.3398 0.3398 2.4322 2.4322 6.5030 6.5030 6.9285 6.9286 k = 0.0938-0.0541 0.0765 ( 9621 PWs) bands (ev): -21.0241 -21.0241 -21.0240 -21.0240 -20.0211 -20.0211 -20.0211 -20.0211 -19.9289 -19.9289 -14.0175 -14.0175 -13.2207 -13.2207 -13.2059 -13.2059 -13.2049 -13.2049 -12.7593 -12.7593 -12.7437 -12.7437 -11.6327 -11.6327 -11.6119 -11.6119 -6.2128 -6.2128 -3.1937 -3.1937 -3.1088 -3.1088 -3.1029 -3.1029 -2.0611 -2.0611 -2.0485 -2.0485 -2.0074 -2.0074 -0.8649 -0.8649 -0.7823 -0.7823 -0.7172 -0.7172 -0.6939 -0.6939 -0.6870 -0.6870 -0.6279 -0.6279 -0.6272 -0.6272 -0.5655 -0.5655 -0.0158 -0.0158 0.0427 0.0427 0.0809 0.0809 0.2411 0.2411 0.2596 0.2596 0.2639 0.2639 0.2689 0.2689 0.3170 0.3170 0.3365 0.3365 2.4620 2.4620 6.5173 6.5173 6.9431 6.9431 k = 0.1094-0.0631 0.0893 ( 9609 PWs) bands (ev): -21.0241 -21.0241 -21.0240 -21.0240 -20.0211 -20.0211 -20.0211 -20.0211 -19.9289 -19.9289 -14.0134 -14.0134 -13.2212 -13.2212 -13.2065 -13.2065 -13.2052 -13.2052 -12.7646 -12.7646 -12.7435 -12.7435 -11.6330 -11.6330 -11.6124 -11.6124 -6.2028 -6.2028 -3.1878 -3.1878 -3.1035 -3.1035 -3.0954 -3.0954 -2.0528 -2.0528 -2.0352 -2.0352 -1.9950 -1.9950 -0.8878 -0.8878 -0.7946 -0.7946 -0.7228 -0.7228 -0.6946 -0.6946 -0.6942 -0.6942 -0.6301 -0.6301 -0.6300 -0.6300 -0.5682 -0.5682 -0.0302 -0.0302 0.0253 0.0253 0.0788 0.0788 0.2312 0.2312 0.2499 0.2499 0.2619 0.2619 0.2631 0.2631 0.3098 0.3098 0.3325 0.3325 2.4963 2.4963 6.5339 6.5339 6.9599 6.9599 k = 0.1250-0.0722 0.1021 ( 9601 PWs) bands (ev): -21.0241 -21.0241 -21.0240 -21.0240 -20.0211 -20.0211 -20.0211 -20.0211 -19.9289 -19.9289 -14.0088 -14.0088 -13.2217 -13.2217 -13.2072 -13.2072 -13.2055 -13.2055 -12.7706 -12.7706 -12.7434 -12.7434 -11.6333 -11.6333 -11.6129 -11.6129 -6.1914 -6.1914 -3.1811 -3.1811 -3.0975 -3.0975 -3.0868 -3.0868 -2.0436 -2.0436 -2.0199 -2.0199 -1.9806 -1.9806 -0.9149 -0.9149 -0.8063 -0.8063 -0.7299 -0.7299 -0.7049 -0.7049 -0.6946 -0.6946 -0.6330 -0.6330 -0.6318 -0.6318 -0.5706 -0.5706 -0.0474 -0.0474 0.0053 0.0053 0.0769 0.0769 0.2198 0.2198 0.2358 0.2358 0.2589 0.2589 0.2600 0.2600 0.3030 0.3030 0.3280 0.3280 2.5345 2.5345 6.5528 6.5528 6.9790 6.9790 k = 0.1406-0.0812 0.1148 ( 9605 PWs) bands (ev): -21.0241 -21.0241 -21.0240 -21.0240 -20.0211 -20.0211 -20.0211 -20.0211 -19.9289 -19.9289 -14.0037 -14.0037 -13.2223 -13.2223 -13.2079 -13.2079 -13.2059 -13.2059 -12.7773 -12.7773 -12.7432 -12.7432 -11.6335 -11.6335 -11.6134 -11.6134 -6.1788 -6.1788 -3.1737 -3.1737 -3.0909 -3.0909 -3.0771 -3.0771 -2.0336 -2.0336 -2.0027 -2.0027 -1.9642 -1.9642 -0.9454 -0.9454 -0.8181 -0.8181 -0.7388 -0.7388 -0.7175 -0.7175 -0.6950 -0.6950 -0.6362 -0.6362 -0.6328 -0.6328 -0.5725 -0.5725 -0.0672 -0.0672 -0.0171 -0.0171 0.0752 0.0752 0.2070 0.2070 0.2190 0.2190 0.2551 0.2551 0.2582 0.2582 0.2964 0.2964 0.3229 0.3229 2.5763 2.5763 6.5737 6.5737 7.0000 7.0000 k = 0.1562-0.0902 0.1276 ( 9605 PWs) bands (ev): -21.0241 -21.0241 -21.0240 -21.0240 -20.0211 -20.0211 -20.0211 -20.0211 -19.9289 -19.9289 -13.9980 -13.9980 -13.2230 -13.2230 -13.2087 -13.2087 -13.2063 -13.2063 -12.7847 -12.7847 -12.7429 -12.7429 -11.6339 -11.6339 -11.6140 -11.6140 -6.1650 -6.1650 -3.1656 -3.1656 -3.0836 -3.0836 -3.0663 -3.0663 -2.0228 -2.0228 -1.9836 -1.9836 -1.9457 -1.9457 -0.9787 -0.9787 -0.8307 -0.8307 -0.7493 -0.7493 -0.7323 -0.7323 -0.6954 -0.6954 -0.6397 -0.6397 -0.6329 -0.6329 -0.5735 -0.5735 -0.0897 -0.0897 -0.0419 -0.0419 0.0737 0.0737 0.1931 0.1931 0.2001 0.2001 0.2514 0.2514 0.2563 0.2563 0.2901 0.2901 0.3173 0.3173 2.6212 2.6212 6.5964 6.5964 7.0229 7.0229 k = 0.1719-0.0992 0.1403 ( 9613 PWs) bands (ev): -21.0241 -21.0241 -21.0240 -21.0240 -20.0211 -20.0211 -20.0211 -20.0211 -19.9289 -19.9289 -13.9919 -13.9919 -13.2238 -13.2238 -13.2095 -13.2095 -13.2067 -13.2067 -12.7926 -12.7926 -12.7427 -12.7427 -11.6342 -11.6342 -11.6146 -11.6146 -6.1502 -6.1502 -3.1570 -3.1570 -3.0757 -3.0757 -3.0545 -3.0545 -2.0114 -2.0114 -1.9627 -1.9627 -1.9252 -1.9252 -1.0142 -1.0142 -0.8442 -0.8442 -0.7614 -0.7614 -0.7490 -0.7490 -0.6959 -0.6959 -0.6436 -0.6436 -0.6322 -0.6322 -0.5736 -0.5736 -0.1146 -0.1146 -0.0690 -0.0690 0.0723 0.0723 0.1781 0.1781 0.1798 0.1798 0.2477 0.2477 0.2544 0.2544 0.2839 0.2839 0.3113 0.3113 2.6686 2.6686 6.6209 6.6209 7.0474 7.0474 k = 0.1875-0.1083 0.1531 ( 9609 PWs) bands (ev): -21.0241 -21.0241 -21.0240 -21.0240 -20.0211 -20.0211 -20.0211 -20.0211 -19.9289 -19.9289 -13.9853 -13.9853 -13.2246 -13.2246 -13.2104 -13.2104 -13.2071 -13.2071 -12.8010 -12.8010 -12.7425 -12.7425 -11.6346 -11.6346 -11.6152 -11.6152 -6.1344 -6.1344 -3.1478 -3.1478 -3.0673 -3.0673 -3.0417 -3.0417 -1.9993 -1.9993 -1.9400 -1.9400 -1.9029 -1.9029 -1.0515 -1.0515 -0.8589 -0.8589 -0.7750 -0.7750 -0.7674 -0.7674 -0.6964 -0.6964 -0.6479 -0.6479 -0.6306 -0.6306 -0.5726 -0.5726 -0.1418 -0.1418 -0.0981 -0.0981 0.0712 0.0712 0.1585 0.1585 0.1622 0.1622 0.2439 0.2439 0.2525 0.2525 0.2779 0.2779 0.3049 0.3049 2.7181 2.7181 6.6468 6.6468 7.0733 7.0733 k = 0.2031-0.1173 0.1659 ( 9601 PWs) bands (ev): -21.0241 -21.0241 -21.0240 -21.0240 -20.0211 -20.0211 -20.0211 -20.0211 -19.9289 -19.9289 -13.9784 -13.9784 -13.2255 -13.2255 -13.2113 -13.2113 -13.2075 -13.2075 -12.8099 -12.8099 -12.7422 -12.7422 -11.6349 -11.6349 -11.6158 -11.6158 -6.1179 -6.1179 -3.1382 -3.1382 -3.0585 -3.0585 -3.0279 -3.0279 -1.9866 -1.9866 -1.9155 -1.9155 -1.8786 -1.8786 -1.0902 -1.0902 -0.8747 -0.8747 -0.7899 -0.7899 -0.7871 -0.7871 -0.6970 -0.6970 -0.6528 -0.6528 -0.6282 -0.6282 -0.5706 -0.5706 -0.1711 -0.1711 -0.1291 -0.1291 0.0701 0.0701 0.1366 0.1366 0.1454 0.1454 0.2397 0.2397 0.2505 0.2505 0.2721 0.2721 0.2982 0.2982 2.7691 2.7691 6.6740 6.6740 7.1003 7.1003 k = 0.2188-0.1263 0.1786 ( 9613 PWs) bands (ev): -21.0241 -21.0241 -21.0240 -21.0240 -20.0211 -20.0211 -20.0211 -20.0211 -19.9289 -19.9289 -13.9711 -13.9711 -13.2264 -13.2264 -13.2121 -13.2121 -13.2080 -13.2080 -12.8191 -12.8191 -12.7419 -12.7419 -11.6353 -11.6353 -11.6165 -11.6165 -6.1007 -6.1007 -3.1282 -3.1282 -3.0492 -3.0492 -3.0133 -3.0133 -1.9735 -1.9735 -1.8894 -1.8894 -1.8525 -1.8525 -1.1301 -1.1301 -0.8915 -0.8915 -0.8079 -0.8079 -0.8060 -0.8060 -0.6976 -0.6976 -0.6581 -0.6581 -0.6251 -0.6251 -0.5676 -0.5676 -0.2023 -0.2023 -0.1619 -0.1619 0.0692 0.0692 0.1143 0.1143 0.1280 0.1280 0.2351 0.2351 0.2483 0.2483 0.2666 0.2666 0.2913 0.2913 2.8212 2.8212 6.7022 6.7022 7.1282 7.1282 k = 0.2344-0.1353 0.1914 ( 9605 PWs) bands (ev): -21.0241 -21.0241 -21.0240 -21.0240 -20.0212 -20.0212 -20.0211 -20.0211 -19.9289 -19.9289 -13.9636 -13.9636 -13.2275 -13.2275 -13.2130 -13.2130 -13.2085 -13.2085 -12.8286 -12.8286 -12.7417 -12.7417 -11.6357 -11.6357 -11.6171 -11.6171 -6.0831 -6.0831 -3.1179 -3.1179 -3.0397 -3.0397 -2.9978 -2.9978 -1.9600 -1.9600 -1.8616 -1.8616 -1.8248 -1.8248 -1.1708 -1.1708 -0.9092 -0.9092 -0.8295 -0.8295 -0.8231 -0.8231 -0.6982 -0.6982 -0.6638 -0.6638 -0.6214 -0.6214 -0.5638 -0.5638 -0.2352 -0.2352 -0.1962 -0.1962 0.0683 0.0683 0.0919 0.0919 0.1100 0.1100 0.2299 0.2299 0.2459 0.2459 0.2617 0.2617 0.2845 0.2845 2.8739 2.8739 6.7312 6.7312 7.1568 7.1568 k = 0.2500-0.1443 0.2041 ( 9613 PWs) bands (ev): -21.0241 -21.0241 -21.0240 -21.0240 -20.0212 -20.0212 -20.0211 -20.0211 -19.9289 -19.9289 -13.9558 -13.9558 -13.2285 -13.2285 -13.2138 -13.2138 -13.2089 -13.2089 -12.8384 -12.8384 -12.7414 -12.7414 -11.6361 -11.6361 -11.6178 -11.6178 -6.0651 -6.0651 -3.1074 -3.1074 -3.0299 -3.0299 -2.9815 -2.9815 -1.9463 -1.9463 -1.8324 -1.8324 -1.7954 -1.7954 -1.2120 -1.2120 -0.9276 -0.9276 -0.8517 -0.8517 -0.8409 -0.8409 -0.6989 -0.6989 -0.6697 -0.6697 -0.6171 -0.6171 -0.5594 -0.5594 -0.2695 -0.2695 -0.2317 -0.2317 0.0672 0.0672 0.0700 0.0700 0.0917 0.0917 0.2241 0.2241 0.2430 0.2430 0.2574 0.2574 0.2779 0.2779 2.9267 2.9267 6.7607 6.7607 7.1857 7.1857 k = 0.2656-0.1534 0.2169 ( 9589 PWs) bands (ev): -21.0241 -21.0241 -21.0240 -21.0240 -20.0212 -20.0212 -20.0211 -20.0211 -19.9289 -19.9289 -13.9479 -13.9479 -13.2297 -13.2297 -13.2147 -13.2147 -13.2094 -13.2094 -12.8483 -12.8483 -12.7411 -12.7411 -11.6365 -11.6365 -11.6184 -11.6184 -6.0469 -6.0469 -3.0968 -3.0968 -3.0200 -3.0200 -2.9646 -2.9646 -1.9323 -1.9323 -1.8018 -1.8018 -1.7644 -1.7644 -1.2535 -1.2535 -0.9466 -0.9466 -0.8742 -0.8742 -0.8594 -0.8594 -0.6996 -0.6996 -0.6757 -0.6757 -0.6125 -0.6125 -0.5546 -0.5546 -0.3050 -0.3050 -0.2683 -0.2683 0.0477 0.0477 0.0670 0.0670 0.0731 0.0731 0.2177 0.2177 0.2395 0.2395 0.2537 0.2537 0.2718 0.2718 2.9790 2.9790 6.7905 6.7905 7.2147 7.2147 k = 0.2812-0.1624 0.2296 ( 9601 PWs) bands (ev): -21.0241 -21.0241 -21.0240 -21.0240 -20.0212 -20.0212 -20.0211 -20.0211 -19.9289 -19.9289 -13.9399 -13.9399 -13.2308 -13.2308 -13.2155 -13.2155 -13.2099 -13.2099 -12.8582 -12.8582 -12.7409 -12.7409 -11.6369 -11.6369 -11.6190 -11.6190 -6.0287 -6.0287 -3.0862 -3.0862 -3.0101 -3.0101 -2.9472 -2.9472 -1.9184 -1.9184 -1.7699 -1.7699 -1.7320 -1.7320 -1.2950 -1.2950 -0.9659 -0.9659 -0.8968 -0.8968 -0.8784 -0.8784 -0.7005 -0.7005 -0.6817 -0.6817 -0.6077 -0.6077 -0.5496 -0.5496 -0.3414 -0.3414 -0.3055 -0.3055 0.0264 0.0264 0.0545 0.0545 0.0663 0.0663 0.2108 0.2108 0.2352 0.2352 0.2505 0.2505 0.2664 0.2664 3.0305 3.0305 6.8201 6.8201 7.2435 7.2435 k = 0.2969-0.1714 0.2424 ( 9577 PWs) bands (ev): -21.0241 -21.0241 -21.0240 -21.0240 -20.0212 -20.0212 -20.0211 -20.0211 -19.9289 -19.9289 -13.9320 -13.9320 -13.2320 -13.2320 -13.2162 -13.2162 -13.2103 -13.2103 -12.8680 -12.8680 -12.7406 -12.7406 -11.6373 -11.6373 -11.6196 -11.6196 -6.0107 -6.0107 -3.0757 -3.0757 -3.0002 -3.0002 -2.9293 -2.9293 -1.9044 -1.9044 -1.7368 -1.7368 -1.6982 -1.6982 -1.3360 -1.3360 -0.9852 -0.9852 -0.9193 -0.9193 -0.8978 -0.8978 -0.7015 -0.7015 -0.6876 -0.6876 -0.6028 -0.6028 -0.5447 -0.5447 -0.3784 -0.3784 -0.3430 -0.3430 0.0058 0.0058 0.0361 0.0361 0.0657 0.0657 0.2036 0.2036 0.2301 0.2301 0.2479 0.2479 0.2620 0.2620 3.0807 3.0807 6.8494 6.8494 7.2718 7.2718 k = 0.3125-0.1804 0.2552 ( 9593 PWs) bands (ev): -21.0241 -21.0241 -21.0240 -21.0240 -20.0212 -20.0212 -20.0211 -20.0211 -19.9288 -19.9288 -13.9241 -13.9241 -13.2332 -13.2332 -13.2169 -13.2169 -13.2108 -13.2108 -12.8777 -12.8777 -12.7403 -12.7403 -11.6377 -11.6377 -11.6202 -11.6202 -5.9931 -5.9931 -3.0654 -3.0654 -2.9904 -2.9904 -2.9112 -2.9112 -1.8907 -1.8907 -1.7028 -1.7028 -1.6631 -1.6631 -1.3762 -1.3762 -1.0045 -1.0045 -0.9417 -0.9417 -0.9174 -0.9174 -0.7027 -0.7027 -0.6931 -0.6931 -0.5982 -0.5982 -0.5402 -0.5402 -0.4154 -0.4154 -0.3802 -0.3802 -0.0139 -0.0139 0.0180 0.0180 0.0651 0.0651 0.1962 0.1962 0.2241 0.2241 0.2456 0.2456 0.2584 0.2584 3.1291 3.1291 6.8780 6.8780 7.2994 7.2994 k = 0.3281-0.1894 0.2679 ( 9605 PWs) bands (ev): -21.0241 -21.0241 -21.0240 -21.0240 -20.0212 -20.0212 -20.0211 -20.0211 -19.9288 -19.9288 -13.9163 -13.9163 -13.2344 -13.2344 -13.2176 -13.2176 -13.2112 -13.2112 -12.8871 -12.8871 -12.7401 -12.7401 -11.6380 -11.6380 -11.6208 -11.6208 -5.9760 -5.9760 -3.0554 -3.0554 -2.9810 -2.9810 -2.8930 -2.8930 -1.8773 -1.8773 -1.6682 -1.6682 -1.6270 -1.6270 -1.4151 -1.4151 -1.0235 -1.0235 -0.9636 -0.9636 -0.9373 -0.9373 -0.7047 -0.7047 -0.6978 -0.6978 -0.5942 -0.5942 -0.5370 -0.5370 -0.4519 -0.4519 -0.4161 -0.4161 -0.0325 -0.0325 0.0004 0.0004 0.0646 0.0646 0.1888 0.1888 0.2176 0.2176 0.2436 0.2436 0.2557 0.2557 3.1754 3.1754 6.9056 6.9056 7.3259 7.3259 k = 0.3438-0.1985 0.2807 ( 9605 PWs) bands (ev): -21.0241 -21.0241 -21.0240 -21.0240 -20.0212 -20.0212 -20.0211 -20.0211 -19.9288 -19.9288 -13.9088 -13.9088 -13.2357 -13.2357 -13.2182 -13.2182 -13.2116 -13.2116 -12.8962 -12.8962 -12.7399 -12.7399 -11.6384 -11.6384 -11.6213 -11.6213 -5.9596 -5.9596 -3.0458 -3.0458 -2.9718 -2.9718 -2.8748 -2.8748 -1.8645 -1.8645 -1.6335 -1.6335 -1.5898 -1.5898 -1.4518 -1.4518 -1.0421 -1.0421 -0.9851 -0.9851 -0.9573 -0.9573 -0.7080 -0.7080 -0.7011 -0.7011 -0.5919 -0.5919 -0.5368 -0.5368 -0.4866 -0.4866 -0.4486 -0.4486 -0.0500 -0.0500 -0.0165 -0.0165 0.0641 0.0641 0.1815 0.1815 0.2109 0.2109 0.2419 0.2419 0.2535 0.2535 3.2190 3.2190 6.9320 6.9320 7.3511 7.3511 k = 0.3594-0.2075 0.2934 ( 9597 PWs) bands (ev): -21.0241 -21.0241 -21.0240 -21.0240 -20.0212 -20.0212 -20.0211 -20.0211 -19.9288 -19.9288 -13.9017 -13.9017 -13.2368 -13.2368 -13.2188 -13.2188 -13.2120 -13.2120 -12.9047 -12.9047 -12.7397 -12.7397 -11.6387 -11.6387 -11.6218 -11.6218 -5.9441 -5.9441 -3.0368 -3.0368 -2.9632 -2.9632 -2.8571 -2.8571 -1.8522 -1.8522 -1.6004 -1.6004 -1.5518 -1.5518 -1.4845 -1.4845 -1.0601 -1.0601 -1.0060 -1.0060 -0.9776 -0.9776 -0.7123 -0.7123 -0.7033 -0.7033 -0.5933 -0.5933 -0.5438 -0.5438 -0.5170 -0.5170 -0.4731 -0.4731 -0.0661 -0.0661 -0.0326 -0.0326 0.0637 0.0637 0.1745 0.1745 0.2041 0.2041 0.2404 0.2404 0.2518 0.2518 3.2597 3.2597 6.9567 6.9567 7.3748 7.3748 k = 0.3750-0.2165 0.3062 ( 9585 PWs) bands (ev): -21.0241 -21.0241 -21.0240 -21.0240 -20.0212 -20.0212 -20.0211 -20.0211 -19.9288 -19.9288 -13.8950 -13.8950 -13.2379 -13.2379 -13.2193 -13.2193 -13.2123 -13.2123 -12.9127 -12.9127 -12.7395 -12.7395 -11.6390 -11.6390 -11.6222 -11.6222 -5.9298 -5.9298 -3.0283 -3.0283 -2.9551 -2.9551 -2.8399 -2.8399 -1.8407 -1.8407 -1.5760 -1.5760 -1.5132 -1.5132 -1.5058 -1.5058 -1.0776 -1.0776 -1.0261 -1.0261 -0.9983 -0.9983 -0.7166 -0.7166 -0.7054 -0.7054 -0.6033 -0.6033 -0.5619 -0.5619 -0.5380 -0.5380 -0.4851 -0.4851 -0.0808 -0.0808 -0.0475 -0.0475 0.0633 0.0633 0.1679 0.1679 0.1975 0.1975 0.2391 0.2391 0.2504 0.2504 3.2971 3.2971 6.9796 6.9796 7.3967 7.3967 k = 0.3906-0.2255 0.3189 ( 9601 PWs) bands (ev): -21.0241 -21.0241 -21.0240 -21.0240 -20.0212 -20.0212 -20.0211 -20.0211 -19.9288 -19.9288 -13.8888 -13.8888 -13.2390 -13.2390 -13.2198 -13.2198 -13.2126 -13.2126 -12.9201 -12.9201 -12.7393 -12.7393 -11.6392 -11.6392 -11.6226 -11.6226 -5.9166 -5.9166 -3.0206 -3.0206 -2.9477 -2.9477 -2.8235 -2.8235 -1.8302 -1.8302 -1.5790 -1.5790 -1.4969 -1.4969 -1.4741 -1.4741 -1.0949 -1.0949 -1.0453 -1.0453 -1.0195 -1.0195 -0.7207 -0.7207 -0.7078 -0.7078 -0.6242 -0.6242 -0.5873 -0.5873 -0.5467 -0.5467 -0.4879 -0.4879 -0.0941 -0.0941 -0.0612 -0.0612 0.0630 0.0630 0.1618 0.1618 0.1913 0.1913 0.2380 0.2380 0.2493 0.2493 3.3308 3.3308 7.0005 7.0005 7.4166 7.4166 k = 0.4062-0.2345 0.3317 ( 9609 PWs) bands (ev): -21.0241 -21.0241 -21.0240 -21.0240 -20.0212 -20.0212 -20.0211 -20.0211 -19.9288 -19.9288 -13.8832 -13.8832 -13.2400 -13.2400 -13.2202 -13.2202 -13.2129 -13.2129 -12.9266 -12.9266 -12.7391 -12.7391 -11.6395 -11.6395 -11.6229 -11.6229 -5.9049 -5.9049 -3.0137 -3.0137 -2.9410 -2.9410 -2.8084 -2.8084 -1.8207 -1.8207 -1.6001 -1.6001 -1.4667 -1.4667 -1.4347 -1.4347 -1.1123 -1.1123 -1.0631 -1.0631 -1.0415 -1.0415 -0.7245 -0.7245 -0.7112 -0.7112 -0.6505 -0.6505 -0.6135 -0.6135 -0.5482 -0.5482 -0.4869 -0.4869 -0.1057 -0.1057 -0.0735 -0.0735 0.0627 0.0627 0.1562 0.1562 0.1857 0.1857 0.2371 0.2371 0.2483 0.2483 3.3607 3.3607 7.0190 7.0190 7.4342 7.4342 k = 0.4219-0.2436 0.3445 ( 9617 PWs) bands (ev): -21.0241 -21.0241 -21.0240 -21.0240 -20.0213 -20.0213 -20.0210 -20.0210 -19.9288 -19.9288 -13.8783 -13.8783 -13.2408 -13.2408 -13.2205 -13.2205 -13.2132 -13.2132 -12.9324 -12.9324 -12.7390 -12.7390 -11.6397 -11.6397 -11.6232 -11.6232 -5.8947 -5.8947 -3.0076 -3.0076 -2.9352 -2.9352 -2.7948 -2.7948 -1.8124 -1.8124 -1.6229 -1.6229 -1.4315 -1.4315 -1.3953 -1.3953 -1.1307 -1.1307 -1.0789 -1.0789 -1.0646 -1.0646 -0.7278 -0.7278 -0.7160 -0.7160 -0.6768 -0.6768 -0.6366 -0.6366 -0.5471 -0.5471 -0.4846 -0.4846 -0.1156 -0.1156 -0.0842 -0.0842 0.0624 0.0624 0.1513 0.1513 0.1807 0.1807 0.2363 0.2363 0.2476 0.2476 3.3863 3.3863 7.0350 7.0350 7.4495 7.4495 k = 0.4375-0.2526 0.3572 ( 9609 PWs) bands (ev): -21.0241 -21.0241 -21.0240 -21.0240 -20.0213 -20.0213 -20.0210 -20.0210 -19.9288 -19.9288 -13.8742 -13.8742 -13.2416 -13.2416 -13.2208 -13.2208 -13.2134 -13.2134 -12.9372 -12.9372 -12.7389 -12.7389 -11.6398 -11.6398 -11.6235 -11.6235 -5.8862 -5.8862 -3.0026 -3.0026 -2.9304 -2.9304 -2.7831 -2.7831 -1.8055 -1.8055 -1.6434 -1.6434 -1.3953 -1.3953 -1.3561 -1.3561 -1.1507 -1.1507 -1.0921 -1.0921 -1.0891 -1.0891 -0.7306 -0.7306 -0.7228 -0.7228 -0.7006 -0.7006 -0.6545 -0.6545 -0.5453 -0.5453 -0.4822 -0.4822 -0.1239 -0.1239 -0.0931 -0.0931 0.0622 0.0622 0.1472 0.1472 0.1764 0.1764 0.2356 0.2356 0.2470 0.2470 3.4076 3.4076 7.0483 7.0483 7.4622 7.4622 k = 0.4531-0.2616 0.3700 ( 9609 PWs) bands (ev): -21.0241 -21.0241 -21.0240 -21.0240 -20.0213 -20.0213 -20.0210 -20.0210 -19.9288 -19.9288 -13.8710 -13.8710 -13.2422 -13.2422 -13.2210 -13.2210 -13.2135 -13.2135 -12.9409 -12.9409 -12.7388 -12.7388 -11.6400 -11.6400 -11.6236 -11.6236 -5.8795 -5.8795 -2.9986 -2.9986 -2.9265 -2.9265 -2.7736 -2.7736 -1.8000 -1.8000 -1.6601 -1.6601 -1.3594 -1.3594 -1.3176 -1.3176 -1.1730 -1.1730 -1.1154 -1.1154 -1.1023 -1.1023 -0.7338 -0.7338 -0.7303 -0.7303 -0.7205 -0.7205 -0.6665 -0.6665 -0.5435 -0.5435 -0.4800 -0.4800 -0.1303 -0.1303 -0.1002 -0.1002 0.0620 0.0620 0.1440 0.1440 0.1730 0.1730 0.2352 0.2352 0.2465 0.2465 3.4244 3.4244 7.0588 7.0588 7.4722 7.4722 k = 0.4688-0.2706 0.3827 ( 9609 PWs) bands (ev): -21.0241 -21.0241 -21.0240 -21.0240 -20.0213 -20.0213 -20.0210 -20.0210 -19.9288 -19.9288 -13.8686 -13.8686 -13.2426 -13.2426 -13.2212 -13.2212 -13.2136 -13.2136 -12.9437 -12.9437 -12.7387 -12.7387 -11.6401 -11.6401 -11.6238 -11.6238 -5.8746 -5.8746 -2.9957 -2.9957 -2.9237 -2.9237 -2.7665 -2.7665 -1.7959 -1.7959 -1.6724 -1.6724 -1.3245 -1.3245 -1.2802 -1.2802 -1.1977 -1.1977 -1.1437 -1.1437 -1.1095 -1.1095 -0.7406 -0.7406 -0.7354 -0.7354 -0.7335 -0.7335 -0.6734 -0.6734 -0.5421 -0.5421 -0.4783 -0.4783 -0.1350 -0.1350 -0.1054 -0.1054 0.0619 0.0619 0.1416 0.1416 0.1705 0.1705 0.2348 0.2348 0.2462 0.2462 3.4365 3.4365 7.0664 7.0664 7.4794 7.4794 k = 0.4844-0.2797 0.3955 ( 9624 PWs) bands (ev): -21.0241 -21.0241 -21.0240 -21.0240 -20.0213 -20.0213 -20.0210 -20.0210 -19.9288 -19.9288 -13.8671 -13.8671 -13.2429 -13.2429 -13.2213 -13.2213 -13.2137 -13.2137 -12.9454 -12.9454 -12.7387 -12.7387 -11.6401 -11.6401 -11.6239 -11.6239 -5.8717 -5.8717 -2.9940 -2.9940 -2.9220 -2.9220 -2.7622 -2.7622 -1.7935 -1.7935 -1.6800 -1.6800 -1.2918 -1.2918 -1.2446 -1.2446 -1.2240 -1.2240 -1.1736 -1.1736 -1.1138 -1.1138 -0.7464 -0.7464 -0.7446 -0.7446 -0.7346 -0.7346 -0.6769 -0.6769 -0.5412 -0.5412 -0.4772 -0.4772 -0.1378 -0.1378 -0.1085 -0.1085 0.0618 0.0618 0.1401 0.1401 0.1690 0.1690 0.2346 0.2346 0.2460 0.2460 3.4438 3.4438 7.0710 7.0710 7.4838 7.4838 k = 0.5000-0.2887 0.4082 ( 9640 PWs) bands (ev): -21.0241 -21.0241 -21.0240 -21.0240 -20.0213 -20.0213 -20.0210 -20.0210 -19.9288 -19.9288 -13.8667 -13.8667 -13.2430 -13.2430 -13.2213 -13.2213 -13.2137 -13.2137 -12.9459 -12.9459 -12.7387 -12.7387 -11.6402 -11.6402 -11.6239 -11.6239 -5.8707 -5.8707 -2.9934 -2.9934 -2.9215 -2.9215 -2.7607 -2.7607 -1.7927 -1.7927 -1.6826 -1.6826 -1.2702 -1.2702 -1.2436 -1.2436 -1.2189 -1.2189 -1.1973 -1.1973 -1.1152 -1.1152 -0.7485 -0.7485 -0.7477 -0.7477 -0.7350 -0.7350 -0.6779 -0.6779 -0.5409 -0.5409 -0.4769 -0.4769 -0.1387 -0.1387 -0.1095 -0.1095 0.0618 0.0618 0.1396 0.1396 0.1685 0.1685 0.2345 0.2345 0.2459 0.2459 3.4462 3.4462 7.0725 7.0725 7.4852 7.4852 k = 0.5000-0.2887 0.4082 ( 9640 PWs) bands (ev): -21.0241 -21.0241 -21.0240 -21.0240 -20.0213 -20.0213 -20.0210 -20.0210 -19.9288 -19.9288 -13.8667 -13.8667 -13.2430 -13.2430 -13.2213 -13.2213 -13.2137 -13.2137 -12.9459 -12.9459 -12.7387 -12.7387 -11.6402 -11.6402 -11.6239 -11.6239 -5.8707 -5.8707 -2.9934 -2.9934 -2.9215 -2.9215 -2.7607 -2.7607 -1.7927 -1.7927 -1.6826 -1.6826 -1.2702 -1.2702 -1.2436 -1.2436 -1.2189 -1.2189 -1.1973 -1.1973 -1.1152 -1.1152 -0.7485 -0.7485 -0.7477 -0.7477 -0.7350 -0.7350 -0.6779 -0.6779 -0.5409 -0.5409 -0.4769 -0.4769 -0.1387 -0.1387 -0.1095 -0.1095 0.0618 0.0618 0.1396 0.1396 0.1685 0.1685 0.2345 0.2345 0.2459 0.2459 3.4462 3.4462 7.0725 7.0725 7.4852 7.4852 k = 0.5000-0.2706 0.4210 ( 9628 PWs) bands (ev): -21.0241 -21.0241 -21.0240 -21.0240 -20.0213 -20.0213 -20.0210 -20.0210 -19.9288 -19.9288 -13.8666 -13.8666 -13.2430 -13.2430 -13.2215 -13.2215 -13.2139 -13.2139 -12.9453 -12.9453 -12.7390 -12.7390 -11.6401 -11.6401 -11.6239 -11.6239 -5.8707 -5.8707 -2.9936 -2.9936 -2.9216 -2.9216 -2.7612 -2.7612 -1.7919 -1.7919 -1.6808 -1.6808 -1.2700 -1.2700 -1.2459 -1.2459 -1.2187 -1.2187 -1.2000 -1.2000 -1.1119 -1.1119 -0.7601 -0.7601 -0.7486 -0.7486 -0.7219 -0.7219 -0.6770 -0.6770 -0.5422 -0.5422 -0.4783 -0.4783 -0.1366 -0.1366 -0.1087 -0.1087 0.0602 0.0602 0.1395 0.1395 0.1684 0.1684 0.2344 0.2344 0.2457 0.2457 3.4463 3.4463 7.0723 7.0723 7.4850 7.4850 k = 0.5000-0.2526 0.4338 ( 9612 PWs) bands (ev): -21.0241 -21.0241 -21.0240 -21.0240 -20.0213 -20.0213 -20.0210 -20.0210 -19.9288 -19.9288 -13.8665 -13.8665 -13.2429 -13.2429 -13.2220 -13.2220 -13.2145 -13.2145 -12.9433 -12.9433 -12.7399 -12.7399 -11.6400 -11.6400 -11.6240 -11.6240 -5.8706 -5.8706 -2.9941 -2.9941 -2.9219 -2.9219 -2.7626 -2.7626 -1.7895 -1.7895 -1.6756 -1.6756 -1.2697 -1.2697 -1.2533 -1.2533 -1.2181 -1.2181 -1.2055 -1.2055 -1.1039 -1.1039 -0.7747 -0.7747 -0.7498 -0.7498 -0.7070 -0.7070 -0.6718 -0.6718 -0.5460 -0.5460 -0.4825 -0.4825 -0.1304 -0.1304 -0.1064 -0.1064 0.0555 0.0555 0.1392 0.1392 0.1682 0.1682 0.2337 0.2337 0.2452 0.2452 3.4467 3.4467 7.0717 7.0717 7.4844 7.4844 k = 0.5000-0.2345 0.4465 ( 9624 PWs) bands (ev): -21.0241 -21.0241 -21.0240 -21.0240 -20.0213 -20.0213 -20.0211 -20.0211 -19.9288 -19.9288 -13.8664 -13.8664 -13.2428 -13.2428 -13.2230 -13.2230 -13.2154 -13.2154 -12.9402 -12.9402 -12.7415 -12.7415 -11.6398 -11.6398 -11.6242 -11.6242 -5.8705 -5.8705 -2.9951 -2.9951 -2.9223 -2.9223 -2.7649 -2.7649 -1.7856 -1.7856 -1.6670 -1.6670 -1.2730 -1.2730 -1.2632 -1.2632 -1.2172 -1.2172 -1.2097 -1.2097 -1.0946 -1.0946 -0.7868 -0.7868 -0.7517 -0.7517 -0.7010 -0.7010 -0.6564 -0.6564 -0.5523 -0.5523 -0.4889 -0.4889 -0.1206 -0.1206 -0.1025 -0.1025 0.0479 0.0479 0.1384 0.1384 0.1681 0.1681 0.2323 0.2323 0.2446 0.2446 3.4474 3.4474 7.0705 7.0705 7.4835 7.4835 k = 0.5000-0.2165 0.4593 ( 9620 PWs) bands (ev): -21.0241 -21.0241 -21.0240 -21.0240 -20.0213 -20.0213 -20.0211 -20.0211 -19.9288 -19.9288 -13.8661 -13.8661 -13.2427 -13.2427 -13.2244 -13.2244 -13.2163 -13.2163 -12.9359 -12.9359 -12.7437 -12.7437 -11.6395 -11.6395 -11.6245 -11.6245 -5.8703 -5.8703 -2.9966 -2.9966 -2.9225 -2.9225 -2.7681 -2.7681 -1.7800 -1.7800 -1.6554 -1.6554 -1.2897 -1.2897 -1.2643 -1.2643 -1.2161 -1.2161 -1.2115 -1.2115 -1.0861 -1.0861 -0.7956 -0.7956 -0.7543 -0.7543 -0.7025 -0.7025 -0.6329 -0.6329 -0.5609 -0.5609 -0.4969 -0.4969 -0.1079 -0.1079 -0.0971 -0.0971 0.0374 0.0374 0.1368 0.1368 0.1684 0.1684 0.2298 0.2298 0.2441 0.2441 3.4482 3.4482 7.0689 7.0689 7.4826 7.4826 k = 0.5000-0.1985 0.4720 ( 9612 PWs) bands (ev): -21.0241 -21.0241 -21.0240 -21.0240 -20.0213 -20.0213 -20.0211 -20.0211 -19.9288 -19.9288 -13.8659 -13.8659 -13.2427 -13.2427 -13.2262 -13.2262 -13.2172 -13.2172 -12.9307 -12.9307 -12.7465 -12.7465 -11.6392 -11.6392 -11.6248 -11.6248 -5.8701 -5.8701 -2.9987 -2.9987 -2.9222 -2.9222 -2.7721 -2.7721 -1.7730 -1.7730 -1.6410 -1.6410 -1.3121 -1.3121 -1.2629 -1.2629 -1.2151 -1.2151 -1.2113 -1.2113 -1.0798 -1.0798 -0.8009 -0.8009 -0.7574 -0.7574 -0.7072 -0.7072 -0.6059 -0.6059 -0.5715 -0.5715 -0.5058 -0.5058 -0.0929 -0.0929 -0.0904 -0.0904 0.0243 0.0243 0.1342 0.1342 0.1694 0.1694 0.2260 0.2260 0.2436 0.2436 3.4493 3.4493 7.0667 7.0667 7.4821 7.4821 k = 0.5000-0.1804 0.4848 ( 9614 PWs) bands (ev): -21.0241 -21.0241 -21.0240 -21.0240 -20.0212 -20.0212 -20.0211 -20.0211 -19.9288 -19.9288 -13.8655 -13.8655 -13.2428 -13.2428 -13.2283 -13.2283 -13.2181 -13.2181 -12.9246 -12.9246 -12.7499 -12.7499 -11.6388 -11.6388 -11.6252 -11.6252 -5.8699 -5.8699 -3.0015 -3.0015 -2.9214 -2.9214 -2.7767 -2.7767 -1.7644 -1.7644 -1.6241 -1.6241 -1.3368 -1.3368 -1.2612 -1.2612 -1.2140 -1.2140 -1.2098 -1.2098 -1.0762 -1.0762 -0.8027 -0.8027 -0.7608 -0.7608 -0.7134 -0.7134 -0.5841 -0.5841 -0.5770 -0.5770 -0.5147 -0.5147 -0.0827 -0.0827 -0.0761 -0.0761 0.0088 0.0088 0.1303 0.1303 0.1712 0.1712 0.2211 0.2211 0.2431 0.2431 3.4505 3.4505 7.0639 7.0639 7.4821 7.4821 k = 0.5000-0.1624 0.4976 ( 9620 PWs) bands (ev): -21.0241 -21.0241 -21.0240 -21.0240 -20.0212 -20.0212 -20.0211 -20.0211 -19.9288 -19.9288 -13.8652 -13.8652 -13.2432 -13.2432 -13.2303 -13.2303 -13.2189 -13.2189 -12.9178 -12.9178 -12.7537 -12.7537 -11.6383 -11.6383 -11.6257 -11.6257 -5.8697 -5.8697 -3.0049 -3.0049 -2.9198 -2.9198 -2.7820 -2.7820 -1.7542 -1.7542 -1.6053 -1.6053 -1.3626 -1.3626 -1.2597 -1.2597 -1.2129 -1.2129 -1.2074 -1.2074 -1.0755 -1.0755 -0.8015 -0.8015 -0.7641 -0.7641 -0.7204 -0.7204 -0.5968 -0.5968 -0.5523 -0.5523 -0.5199 -0.5199 -0.0738 -0.0738 -0.0584 -0.0584 -0.0088 -0.0088 0.1251 0.1251 0.1738 0.1738 0.2149 0.2149 0.2424 0.2424 3.4518 3.4518 7.0605 7.0605 7.4830 7.4830 k = 0.5000-0.1443 0.5103 ( 9610 PWs) bands (ev): -21.0241 -21.0241 -21.0240 -21.0240 -20.0212 -20.0212 -20.0211 -20.0211 -19.9288 -19.9288 -13.8649 -13.8649 -13.2440 -13.2440 -13.2319 -13.2319 -13.2198 -13.2198 -12.9106 -12.9106 -12.7581 -12.7581 -11.6377 -11.6377 -11.6262 -11.6262 -5.8694 -5.8694 -3.0087 -3.0087 -2.9175 -2.9175 -2.7878 -2.7878 -1.7426 -1.7426 -1.5851 -1.5851 -1.3889 -1.3889 -1.2588 -1.2588 -1.2116 -1.2116 -1.2042 -1.2042 -1.0775 -1.0775 -0.7981 -0.7981 -0.7670 -0.7670 -0.7274 -0.7274 -0.6102 -0.6102 -0.5477 -0.5477 -0.5043 -0.5043 -0.0643 -0.0643 -0.0402 -0.0402 -0.0280 -0.0280 0.1188 0.1188 0.1772 0.1772 0.2078 0.2078 0.2413 0.2413 3.4531 3.4531 7.0567 7.0567 7.4850 7.4850 k = 0.5000-0.1263 0.5231 ( 9618 PWs) bands (ev): -21.0241 -21.0241 -21.0240 -21.0240 -20.0212 -20.0212 -20.0211 -20.0211 -19.9288 -19.9288 -13.8645 -13.8645 -13.2453 -13.2453 -13.2330 -13.2330 -13.2206 -13.2206 -12.9031 -12.9031 -12.7628 -12.7628 -11.6371 -11.6371 -11.6268 -11.6268 -5.8692 -5.8692 -3.0129 -3.0129 -2.9144 -2.9144 -2.7940 -2.7940 -1.7296 -1.7296 -1.5642 -1.5642 -1.4151 -1.4151 -1.2589 -1.2589 -1.2102 -1.2102 -1.2002 -1.2002 -1.0818 -1.0818 -0.7942 -0.7942 -0.7685 -0.7685 -0.7337 -0.7337 -0.6235 -0.6235 -0.5571 -0.5571 -0.4745 -0.4745 -0.0575 -0.0575 -0.0462 -0.0462 -0.0212 -0.0212 0.1115 0.1115 0.1811 0.1811 0.1997 0.1997 0.2398 0.2398 3.4545 3.4545 7.0524 7.0524 7.4881 7.4881 k = 0.5000-0.1083 0.5358 ( 9622 PWs) bands (ev): -21.0241 -21.0241 -21.0240 -21.0240 -20.0212 -20.0212 -20.0211 -20.0211 -19.9288 -19.9288 -13.8642 -13.8642 -13.2470 -13.2470 -13.2335 -13.2335 -13.2214 -13.2214 -12.8955 -12.8955 -12.7677 -12.7677 -11.6365 -11.6365 -11.6274 -11.6274 -5.8689 -5.8689 -3.0170 -3.0170 -2.9107 -2.9107 -2.8004 -2.8004 -1.7151 -1.7151 -1.5437 -1.5437 -1.4403 -1.4403 -1.2603 -1.2603 -1.2090 -1.2090 -1.1953 -1.1953 -1.0879 -1.0879 -0.7921 -0.7921 -0.7683 -0.7683 -0.7374 -0.7374 -0.6361 -0.6361 -0.5693 -0.5693 -0.4422 -0.4422 -0.0752 -0.0752 -0.0406 -0.0406 -0.0027 -0.0027 0.1033 0.1033 0.1851 0.1851 0.1910 0.1910 0.2377 0.2377 3.4558 3.4558 7.0480 7.0480 7.4922 7.4922 k = 0.5000-0.0902 0.5486 ( 9612 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0212 -20.0212 -20.0211 -20.0211 -19.9288 -19.9288 -13.8638 -13.8638 -13.2488 -13.2488 -13.2335 -13.2335 -13.2221 -13.2221 -12.8880 -12.8880 -12.7728 -12.7728 -11.6358 -11.6358 -11.6281 -11.6281 -5.8687 -5.8687 -3.0210 -3.0210 -2.9065 -2.9065 -2.8068 -2.8068 -1.6992 -1.6992 -1.5262 -1.5262 -1.4627 -1.4627 -1.2632 -1.2632 -1.2078 -1.2078 -1.1894 -1.1894 -1.0953 -1.0953 -0.7922 -0.7922 -0.7683 -0.7683 -0.7358 -0.7358 -0.6477 -0.6477 -0.5825 -0.5825 -0.4091 -0.4091 -0.0997 -0.0997 -0.0295 -0.0295 0.0155 0.0155 0.0944 0.0944 0.1802 0.1802 0.1908 0.1908 0.2352 0.2352 3.4570 3.4570 7.0437 7.0437 7.4971 7.4971 k = 0.5000-0.0722 0.5613 ( 9620 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0212 -20.0212 -20.0211 -20.0211 -19.9288 -19.9288 -13.8636 -13.8636 -13.2506 -13.2506 -13.2333 -13.2333 -13.2229 -13.2229 -12.8809 -12.8809 -12.7779 -12.7779 -11.6351 -11.6351 -11.6288 -11.6288 -5.8685 -5.8685 -3.0246 -3.0246 -2.9021 -2.9021 -2.8130 -2.8130 -1.6821 -1.6821 -1.5202 -1.5202 -1.4741 -1.4741 -1.2674 -1.2674 -1.2068 -1.2068 -1.1828 -1.1828 -1.1036 -1.1036 -0.7936 -0.7936 -0.7706 -0.7706 -0.7284 -0.7284 -0.6578 -0.6578 -0.5962 -0.5962 -0.3758 -0.3758 -0.1260 -0.1260 -0.0178 -0.0178 0.0329 0.0329 0.0850 0.0850 0.1697 0.1697 0.1955 0.1955 0.2321 0.2321 3.4581 3.4581 7.0397 7.0397 7.5026 7.5026 k = 0.5000-0.0541 0.5741 ( 9626 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0212 -20.0212 -20.0211 -20.0211 -19.9288 -19.9288 -13.8633 -13.8633 -13.2521 -13.2521 -13.2330 -13.2330 -13.2236 -13.2236 -12.8746 -12.8746 -12.7825 -12.7825 -11.6343 -11.6343 -11.6296 -11.6296 -5.8684 -5.8684 -3.0276 -3.0276 -2.8979 -2.8979 -2.8186 -2.8186 -1.6637 -1.6637 -1.5337 -1.5337 -1.4675 -1.4675 -1.2725 -1.2725 -1.2060 -1.2060 -1.1756 -1.1756 -1.1123 -1.1123 -0.7952 -0.7952 -0.7740 -0.7740 -0.7173 -0.7173 -0.6663 -0.6663 -0.6099 -0.6099 -0.3426 -0.3426 -0.1537 -0.1537 -0.0062 -0.0062 0.0488 0.0488 0.0758 0.0758 0.1588 0.1588 0.2006 0.2006 0.2286 0.2286 3.4589 3.4589 7.0362 7.0362 7.5079 7.5079 k = 0.5000-0.0361 0.5869 ( 9620 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0212 -20.0212 -20.0211 -20.0211 -19.9288 -19.9288 -13.8632 -13.8632 -13.2533 -13.2533 -13.2327 -13.2327 -13.2241 -13.2241 -12.8695 -12.8695 -12.7864 -12.7864 -11.6335 -11.6335 -11.6304 -11.6304 -5.8682 -5.8682 -3.0298 -3.0298 -2.8943 -2.8943 -2.8232 -2.8232 -1.6443 -1.6443 -1.5549 -1.5549 -1.4559 -1.4559 -1.2776 -1.2776 -1.2055 -1.2055 -1.1683 -1.1683 -1.1208 -1.1208 -0.7963 -0.7963 -0.7772 -0.7772 -0.7050 -0.7050 -0.6730 -0.6730 -0.6229 -0.6229 -0.3098 -0.3098 -0.1825 -0.1825 0.0049 0.0049 0.0585 0.0585 0.0711 0.0711 0.1480 0.1480 0.2056 0.2056 0.2247 0.2247 3.4596 3.4596 7.0336 7.0336 7.5124 7.5124 k = 0.5000-0.0180 0.5996 ( 9632 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0212 -20.0212 -20.0211 -20.0211 -19.9288 -19.9288 -13.8631 -13.8631 -13.2540 -13.2540 -13.2324 -13.2324 -13.2245 -13.2245 -12.8662 -12.8662 -12.7891 -12.7891 -11.6327 -11.6327 -11.6311 -11.6311 -5.8682 -5.8682 -3.0312 -3.0312 -2.8918 -2.8918 -2.8264 -2.8264 -1.6244 -1.6244 -1.5767 -1.5767 -1.4471 -1.4471 -1.2815 -1.2815 -1.2051 -1.2051 -1.1619 -1.1619 -1.1279 -1.1279 -0.7970 -0.7970 -0.7794 -0.7794 -0.6935 -0.6935 -0.6783 -0.6783 -0.6334 -0.6334 -0.2780 -0.2780 -0.2119 -0.2119 0.0142 0.0142 0.0541 0.0541 0.0784 0.0784 0.1390 0.1390 0.2105 0.2105 0.2205 0.2205 3.4600 3.4600 7.0320 7.0320 7.5155 7.5155 k = 0.5000-0.0000 0.6124 ( 9620 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0212 -20.0212 -20.0211 -20.0211 -19.9288 -19.9288 -13.8630 -13.8630 -13.2543 -13.2543 -13.2323 -13.2323 -13.2246 -13.2246 -12.8650 -12.8650 -12.7900 -12.7900 -11.6320 -11.6320 -11.6319 -11.6319 -5.8681 -5.8681 -3.0317 -3.0317 -2.8909 -2.8909 -2.8275 -2.8275 -1.6098 -1.6098 -1.5920 -1.5920 -1.4439 -1.4439 -1.2830 -1.2830 -1.2050 -1.2050 -1.1590 -1.1590 -1.1311 -1.1311 -0.7972 -0.7972 -0.7802 -0.7802 -0.6859 -0.6859 -0.6830 -0.6830 -0.6377 -0.6377 -0.2545 -0.2545 -0.2346 -0.2346 0.0184 0.0184 0.0507 0.0507 0.0826 0.0826 0.1352 0.1352 0.2142 0.2142 0.2171 0.2171 3.4601 3.4601 7.0314 7.0314 7.5166 7.5166 k = 0.5000-0.0000 0.6124 ( 9620 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0212 -20.0212 -20.0211 -20.0211 -19.9288 -19.9288 -13.8630 -13.8630 -13.2543 -13.2543 -13.2323 -13.2323 -13.2246 -13.2246 -12.8650 -12.8650 -12.7900 -12.7900 -11.6320 -11.6320 -11.6319 -11.6319 -5.8681 -5.8681 -3.0317 -3.0317 -2.8909 -2.8909 -2.8275 -2.8275 -1.6098 -1.6098 -1.5920 -1.5920 -1.4439 -1.4439 -1.2830 -1.2830 -1.2050 -1.2050 -1.1590 -1.1590 -1.1311 -1.1311 -0.7972 -0.7972 -0.7802 -0.7802 -0.6859 -0.6859 -0.6830 -0.6830 -0.6377 -0.6377 -0.2545 -0.2545 -0.2346 -0.2346 0.0184 0.0184 0.0507 0.0507 0.0826 0.0826 0.1352 0.1352 0.2142 0.2142 0.2171 0.2171 3.4601 3.4601 7.0314 7.0314 7.5166 7.5166 k = 0.4896 0.0180 0.6124 ( 9622 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0212 -20.0212 -20.0211 -20.0211 -19.9288 -19.9288 -13.8631 -13.8631 -13.2552 -13.2552 -13.2320 -13.2320 -13.2237 -13.2237 -12.8654 -12.8654 -12.7896 -12.7896 -11.6325 -11.6325 -11.6314 -11.6314 -5.8683 -5.8683 -3.0331 -3.0331 -2.8904 -2.8904 -2.8263 -2.8263 -1.6179 -1.6179 -1.5837 -1.5837 -1.4452 -1.4452 -1.2834 -1.2834 -1.2121 -1.2121 -1.1572 -1.1572 -1.1244 -1.1244 -0.7982 -0.7982 -0.7790 -0.7790 -0.6949 -0.6949 -0.6782 -0.6782 -0.6318 -0.6318 -0.2679 -0.2679 -0.2215 -0.2215 0.0168 0.0168 0.0525 0.0525 0.0805 0.0805 0.1363 0.1363 0.2120 0.2120 0.2198 0.2198 3.4596 3.4596 7.0297 7.0297 7.5159 7.5159 k = 0.4792 0.0361 0.6124 ( 9622 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0212 -20.0212 -20.0211 -20.0211 -19.9288 -19.9288 -13.8634 -13.8634 -13.2576 -13.2576 -13.2318 -13.2318 -13.2210 -13.2210 -12.8666 -12.8666 -12.7886 -12.7886 -11.6329 -11.6329 -11.6309 -11.6309 -5.8689 -5.8689 -3.0375 -3.0375 -2.8887 -2.8887 -2.8234 -2.8234 -1.6307 -1.6307 -1.5705 -1.5705 -1.4488 -1.4488 -1.2850 -1.2850 -1.2269 -1.2269 -1.1552 -1.1552 -1.1074 -1.1074 -0.8003 -0.8003 -0.7759 -0.7759 -0.7056 -0.7056 -0.6807 -0.6807 -0.6146 -0.6146 -0.2879 -0.2879 -0.2024 -0.2024 0.0127 0.0127 0.0569 0.0569 0.0756 0.0756 0.1384 0.1384 0.2087 0.2087 0.2251 0.2251 3.4581 3.4581 7.0248 7.0248 7.5144 7.5144 k = 0.4688 0.0541 0.6124 ( 9625 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0212 -20.0212 -20.0211 -20.0211 -19.9288 -19.9288 -13.8638 -13.8638 -13.2606 -13.2606 -13.2320 -13.2320 -13.2169 -13.2169 -12.8685 -12.8685 -12.7871 -12.7871 -11.6334 -11.6334 -11.6304 -11.6304 -5.8697 -5.8697 -3.0442 -3.0442 -2.8855 -2.8855 -2.8194 -2.8194 -1.6432 -1.6432 -1.5570 -1.5570 -1.4540 -1.4540 -1.2883 -1.2883 -1.2441 -1.2441 -1.1519 -1.1519 -1.0864 -1.0864 -0.8025 -0.8025 -0.7714 -0.7714 -0.7165 -0.7165 -0.6872 -0.6872 -0.5921 -0.5921 -0.3084 -0.3084 -0.1835 -0.1835 0.0078 0.0078 0.0596 0.0596 0.0720 0.0720 0.1404 0.1404 0.2051 0.2051 0.2318 0.2318 3.4559 3.4559 7.0170 7.0170 7.5131 7.5131 k = 0.4583 0.0722 0.6124 ( 9634 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0212 -20.0212 -20.0211 -20.0211 -19.9288 -19.9288 -13.8643 -13.8643 -13.2638 -13.2638 -13.2323 -13.2323 -13.2122 -13.2122 -12.8708 -12.8708 -12.7852 -12.7852 -11.6338 -11.6338 -11.6300 -11.6300 -5.8707 -5.8707 -3.0524 -3.0524 -2.8812 -2.8812 -2.8148 -2.8148 -1.6550 -1.6550 -1.5439 -1.5439 -1.4598 -1.4598 -1.2933 -1.2933 -1.2620 -1.2620 -1.1465 -1.1465 -1.0645 -1.0645 -0.8045 -0.8045 -0.7661 -0.7661 -0.7274 -0.7274 -0.6947 -0.6947 -0.5679 -0.5679 -0.3287 -0.3287 -0.1655 -0.1655 0.0027 0.0027 0.0545 0.0545 0.0759 0.0759 0.1415 0.1415 0.2013 0.2013 0.2393 0.2393 3.4532 3.4532 7.0068 7.0068 7.5126 7.5126 k = 0.4479 0.0902 0.6124 ( 9633 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0212 -20.0212 -20.0211 -20.0211 -19.9288 -19.9288 -13.8649 -13.8649 -13.2669 -13.2669 -13.2327 -13.2327 -13.2074 -13.2074 -12.8734 -12.8734 -12.7832 -12.7832 -11.6342 -11.6342 -11.6295 -11.6295 -5.8718 -5.8718 -3.0613 -3.0613 -2.8763 -2.8763 -2.8098 -2.8098 -1.6657 -1.6657 -1.5317 -1.5317 -1.4650 -1.4650 -1.2998 -1.2998 -1.2795 -1.2795 -1.1397 -1.1397 -1.0427 -1.0427 -0.8060 -0.8060 -0.7612 -0.7612 -0.7377 -0.7377 -0.7018 -0.7018 -0.5440 -0.5440 -0.3484 -0.3484 -0.1488 -0.1488 -0.0022 -0.0022 0.0461 0.0461 0.0830 0.0830 0.1417 0.1417 0.1973 0.1973 0.2472 0.2472 3.4502 3.4502 6.9950 6.9950 7.5130 7.5130 k = 0.4375 0.1083 0.6124 ( 9622 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0212 -20.0212 -20.0211 -20.0211 -19.9288 -19.9288 -13.8654 -13.8654 -13.2697 -13.2697 -13.2330 -13.2330 -13.2027 -13.2027 -12.8761 -12.8761 -12.7812 -12.7812 -11.6345 -11.6345 -11.6292 -11.6292 -5.8730 -5.8730 -3.0702 -3.0702 -2.8713 -2.8713 -2.8047 -2.8047 -1.6753 -1.6753 -1.5214 -1.5214 -1.4683 -1.4683 -1.3088 -1.3088 -1.2949 -1.2949 -1.1322 -1.1322 -1.0216 -1.0216 -0.8070 -0.8070 -0.7605 -0.7605 -0.7443 -0.7443 -0.7074 -0.7074 -0.5212 -0.5212 -0.3672 -0.3672 -0.1336 -0.1336 -0.0065 -0.0065 0.0371 0.0371 0.0907 0.0907 0.1413 0.1413 0.1932 0.1932 0.2549 0.2549 3.4472 3.4472 6.9826 6.9826 7.5143 7.5143 k = 0.4271 0.1263 0.6124 ( 9628 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0212 -20.0212 -20.0211 -20.0211 -19.9288 -19.9288 -13.8659 -13.8659 -13.2723 -13.2723 -13.2334 -13.2334 -13.1984 -13.1984 -12.8787 -12.8787 -12.7793 -12.7793 -11.6348 -11.6348 -11.6288 -11.6288 -5.8741 -5.8741 -3.0785 -3.0785 -2.8668 -2.8668 -2.7998 -2.7998 -1.6835 -1.6835 -1.5145 -1.5145 -1.4677 -1.4677 -1.3224 -1.3224 -1.3051 -1.3051 -1.1249 -1.1249 -1.0015 -1.0015 -0.8080 -0.8080 -0.7674 -0.7674 -0.7449 -0.7449 -0.7102 -0.7102 -0.5005 -0.5005 -0.3846 -0.3846 -0.1201 -0.1201 -0.0104 -0.0104 0.0284 0.0284 0.0982 0.0982 0.1405 0.1405 0.1890 0.1890 0.2620 0.2620 3.4442 3.4442 6.9704 6.9704 7.5161 7.5161 k = 0.4167 0.1443 0.6124 ( 9634 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0212 -20.0212 -20.0211 -20.0211 -19.9288 -19.9288 -13.8664 -13.8664 -13.2744 -13.2744 -13.2337 -13.2337 -13.1946 -13.1946 -12.8810 -12.8810 -12.7776 -12.7776 -11.6351 -11.6351 -11.6286 -11.6286 -5.8750 -5.8750 -3.0857 -3.0857 -2.8629 -2.8629 -2.7954 -2.7954 -1.6904 -1.6904 -1.5120 -1.5120 -1.4619 -1.4619 -1.3386 -1.3386 -1.3116 -1.3116 -1.1182 -1.1182 -0.9829 -0.9829 -0.8094 -0.8094 -0.7761 -0.7761 -0.7457 -0.7457 -0.7092 -0.7092 -0.4826 -0.4826 -0.4001 -0.4001 -0.1087 -0.1087 -0.0135 -0.0135 0.0204 0.0204 0.1053 0.1053 0.1395 0.1395 0.1849 0.1849 0.2681 0.2681 3.4416 3.4416 6.9593 6.9593 7.5181 7.5181 k = 0.4062 0.1624 0.6124 ( 9632 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0212 -20.0212 -20.0211 -20.0211 -19.9288 -19.9288 -13.8668 -13.8668 -13.2761 -13.2761 -13.2339 -13.2339 -13.1915 -13.1915 -12.8830 -12.8830 -12.7762 -12.7762 -11.6352 -11.6352 -11.6283 -11.6283 -5.8758 -5.8758 -3.0916 -3.0916 -2.8598 -2.8598 -2.7915 -2.7915 -1.6958 -1.6958 -1.5124 -1.5124 -1.4521 -1.4521 -1.3551 -1.3551 -1.3164 -1.3164 -1.1128 -1.1128 -0.9663 -0.9663 -0.8125 -0.8125 -0.7828 -0.7828 -0.7484 -0.7484 -0.7055 -0.7055 -0.4682 -0.4682 -0.4129 -0.4129 -0.0996 -0.0996 -0.0160 -0.0160 0.0136 0.0136 0.1115 0.1115 0.1385 0.1385 0.1810 0.1810 0.2732 0.2732 3.4394 3.4394 6.9499 6.9499 7.5200 7.5200 k = 0.3958 0.1804 0.6124 ( 9629 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0212 -20.0212 -20.0211 -20.0211 -19.9288 -19.9288 -13.8671 -13.8671 -13.2773 -13.2773 -13.2341 -13.2341 -13.1893 -13.1893 -12.8845 -12.8845 -12.7752 -12.7752 -11.6354 -11.6354 -11.6282 -11.6282 -5.8764 -5.8764 -3.0959 -3.0959 -2.8575 -2.8575 -2.7886 -2.7886 -1.6997 -1.6997 -1.5138 -1.5138 -1.4404 -1.4404 -1.3707 -1.3707 -1.3198 -1.3198 -1.1087 -1.1087 -0.9528 -0.9528 -0.8174 -0.8174 -0.7861 -0.7861 -0.7517 -0.7517 -0.7012 -0.7012 -0.4580 -0.4580 -0.4221 -0.4221 -0.0929 -0.0929 -0.0178 -0.0178 0.0084 0.0084 0.1166 0.1166 0.1376 0.1376 0.1777 0.1777 0.2769 0.2769 3.4377 3.4377 6.9429 6.9429 7.5216 7.5216 k = 0.3854 0.1985 0.6124 ( 9622 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0212 -20.0212 -20.0211 -20.0211 -19.9288 -19.9288 -13.8673 -13.8673 -13.2781 -13.2781 -13.2342 -13.2342 -13.1879 -13.1879 -12.8854 -12.8854 -12.7746 -12.7746 -11.6355 -11.6355 -11.6281 -11.6281 -5.8768 -5.8768 -3.0986 -3.0986 -2.8562 -2.8562 -2.7868 -2.7868 -1.7021 -1.7021 -1.5150 -1.5150 -1.4290 -1.4290 -1.3843 -1.3843 -1.3219 -1.3219 -1.1062 -1.1062 -0.9435 -0.9435 -0.8221 -0.8221 -0.7870 -0.7870 -0.7543 -0.7543 -0.6980 -0.6980 -0.4525 -0.4525 -0.4272 -0.4272 -0.0888 -0.0888 -0.0188 -0.0188 0.0051 0.0051 0.1199 0.1199 0.1371 0.1371 0.1754 0.1754 0.2791 0.2791 3.4367 3.4367 6.9384 6.9384 7.5226 7.5226 k = 0.3750 0.2165 0.6124 ( 9631 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0212 -20.0212 -20.0211 -20.0211 -19.9288 -19.9288 -13.8673 -13.8673 -13.2783 -13.2783 -13.2342 -13.2342 -13.1874 -13.1874 -12.8857 -12.8857 -12.7744 -12.7744 -11.6355 -11.6355 -11.6281 -11.6281 -5.8769 -5.8769 -3.0995 -3.0995 -2.8557 -2.8557 -2.7862 -2.7862 -1.7029 -1.7029 -1.5154 -1.5154 -1.4230 -1.4230 -1.3909 -1.3909 -1.3226 -1.3226 -1.1053 -1.1053 -0.9402 -0.9402 -0.8241 -0.8241 -0.7871 -0.7871 -0.7553 -0.7553 -0.6968 -0.6968 -0.4510 -0.4510 -0.4286 -0.4286 -0.0874 -0.0874 -0.0192 -0.0192 0.0040 0.0040 0.1211 0.1211 0.1369 0.1369 0.1745 0.1745 0.2799 0.2799 3.4364 3.4364 6.9369 6.9369 7.5229 7.5229 k = 0.3750 0.2165 0.6124 ( 9631 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0212 -20.0212 -20.0211 -20.0211 -19.9288 -19.9288 -13.8673 -13.8673 -13.2783 -13.2783 -13.2342 -13.2342 -13.1874 -13.1874 -12.8857 -12.8857 -12.7744 -12.7744 -11.6355 -11.6355 -11.6281 -11.6281 -5.8769 -5.8769 -3.0995 -3.0995 -2.8557 -2.8557 -2.7862 -2.7862 -1.7029 -1.7029 -1.5154 -1.5154 -1.4230 -1.4230 -1.3909 -1.3909 -1.3226 -1.3226 -1.1053 -1.1053 -0.9402 -0.9402 -0.8241 -0.8241 -0.7871 -0.7871 -0.7553 -0.7553 -0.6968 -0.6968 -0.4510 -0.4510 -0.4286 -0.4286 -0.0874 -0.0874 -0.0192 -0.0192 0.0040 0.0040 0.1211 0.1211 0.1369 0.1369 0.1745 0.1745 0.2799 0.2799 3.4364 3.4364 6.9369 6.9369 7.5229 7.5229 k = 0.3640 0.2101 0.5944 ( 9633 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0212 -20.0212 -20.0211 -20.0211 -19.9288 -19.9288 -13.8685 -13.8685 -13.2846 -13.2846 -13.2333 -13.2333 -13.1827 -13.1827 -12.8778 -12.8778 -12.7797 -12.7797 -11.6347 -11.6347 -11.6287 -11.6287 -5.8799 -5.8799 -3.1160 -3.1160 -2.8570 -2.8570 -2.7768 -2.7768 -1.6890 -1.6890 -1.5024 -1.5024 -1.4406 -1.4406 -1.4133 -1.4133 -1.3349 -1.3349 -1.0826 -1.0826 -0.9239 -0.9239 -0.8259 -0.8259 -0.8130 -0.8130 -0.7569 -0.7569 -0.6872 -0.6872 -0.4400 -0.4400 -0.4036 -0.4036 -0.1072 -0.1072 -0.0053 -0.0053 0.0186 0.0186 0.1173 0.1173 0.1225 0.1225 0.1770 0.1770 0.2841 0.2841 3.4294 3.4294 6.9077 6.9077 7.5210 7.5210 k = 0.3529 0.2038 0.5764 ( 9621 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0212 -20.0212 -20.0211 -20.0211 -19.9288 -19.9288 -13.8700 -13.8700 -13.2904 -13.2904 -13.2323 -13.2323 -13.1780 -13.1780 -12.8699 -12.8699 -12.7852 -12.7852 -11.6339 -11.6339 -11.6293 -11.6293 -5.8837 -5.8837 -3.1320 -3.1320 -2.8625 -2.8625 -2.7642 -2.7642 -1.6751 -1.6751 -1.5067 -1.5067 -1.4448 -1.4448 -1.4334 -1.4334 -1.3470 -1.3470 -1.0585 -1.0585 -0.9103 -0.9103 -0.8479 -0.8479 -0.8147 -0.8147 -0.7576 -0.7576 -0.6744 -0.6744 -0.4306 -0.4306 -0.3773 -0.3773 -0.1270 -0.1270 0.0092 0.0092 0.0324 0.0324 0.1057 0.1057 0.1165 0.1165 0.1797 0.1797 0.2882 0.2882 3.4203 3.4203 6.8776 6.8776 7.5138 7.5138 k = 0.3419 0.1974 0.5583 ( 9613 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0212 -20.0212 -20.0211 -20.0211 -19.9288 -19.9288 -13.8720 -13.8720 -13.2956 -13.2956 -13.2313 -13.2313 -13.1733 -13.1733 -12.8621 -12.8621 -12.7905 -12.7905 -11.6331 -11.6331 -11.6299 -11.6299 -5.8883 -5.8883 -3.1472 -3.1472 -2.8705 -2.8705 -2.7505 -2.7505 -1.6619 -1.6619 -1.5264 -1.5264 -1.4618 -1.4618 -1.4270 -1.4270 -1.3583 -1.3583 -1.0334 -1.0334 -0.9036 -0.9036 -0.8671 -0.8671 -0.8105 -0.8105 -0.7575 -0.7575 -0.6584 -0.6584 -0.4219 -0.4219 -0.3510 -0.3510 -0.1464 -0.1464 0.0239 0.0239 0.0443 0.0443 0.0925 0.0925 0.1140 0.1140 0.1827 0.1827 0.2921 0.2921 3.4089 3.4089 6.8475 6.8475 7.5013 7.5013 k = 0.3309 0.1910 0.5403 ( 9631 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0212 -20.0212 -20.0211 -20.0211 -19.9288 -19.9288 -13.8745 -13.8745 -13.3000 -13.3000 -13.2302 -13.2302 -13.1687 -13.1687 -12.8543 -12.8543 -12.7957 -12.7957 -11.6322 -11.6322 -11.6305 -11.6305 -5.8939 -5.8939 -3.1614 -3.1614 -2.8801 -2.8801 -2.7371 -2.7371 -1.6502 -1.6502 -1.5512 -1.5512 -1.4853 -1.4853 -1.4107 -1.4107 -1.3681 -1.3681 -1.0077 -1.0077 -0.9124 -0.9124 -0.8693 -0.8693 -0.8052 -0.8052 -0.7564 -0.7564 -0.6390 -0.6390 -0.4137 -0.4137 -0.3252 -0.3252 -0.1648 -0.1648 0.0381 0.0381 0.0516 0.0516 0.0845 0.0845 0.1122 0.1122 0.1859 0.1859 0.2958 0.2958 3.3948 3.3948 6.8179 6.8179 7.4845 7.4845 k = 0.3199 0.1847 0.5223 ( 9623 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0212 -20.0212 -20.0211 -20.0211 -19.9288 -19.9288 -13.8775 -13.8775 -13.3037 -13.3037 -13.2291 -13.2291 -13.1643 -13.1643 -12.8468 -12.8468 -12.8006 -12.8006 -11.6313 -11.6313 -11.6311 -11.6311 -5.9005 -5.9005 -3.1744 -3.1744 -2.8908 -2.8908 -2.7251 -2.7251 -1.6415 -1.6415 -1.5765 -1.5765 -1.5094 -1.5094 -1.3939 -1.3939 -1.3757 -1.3757 -0.9821 -0.9821 -0.9274 -0.9274 -0.8620 -0.8620 -0.7993 -0.7993 -0.7545 -0.7545 -0.6166 -0.6166 -0.4063 -0.4063 -0.3000 -0.3000 -0.1819 -0.1819 0.0429 0.0429 0.0575 0.0575 0.0873 0.0873 0.1109 0.1109 0.1893 0.1893 0.2994 0.2994 3.3780 3.3780 6.7894 6.7894 7.4639 7.4639 k = 0.3088 0.1783 0.5043 ( 9625 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0212 -20.0212 -20.0211 -20.0211 -19.9288 -19.9288 -13.8811 -13.8811 -13.3065 -13.3065 -13.2279 -13.2279 -13.1603 -13.1603 -12.8394 -12.8394 -12.8051 -12.8051 -11.6317 -11.6317 -11.6303 -11.6303 -5.9081 -5.9081 -3.1860 -3.1860 -2.9022 -2.9022 -2.7154 -2.7154 -1.6395 -1.6395 -1.5988 -1.5988 -1.5339 -1.5339 -1.3826 -1.3826 -1.3753 -1.3753 -0.9602 -0.9602 -0.9362 -0.9362 -0.8533 -0.8533 -0.7928 -0.7928 -0.7517 -0.7517 -0.5913 -0.5913 -0.4001 -0.4001 -0.2757 -0.2757 -0.1968 -0.1968 0.0334 0.0334 0.0716 0.0716 0.0968 0.0968 0.1103 0.1103 0.1929 0.1929 0.3028 0.3028 3.3582 3.3582 6.7623 6.7623 7.4404 7.4404 k = 0.2978 0.1719 0.4863 ( 9639 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0212 -20.0212 -20.0211 -20.0211 -19.9288 -19.9288 -13.8852 -13.8852 -13.3084 -13.3084 -13.2268 -13.2268 -13.1566 -13.1566 -12.8323 -12.8323 -12.8091 -12.8091 -11.6322 -11.6322 -11.6294 -11.6294 -5.9169 -5.9169 -3.1962 -3.1962 -2.9141 -2.9141 -2.7086 -2.7086 -1.6507 -1.6507 -1.6123 -1.6123 -1.5584 -1.5584 -1.3832 -1.3832 -1.3597 -1.3597 -0.9563 -0.9563 -0.9229 -0.9229 -0.8445 -0.8445 -0.7859 -0.7859 -0.7480 -0.7480 -0.5637 -0.5637 -0.3958 -0.3958 -0.2530 -0.2530 -0.2082 -0.2082 0.0219 0.0219 0.0865 0.0865 0.1080 0.1080 0.1106 0.1106 0.1965 0.1965 0.3060 0.3060 3.3354 3.3354 6.7371 6.7371 7.4146 7.4146 k = 0.2868 0.1656 0.4683 ( 9635 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0212 -20.0212 -20.0211 -20.0211 -19.9288 -19.9288 -13.8899 -13.8899 -13.3094 -13.3094 -13.2256 -13.2256 -13.1535 -13.1535 -12.8254 -12.8254 -12.8125 -12.8125 -11.6327 -11.6327 -11.6284 -11.6284 -5.9267 -5.9267 -3.2048 -3.2048 -2.9264 -2.9264 -2.7053 -2.7053 -1.6729 -1.6729 -1.6205 -1.6205 -1.5820 -1.5820 -1.3809 -1.3809 -1.3425 -1.3425 -0.9582 -0.9582 -0.9000 -0.9000 -0.8350 -0.8350 -0.7787 -0.7787 -0.7435 -0.7435 -0.5340 -0.5340 -0.3940 -0.3940 -0.2354 -0.2354 -0.2119 -0.2119 0.0109 0.0109 0.1003 0.1003 0.1127 0.1127 0.1195 0.1195 0.2003 0.2003 0.3090 0.3090 3.3095 3.3095 6.7139 6.7139 7.3869 7.3869 k = 0.2757 0.1592 0.4503 ( 9631 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0212 -20.0212 -20.0211 -20.0211 -19.9288 -19.9288 -13.8951 -13.8951 -13.3094 -13.3094 -13.2245 -13.2245 -13.1510 -13.1510 -12.8188 -12.8188 -12.8152 -12.8152 -11.6332 -11.6332 -11.6275 -11.6275 -5.9376 -5.9376 -3.2120 -3.2120 -2.9390 -2.9390 -2.7057 -2.7057 -1.6984 -1.6984 -1.6329 -1.6329 -1.6034 -1.6034 -1.3745 -1.3745 -1.3239 -1.3239 -0.9566 -0.9566 -0.8783 -0.8783 -0.8240 -0.8240 -0.7712 -0.7712 -0.7382 -0.7382 -0.5027 -0.5027 -0.3954 -0.3954 -0.2310 -0.2310 -0.1990 -0.1990 0.0015 0.0015 0.1085 0.1085 0.1209 0.1209 0.1309 0.1309 0.2042 0.2042 0.3118 0.3118 3.2805 3.2805 6.6930 6.6930 7.3578 7.3578 k = 0.2647 0.1528 0.4323 ( 9629 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0211 -20.0211 -20.0211 -20.0211 -19.9288 -19.9288 -13.9008 -13.9008 -13.3086 -13.3086 -13.2234 -13.2234 -13.1492 -13.1492 -12.8170 -12.8170 -12.8124 -12.8124 -11.6336 -11.6336 -11.6265 -11.6265 -5.9495 -5.9495 -3.2176 -3.2176 -2.9518 -2.9518 -2.7101 -2.7101 -1.7244 -1.7244 -1.6522 -1.6522 -1.6222 -1.6222 -1.3636 -1.3636 -1.3032 -1.3032 -0.9509 -0.9509 -0.8604 -0.8604 -0.8102 -0.8102 -0.7637 -0.7637 -0.7320 -0.7320 -0.4702 -0.4702 -0.4000 -0.4000 -0.2301 -0.2301 -0.1792 -0.1792 -0.0059 -0.0059 0.1118 0.1118 0.1345 0.1345 0.1420 0.1420 0.2081 0.2081 0.3144 0.3144 3.2484 3.2484 6.6744 6.6744 7.3276 7.3276 k = 0.2537 0.1465 0.4143 ( 9633 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0211 -20.0211 -20.0211 -20.0211 -19.9288 -19.9288 -13.9070 -13.9070 -13.3069 -13.3069 -13.2223 -13.2223 -13.1481 -13.1481 -12.8181 -12.8181 -12.8063 -12.8063 -11.6339 -11.6339 -11.6255 -11.6255 -5.9624 -5.9624 -3.2217 -3.2217 -2.9646 -2.9646 -2.7185 -2.7185 -1.7503 -1.7503 -1.6759 -1.6759 -1.6412 -1.6412 -1.3483 -1.3483 -1.2802 -1.2802 -0.9417 -0.9417 -0.8470 -0.8470 -0.7934 -0.7934 -0.7560 -0.7560 -0.7250 -0.7250 -0.4372 -0.4372 -0.4074 -0.4074 -0.2263 -0.2263 -0.1590 -0.1590 -0.0109 -0.0109 0.1148 0.1148 0.1488 0.1488 0.1528 0.1528 0.2121 0.2121 0.3168 0.3168 3.2134 3.2134 6.6580 6.6580 7.2966 7.2966 k = 0.2426 0.1401 0.3962 ( 9627 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0211 -20.0211 -20.0211 -20.0211 -19.9288 -19.9288 -13.9136 -13.9136 -13.3044 -13.3044 -13.2212 -13.2212 -13.1478 -13.1478 -12.8182 -12.8182 -12.8006 -12.8006 -11.6342 -11.6342 -11.6245 -11.6245 -5.9763 -5.9763 -3.2244 -3.2244 -2.9774 -2.9774 -2.7308 -2.7308 -1.7758 -1.7758 -1.7015 -1.7015 -1.6621 -1.6621 -1.3286 -1.3286 -1.2551 -1.2551 -0.9298 -0.9298 -0.8370 -0.8370 -0.7753 -0.7753 -0.7482 -0.7482 -0.7172 -0.7172 -0.4194 -0.4194 -0.4013 -0.4013 -0.2194 -0.2194 -0.1391 -0.1391 -0.0131 -0.0131 0.1182 0.1182 0.1620 0.1620 0.1642 0.1642 0.2161 0.2161 0.3191 0.3191 3.1756 3.1756 6.6439 6.6439 7.2651 7.2651 k = 0.2316 0.1337 0.3782 ( 9627 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0211 -20.0211 -20.0211 -20.0211 -19.9288 -19.9288 -13.9205 -13.9205 -13.3012 -13.3012 -13.2202 -13.2202 -13.1482 -13.1482 -12.8175 -12.8175 -12.7951 -12.7951 -11.6344 -11.6344 -11.6236 -11.6236 -5.9909 -5.9909 -3.2258 -3.2258 -2.9901 -2.9901 -2.7465 -2.7465 -1.8007 -1.8007 -1.7278 -1.7278 -1.6852 -1.6852 -1.3048 -1.3048 -1.2279 -1.2279 -0.9159 -0.9159 -0.8291 -0.8291 -0.7579 -0.7579 -0.7399 -0.7399 -0.7085 -0.7085 -0.4304 -0.4304 -0.3679 -0.3679 -0.2098 -0.2098 -0.1200 -0.1200 -0.0122 -0.0122 0.1222 0.1222 0.1724 0.1724 0.1775 0.1775 0.2201 0.2201 0.3212 0.3212 3.1353 3.1353 6.6319 6.6319 7.2334 7.2334 k = 0.2206 0.1274 0.3602 ( 9613 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0211 -20.0211 -20.0211 -20.0211 -19.9288 -19.9288 -13.9276 -13.9276 -13.2973 -13.2973 -13.2191 -13.2191 -13.1494 -13.1494 -12.8160 -12.8160 -12.7899 -12.7899 -11.6346 -11.6346 -11.6226 -11.6226 -6.0062 -6.0062 -3.2260 -3.2260 -3.0027 -3.0027 -2.7654 -2.7654 -1.8248 -1.8248 -1.7543 -1.7543 -1.7101 -1.7101 -1.2774 -1.2774 -1.1990 -1.1990 -0.9006 -0.9006 -0.8222 -0.8222 -0.7434 -0.7434 -0.7303 -0.7303 -0.6989 -0.6989 -0.4431 -0.4431 -0.3338 -0.3338 -0.1980 -0.1980 -0.1017 -0.1017 -0.0081 -0.0081 0.1267 0.1267 0.1820 0.1820 0.1909 0.1909 0.2241 0.2241 0.3231 0.3231 3.0926 3.0926 6.6218 6.6218 7.2018 7.2018 k = 0.2096 0.1210 0.3422 ( 9603 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0211 -20.0211 -20.0211 -20.0211 -19.9288 -19.9288 -13.9350 -13.9350 -13.2928 -13.2928 -13.2182 -13.2182 -13.1513 -13.1513 -12.8136 -12.8136 -12.7850 -12.7850 -11.6347 -11.6347 -11.6216 -11.6216 -6.0221 -6.0221 -3.2252 -3.2252 -3.0150 -3.0150 -2.7869 -2.7869 -1.8481 -1.8481 -1.7808 -1.7808 -1.7360 -1.7360 -1.2469 -1.2469 -1.1688 -1.1688 -0.8843 -0.8843 -0.8159 -0.8159 -0.7326 -0.7326 -0.7193 -0.7193 -0.6885 -0.6885 -0.4563 -0.4563 -0.3001 -0.3001 -0.1844 -0.1844 -0.0842 -0.0842 -0.0006 -0.0006 0.1319 0.1319 0.1910 0.1910 0.2039 0.2039 0.2281 0.2281 0.3249 0.3249 3.0479 3.0479 6.6132 6.6132 7.1705 7.1705 k = 0.1985 0.1146 0.3242 ( 9589 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0211 -20.0211 -20.0211 -20.0211 -19.9289 -19.9289 -13.9425 -13.9425 -13.2878 -13.2878 -13.2172 -13.2172 -13.1538 -13.1538 -12.8105 -12.8105 -12.7804 -12.7804 -11.6347 -11.6347 -11.6207 -11.6207 -6.0384 -6.0384 -3.2235 -3.2235 -3.0270 -3.0270 -2.8105 -2.8105 -1.8706 -1.8706 -1.8070 -1.8070 -1.7625 -1.7625 -1.2138 -1.2138 -1.1376 -1.1376 -0.8676 -0.8676 -0.8099 -0.8099 -0.7243 -0.7243 -0.7082 -0.7082 -0.6779 -0.6779 -0.4696 -0.4696 -0.2671 -0.2671 -0.1693 -0.1693 -0.0676 -0.0676 0.0101 0.0101 0.1377 0.1377 0.1995 0.1995 0.2163 0.2163 0.2320 0.2320 0.3265 0.3265 3.0014 3.0014 6.6060 6.6060 7.1398 7.1398 k = 0.1875 0.1083 0.3062 ( 9603 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0211 -20.0211 -20.0211 -20.0211 -19.9289 -19.9289 -13.9500 -13.9500 -13.2824 -13.2824 -13.2163 -13.2163 -13.1568 -13.1568 -12.8068 -12.8068 -12.7762 -12.7762 -11.6347 -11.6347 -11.6198 -11.6198 -6.0551 -6.0551 -3.2211 -3.2211 -3.0387 -3.0387 -2.8356 -2.8356 -1.8921 -1.8921 -1.8328 -1.8328 -1.7891 -1.7891 -1.1790 -1.1790 -1.1058 -1.1058 -0.8505 -0.8505 -0.8041 -0.8041 -0.7169 -0.7169 -0.6980 -0.6980 -0.6675 -0.6675 -0.4828 -0.4828 -0.2352 -0.2352 -0.1528 -0.1528 -0.0518 -0.0518 0.0240 0.0240 0.1440 0.1440 0.2076 0.2076 0.2281 0.2281 0.2358 0.2358 0.3280 0.3280 2.9536 2.9536 6.5997 6.5997 7.1101 7.1101 k = 0.1765 0.1019 0.2882 ( 9603 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0211 -20.0211 -20.0211 -20.0211 -19.9289 -19.9289 -13.9575 -13.9575 -13.2768 -13.2768 -13.2155 -13.2155 -13.1603 -13.1603 -12.8026 -12.8026 -12.7722 -12.7722 -11.6347 -11.6347 -11.6189 -11.6189 -6.0718 -6.0718 -3.2181 -3.2181 -3.0499 -3.0499 -2.8618 -2.8618 -1.9127 -1.9127 -1.8580 -1.8580 -1.8153 -1.8153 -1.1429 -1.1429 -1.0736 -1.0736 -0.8335 -0.8335 -0.7984 -0.7984 -0.7101 -0.7101 -0.6889 -0.6889 -0.6580 -0.6580 -0.4954 -0.4954 -0.2049 -0.2049 -0.1349 -0.1349 -0.0368 -0.0368 0.0407 0.0407 0.1509 0.1509 0.2152 0.2152 0.2392 0.2392 0.2397 0.2397 0.3295 0.3295 2.9048 2.9048 6.5941 6.5941 7.0816 7.0816 k = 0.1654 0.0955 0.2702 ( 9605 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0211 -20.0211 -20.0211 -20.0211 -19.9289 -19.9289 -13.9649 -13.9649 -13.2709 -13.2709 -13.2147 -13.2147 -13.1641 -13.1641 -12.7979 -12.7979 -12.7685 -12.7685 -11.6346 -11.6346 -11.6180 -11.6180 -6.0886 -6.0886 -3.2148 -3.2148 -3.0606 -3.0606 -2.8885 -2.8885 -1.9323 -1.9323 -1.8826 -1.8826 -1.8408 -1.8408 -1.1063 -1.1063 -1.0415 -1.0415 -0.8167 -0.8167 -0.7927 -0.7927 -0.7037 -0.7037 -0.6807 -0.6807 -0.6495 -0.6495 -0.5074 -0.5074 -0.1766 -0.1766 -0.1158 -0.1158 -0.0226 -0.0226 0.0598 0.0598 0.1584 0.1584 0.2223 0.2223 0.2431 0.2431 0.2499 0.2499 0.3308 0.3308 2.8554 2.8554 6.5887 6.5887 7.0545 7.0545 k = 0.1544 0.0891 0.2522 ( 9603 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0211 -20.0211 -20.0211 -20.0211 -19.9289 -19.9289 -13.9722 -13.9722 -13.2649 -13.2649 -13.2140 -13.2140 -13.1682 -13.1682 -12.7930 -12.7930 -12.7652 -12.7652 -11.6344 -11.6344 -11.6171 -11.6171 -6.1051 -6.1051 -3.2113 -3.2113 -3.0707 -3.0707 -2.9152 -2.9152 -1.9508 -1.9508 -1.9063 -1.9063 -1.8654 -1.8654 -1.0698 -1.0698 -1.0096 -1.0096 -0.8001 -0.8001 -0.7870 -0.7870 -0.6978 -0.6978 -0.6733 -0.6733 -0.6423 -0.6423 -0.5186 -0.5186 -0.1506 -0.1506 -0.0954 -0.0954 -0.0093 -0.0093 0.0809 0.0809 0.1663 0.1663 0.2289 0.2289 0.2467 0.2467 0.2597 0.2597 0.3322 0.3322 2.8058 2.8058 6.5832 6.5832 7.0293 7.0293 k = 0.1434 0.0828 0.2341 ( 9591 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0211 -20.0211 -20.0211 -20.0211 -19.9289 -19.9289 -13.9792 -13.9792 -13.2589 -13.2589 -13.2133 -13.2133 -13.1724 -13.1724 -12.7878 -12.7878 -12.7621 -12.7621 -11.6342 -11.6342 -11.6163 -11.6163 -6.1213 -6.1213 -3.2079 -3.2079 -3.0801 -3.0801 -2.9416 -2.9416 -1.9683 -1.9683 -1.9290 -1.9290 -1.8887 -1.8887 -1.0341 -1.0341 -0.9782 -0.9782 -0.7842 -0.7842 -0.7811 -0.7811 -0.6923 -0.6923 -0.6666 -0.6666 -0.6361 -0.6361 -0.5289 -0.5289 -0.1269 -0.1269 -0.0742 -0.0742 0.0033 0.0033 0.1034 0.1034 0.1747 0.1747 0.2351 0.2351 0.2500 0.2500 0.2689 0.2689 0.3334 0.3334 2.7566 2.7566 6.5771 6.5771 7.0061 7.0061 k = 0.1324 0.0764 0.2161 ( 9603 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0211 -20.0211 -20.0211 -20.0211 -19.9289 -19.9289 -13.9859 -13.9859 -13.2530 -13.2530 -13.2126 -13.2126 -13.1766 -13.1766 -12.7826 -12.7826 -12.7593 -12.7593 -11.6340 -11.6340 -11.6155 -11.6155 -6.1370 -6.1370 -3.2046 -3.2046 -3.0888 -3.0888 -2.9672 -2.9672 -1.9847 -1.9847 -1.9506 -1.9506 -1.9107 -1.9107 -0.9999 -0.9999 -0.9476 -0.9476 -0.7757 -0.7757 -0.7682 -0.7682 -0.6873 -0.6873 -0.6607 -0.6607 -0.6310 -0.6310 -0.5380 -0.5380 -0.1055 -0.1055 -0.0527 -0.0527 0.0151 0.0151 0.1268 0.1268 0.1836 0.1836 0.2408 0.2408 0.2533 0.2533 0.2773 0.2773 0.3347 0.3347 2.7082 2.7082 6.5704 6.5704 6.9852 6.9852 k = 0.1213 0.0700 0.1981 ( 9601 PWs) bands (ev): -21.0241 -21.0241 -21.0240 -21.0240 -20.0211 -20.0211 -20.0211 -20.0211 -19.9289 -19.9289 -13.9923 -13.9923 -13.2472 -13.2472 -13.2120 -13.2120 -13.1807 -13.1807 -12.7775 -12.7775 -12.7567 -12.7567 -11.6338 -11.6338 -11.6148 -11.6148 -6.1521 -6.1521 -3.2018 -3.2018 -3.0966 -3.0966 -2.9916 -2.9916 -2.0000 -2.0000 -1.9710 -1.9710 -1.9312 -1.9312 -0.9678 -0.9678 -0.9179 -0.9179 -0.7698 -0.7698 -0.7533 -0.7533 -0.6828 -0.6828 -0.6555 -0.6555 -0.6269 -0.6269 -0.5457 -0.5457 -0.0859 -0.0859 -0.0316 -0.0316 0.0261 0.0261 0.1506 0.1506 0.1929 0.1929 0.2460 0.2460 0.2564 0.2564 0.2851 0.2851 0.3360 0.3360 2.6609 2.6609 6.5626 6.5626 6.9667 6.9667 k = 0.1103 0.0637 0.1801 ( 9587 PWs) bands (ev): -21.0241 -21.0241 -21.0240 -21.0240 -20.0211 -20.0211 -20.0211 -20.0211 -19.9289 -19.9289 -13.9983 -13.9983 -13.2418 -13.2418 -13.2114 -13.2114 -13.1848 -13.1848 -12.7724 -12.7724 -12.7544 -12.7544 -11.6336 -11.6336 -11.6141 -11.6141 -6.1664 -6.1664 -3.1996 -3.1996 -3.1035 -3.1035 -3.0145 -3.0145 -2.0142 -2.0142 -1.9900 -1.9900 -1.9501 -1.9501 -0.9383 -0.9383 -0.8894 -0.8894 -0.7637 -0.7637 -0.7392 -0.7392 -0.6790 -0.6790 -0.6510 -0.6510 -0.6236 -0.6236 -0.5521 -0.5521 -0.0679 -0.0679 -0.0115 -0.0115 0.0364 0.0364 0.1740 0.1740 0.2025 0.2025 0.2508 0.2508 0.2593 0.2593 0.2922 0.2922 0.3373 0.3373 2.6155 2.6155 6.5537 6.5537 6.9507 6.9507 k = 0.0993 0.0573 0.1621 ( 9601 PWs) bands (ev): -21.0241 -21.0241 -21.0240 -21.0240 -20.0211 -20.0211 -20.0211 -20.0211 -19.9289 -19.9289 -14.0039 -14.0039 -13.2367 -13.2367 -13.2108 -13.2108 -13.1885 -13.1885 -12.7676 -12.7676 -12.7524 -12.7524 -11.6334 -11.6334 -11.6135 -11.6135 -6.1798 -6.1798 -3.1982 -3.1982 -3.1093 -3.1093 -3.0356 -3.0356 -2.0272 -2.0272 -2.0075 -2.0075 -1.9673 -1.9673 -0.9119 -0.9119 -0.8621 -0.8621 -0.7575 -0.7575 -0.7262 -0.7262 -0.6759 -0.6759 -0.6470 -0.6470 -0.6212 -0.6212 -0.5567 -0.5567 -0.0515 -0.0515 0.0072 0.0072 0.0460 0.0460 0.1965 0.1965 0.2123 0.2123 0.2552 0.2552 0.2621 0.2621 0.2987 0.2987 0.3387 0.3387 2.5722 2.5722 6.5438 6.5438 6.9371 6.9371 k = 0.0882 0.0509 0.1441 ( 9599 PWs) bands (ev): -21.0241 -21.0241 -21.0240 -21.0240 -20.0211 -20.0211 -20.0211 -20.0211 -19.9289 -19.9289 -14.0090 -14.0090 -13.2322 -13.2322 -13.2103 -13.2103 -13.1920 -13.1920 -12.7630 -12.7630 -12.7506 -12.7506 -11.6331 -11.6331 -11.6129 -11.6129 -6.1921 -6.1921 -3.1978 -3.1978 -3.1139 -3.1139 -3.0547 -3.0547 -2.0391 -2.0391 -2.0235 -2.0235 -1.9827 -1.9827 -0.8891 -0.8891 -0.8362 -0.8362 -0.7510 -0.7510 -0.7147 -0.7147 -0.6735 -0.6735 -0.6434 -0.6434 -0.6196 -0.6196 -0.5598 -0.5598 -0.0366 -0.0366 0.0241 0.0241 0.0548 0.0548 0.2173 0.2173 0.2222 0.2222 0.2591 0.2591 0.2648 0.2648 0.3048 0.3048 0.3401 0.3401 2.5317 2.5317 6.5331 6.5331 6.9260 6.9260 k = 0.0772 0.0446 0.1261 ( 9599 PWs) bands (ev): -21.0241 -21.0241 -21.0240 -21.0240 -20.0211 -20.0211 -20.0211 -20.0211 -19.9289 -19.9289 -14.0136 -14.0136 -13.2282 -13.2282 -13.2096 -13.2096 -13.1951 -13.1951 -12.7589 -12.7589 -12.7491 -12.7491 -11.6329 -11.6329 -11.6124 -11.6124 -6.2032 -6.2032 -3.1983 -3.1983 -3.1175 -3.1175 -3.0715 -3.0715 -2.0497 -2.0497 -2.0378 -2.0378 -1.9963 -1.9963 -0.8698 -0.8698 -0.8121 -0.8121 -0.7443 -0.7443 -0.7051 -0.7051 -0.6721 -0.6721 -0.6398 -0.6398 -0.6186 -0.6186 -0.5613 -0.5613 -0.0233 -0.0233 0.0392 0.0392 0.0628 0.0628 0.2315 0.2315 0.2359 0.2359 0.2628 0.2628 0.2676 0.2676 0.3108 0.3108 0.3415 0.3415 2.4944 2.4944 6.5218 6.5218 6.9170 6.9170 k = 0.0662 0.0382 0.1081 ( 9617 PWs) bands (ev): -21.0240 -21.0240 -21.0240 -21.0240 -20.0211 -20.0211 -20.0211 -20.0211 -19.9289 -19.9289 -14.0176 -14.0176 -13.2250 -13.2250 -13.2088 -13.2088 -13.1977 -13.1977 -12.7551 -12.7551 -12.7477 -12.7477 -11.6327 -11.6327 -11.6120 -11.6120 -6.2131 -6.2131 -3.1997 -3.1997 -3.1201 -3.1201 -3.0860 -3.0860 -2.0590 -2.0590 -2.0503 -2.0503 -2.0081 -2.0081 -0.8540 -0.8540 -0.7898 -0.7898 -0.7375 -0.7375 -0.6979 -0.6979 -0.6717 -0.6717 -0.6359 -0.6359 -0.6180 -0.6180 -0.5614 -0.5614 -0.0118 -0.0118 0.0525 0.0525 0.0700 0.0700 0.2405 0.2405 0.2504 0.2504 0.2661 0.2661 0.2709 0.2709 0.3170 0.3170 0.3429 0.3429 2.4609 2.4609 6.5104 6.5104 6.9100 6.9100 k = 0.0551 0.0318 0.0901 ( 9605 PWs) bands (ev): -21.0240 -21.0240 -21.0240 -21.0240 -20.0211 -20.0211 -20.0211 -20.0211 -19.9289 -19.9289 -14.0210 -14.0210 -13.2226 -13.2226 -13.2079 -13.2079 -13.1999 -13.1999 -12.7519 -12.7519 -12.7466 -12.7466 -11.6325 -11.6325 -11.6116 -11.6116 -6.2216 -6.2216 -3.2018 -3.2018 -3.1218 -3.1218 -3.0980 -3.0980 -2.0670 -2.0670 -2.0610 -2.0610 -2.0181 -2.0181 -0.8415 -0.8415 -0.7695 -0.7695 -0.7305 -0.7305 -0.6931 -0.6931 -0.6726 -0.6726 -0.6317 -0.6317 -0.6178 -0.6178 -0.5606 -0.5606 -0.0021 -0.0021 0.0640 0.0640 0.0762 0.0762 0.2487 0.2487 0.2600 0.2600 0.2690 0.2690 0.2758 0.2758 0.3236 0.3236 0.3442 0.3442 2.4316 2.4316 6.4995 6.4995 6.9046 6.9046 k = 0.0441 0.0255 0.0720 ( 9595 PWs) bands (ev): -21.0240 -21.0240 -21.0240 -21.0240 -20.0211 -20.0211 -20.0211 -20.0211 -19.9289 -19.9289 -14.0239 -14.0239 -13.2210 -13.2210 -13.2069 -13.2069 -13.2016 -13.2016 -12.7492 -12.7492 -12.7457 -12.7457 -11.6324 -11.6324 -11.6112 -11.6112 -6.2287 -6.2287 -3.2042 -3.2042 -3.1228 -3.1228 -3.1076 -3.1076 -2.0737 -2.0737 -2.0699 -2.0699 -2.0262 -2.0262 -0.8319 -0.8319 -0.7515 -0.7515 -0.7237 -0.7237 -0.6906 -0.6906 -0.6748 -0.6748 -0.6273 -0.6273 -0.6176 -0.6176 -0.5592 -0.5592 0.0058 0.0058 0.0735 0.0735 0.0814 0.0814 0.2555 0.2555 0.2652 0.2652 0.2711 0.2711 0.2818 0.2818 0.3305 0.3305 0.3453 0.3453 2.4069 2.4069 6.4896 6.4896 6.9006 6.9006 k = 0.0331 0.0191 0.0540 ( 9603 PWs) bands (ev): -21.0240 -21.0240 -21.0240 -21.0240 -20.0211 -20.0211 -20.0211 -20.0211 -19.9289 -19.9289 -14.0261 -14.0261 -13.2201 -13.2201 -13.2058 -13.2058 -13.2028 -13.2028 -12.7470 -12.7470 -12.7450 -12.7450 -11.6322 -11.6322 -11.6110 -11.6110 -6.2343 -6.2343 -3.2067 -3.2067 -3.1234 -3.1234 -3.1148 -3.1148 -2.0789 -2.0789 -2.0768 -2.0768 -2.0325 -2.0325 -0.8248 -0.8248 -0.7357 -0.7357 -0.7174 -0.7174 -0.6900 -0.6900 -0.6784 -0.6784 -0.6233 -0.6233 -0.6175 -0.6175 -0.5576 -0.5576 0.0119 0.0119 0.0810 0.0810 0.0855 0.0855 0.2606 0.2606 0.2687 0.2687 0.2726 0.2726 0.2867 0.2867 0.3371 0.3371 0.3462 0.3462 2.3872 2.3872 6.4813 6.4813 6.8978 6.8978 k = 0.0221 0.0127 0.0360 ( 9609 PWs) bands (ev): -21.0240 -21.0240 -21.0240 -21.0240 -20.0211 -20.0211 -20.0211 -20.0211 -19.9289 -19.9289 -14.0277 -14.0277 -13.2196 -13.2196 -13.2049 -13.2049 -13.2035 -13.2035 -12.7454 -12.7454 -12.7446 -12.7446 -11.6321 -11.6321 -11.6108 -11.6108 -6.2383 -6.2383 -3.2087 -3.2087 -3.1237 -3.1237 -3.1199 -3.1199 -2.0827 -2.0827 -2.0818 -2.0818 -2.0370 -2.0370 -0.8200 -0.8200 -0.7222 -0.7222 -0.7117 -0.7117 -0.6908 -0.6908 -0.6833 -0.6833 -0.6202 -0.6202 -0.6175 -0.6175 -0.5562 -0.5562 0.0162 0.0162 0.0865 0.0865 0.0885 0.0885 0.2638 0.2638 0.2716 0.2716 0.2736 0.2736 0.2899 0.2899 0.3426 0.3426 0.3469 0.3469 2.3730 2.3730 6.4749 6.4749 6.8960 6.8960 k = 0.0110 0.0064 0.0180 ( 9577 PWs) bands (ev): -21.0240 -21.0240 -21.0240 -21.0240 -20.0211 -20.0211 -20.0211 -20.0211 -19.9289 -19.9289 -14.0287 -14.0287 -13.2195 -13.2195 -13.2043 -13.2043 -13.2040 -13.2040 -12.7445 -12.7445 -12.7443 -12.7443 -11.6321 -11.6321 -11.6107 -11.6107 -6.2407 -6.2407 -3.2100 -3.2100 -3.1238 -3.1238 -3.1228 -3.1228 -2.0850 -2.0850 -2.0847 -2.0847 -2.0397 -2.0397 -0.8173 -0.8173 -0.7112 -0.7112 -0.7074 -0.7074 -0.6922 -0.6922 -0.6891 -0.6891 -0.6181 -0.6181 -0.6174 -0.6174 -0.5552 -0.5552 0.0188 0.0188 0.0898 0.0898 0.0903 0.0903 0.2653 0.2653 0.2737 0.2737 0.2743 0.2743 0.2917 0.2917 0.3462 0.3462 0.3473 0.3473 2.3643 2.3643 6.4710 6.4710 6.8949 6.8949 k = 0.0000 0.0000 0.0000 ( 9577 PWs) bands (ev): -21.0240 -21.0240 -21.0240 -21.0240 -20.0211 -20.0211 -20.0211 -20.0211 -19.9289 -19.9289 -14.0290 -14.0290 -13.2194 -13.2194 -13.2041 -13.2041 -13.2041 -13.2041 -12.7442 -12.7442 -12.7442 -12.7442 -11.6321 -11.6321 -11.6107 -11.6107 -6.2415 -6.2415 -3.2105 -3.2105 -3.1238 -3.1238 -3.1238 -3.1238 -2.0857 -2.0857 -2.0857 -2.0857 -2.0405 -2.0405 -0.8164 -0.8164 -0.7056 -0.7056 -0.7056 -0.7056 -0.6930 -0.6930 -0.6930 -0.6930 -0.6174 -0.6174 -0.6174 -0.6174 -0.5549 -0.5549 0.0196 0.0196 0.0909 0.0909 0.0909 0.0909 0.2658 0.2658 0.2745 0.2745 0.2745 0.2745 0.2922 0.2922 0.3474 0.3474 0.3474 0.3474 2.3614 2.3614 6.4696 6.4696 6.8946 6.8946 k = 0.0000 0.0000 0.0000 ( 9577 PWs) bands (ev): -21.0240 -21.0240 -21.0240 -21.0240 -20.0211 -20.0211 -20.0211 -20.0211 -19.9289 -19.9289 -14.0290 -14.0290 -13.2194 -13.2194 -13.2041 -13.2041 -13.2041 -13.2041 -12.7442 -12.7442 -12.7442 -12.7442 -11.6321 -11.6321 -11.6107 -11.6107 -6.2415 -6.2415 -3.2105 -3.2105 -3.1238 -3.1238 -3.1238 -3.1238 -2.0857 -2.0857 -2.0857 -2.0857 -2.0405 -2.0405 -0.8164 -0.8164 -0.7056 -0.7056 -0.7056 -0.7056 -0.6930 -0.6930 -0.6930 -0.6930 -0.6174 -0.6174 -0.6174 -0.6174 -0.5549 -0.5549 0.0196 0.0196 0.0909 0.0909 0.0909 0.0909 0.2658 0.2658 0.2745 0.2745 0.2745 0.2745 0.2922 0.2922 0.3474 0.3474 0.3474 0.3474 2.3614 2.3614 6.4696 6.4696 6.8946 6.8946 k = 0.0179 0.0103 0.0073 ( 9577 PWs) bands (ev): -21.0240 -21.0240 -21.0240 -21.0240 -20.0211 -20.0211 -20.0211 -20.0211 -19.9289 -19.9289 -14.0287 -14.0287 -13.2195 -13.2195 -13.2043 -13.2043 -13.2040 -13.2040 -12.7444 -12.7444 -12.7444 -12.7444 -11.6321 -11.6321 -11.6107 -11.6107 -6.2407 -6.2407 -3.2100 -3.2100 -3.1239 -3.1239 -3.1228 -3.1228 -2.0850 -2.0850 -2.0848 -2.0848 -2.0397 -2.0397 -0.8173 -0.8173 -0.7106 -0.7106 -0.7081 -0.7081 -0.6919 -0.6919 -0.6893 -0.6893 -0.6182 -0.6182 -0.6174 -0.6174 -0.5552 -0.5552 0.0188 0.0188 0.0899 0.0899 0.0902 0.0902 0.2653 0.2653 0.2737 0.2737 0.2743 0.2743 0.2917 0.2917 0.3461 0.3461 0.3473 0.3473 2.3642 2.3642 6.4710 6.4710 6.8947 6.8947 k = 0.0357 0.0206 0.0146 ( 9607 PWs) bands (ev): -21.0240 -21.0240 -21.0240 -21.0240 -20.0211 -20.0211 -20.0211 -20.0211 -19.9289 -19.9289 -14.0278 -14.0278 -13.2197 -13.2197 -13.2050 -13.2050 -13.2035 -13.2035 -12.7450 -12.7450 -12.7450 -12.7450 -11.6321 -11.6321 -11.6108 -11.6108 -6.2383 -6.2383 -3.2088 -3.2088 -3.1239 -3.1239 -3.1197 -3.1197 -2.0827 -2.0827 -2.0819 -2.0819 -2.0370 -2.0370 -0.8199 -0.8199 -0.7202 -0.7202 -0.7142 -0.7142 -0.6899 -0.6899 -0.6835 -0.6835 -0.6203 -0.6203 -0.6173 -0.6173 -0.5562 -0.5562 0.0163 0.0163 0.0870 0.0870 0.0880 0.0880 0.2637 0.2637 0.2715 0.2715 0.2738 0.2738 0.2899 0.2899 0.3425 0.3425 0.3470 0.3470 2.3728 2.3728 6.4748 6.4748 6.8953 6.8953 k = 0.0536 0.0309 0.0219 ( 9601 PWs) bands (ev): -21.0240 -21.0240 -21.0240 -21.0240 -20.0211 -20.0211 -20.0211 -20.0211 -19.9289 -19.9289 -14.0262 -14.0262 -13.2202 -13.2202 -13.2058 -13.2058 -13.2027 -13.2027 -12.7460 -12.7460 -12.7460 -12.7460 -11.6322 -11.6322 -11.6110 -11.6110 -6.2344 -6.2344 -3.2069 -3.2069 -3.1236 -3.1236 -3.1146 -3.1146 -2.0789 -2.0789 -2.0771 -2.0771 -2.0326 -2.0326 -0.8245 -0.8245 -0.7319 -0.7319 -0.7226 -0.7226 -0.6885 -0.6885 -0.6785 -0.6785 -0.6234 -0.6234 -0.6173 -0.6173 -0.5575 -0.5575 0.0121 0.0121 0.0822 0.0822 0.0845 0.0845 0.2604 0.2604 0.2688 0.2688 0.2731 0.2731 0.2866 0.2866 0.3370 0.3370 0.3466 0.3466 2.3868 2.3868 6.4809 6.4809 6.8966 6.8966 k = 0.0714 0.0412 0.0292 ( 9613 PWs) bands (ev): -21.0240 -21.0240 -21.0240 -21.0240 -20.0211 -20.0211 -20.0211 -20.0211 -19.9289 -19.9289 -14.0240 -14.0240 -13.2214 -13.2214 -13.2064 -13.2064 -13.2016 -13.2016 -12.7474 -12.7474 -12.7474 -12.7474 -11.6324 -11.6324 -11.6112 -11.6112 -6.2289 -6.2289 -3.2049 -3.2049 -3.1227 -3.1227 -3.1074 -3.1074 -2.0735 -2.0735 -2.0704 -2.0704 -2.0265 -2.0265 -0.8309 -0.8309 -0.7456 -0.7456 -0.7328 -0.7328 -0.6882 -0.6882 -0.6751 -0.6751 -0.6268 -0.6268 -0.6175 -0.6175 -0.5587 -0.5587 0.0063 0.0063 0.0756 0.0756 0.0797 0.0797 0.2544 0.2544 0.2661 0.2661 0.2721 0.2721 0.2811 0.2811 0.3307 0.3307 0.3459 0.3459 2.4061 2.4061 6.4887 6.4887 6.8990 6.8990 k = 0.0893 0.0515 0.0365 ( 9613 PWs) bands (ev): -21.0240 -21.0240 -21.0240 -21.0240 -20.0211 -20.0211 -20.0211 -20.0211 -19.9289 -19.9289 -14.0212 -14.0212 -13.2237 -13.2237 -13.2065 -13.2065 -13.2001 -13.2001 -12.7492 -12.7492 -12.7492 -12.7492 -11.6325 -11.6325 -11.6116 -11.6116 -6.2220 -6.2220 -3.2036 -3.2036 -3.1203 -3.1203 -3.0983 -3.0983 -2.0667 -2.0667 -2.0620 -2.0620 -2.0186 -2.0186 -0.8394 -0.8394 -0.7611 -0.7611 -0.7447 -0.7447 -0.6891 -0.6891 -0.6746 -0.6746 -0.6293 -0.6293 -0.6179 -0.6179 -0.5594 -0.5594 -0.0011 -0.0011 0.0672 0.0672 0.0736 0.0736 0.2457 0.2457 0.2634 0.2634 0.2709 0.2709 0.2730 0.2730 0.3244 0.3244 0.3451 0.3451 2.4303 2.4303 6.4976 6.4976 6.9030 6.9030 k = 0.1071 0.0619 0.0437 ( 9621 PWs) bands (ev): -21.0240 -21.0240 -21.0240 -21.0240 -20.0211 -20.0211 -20.0211 -20.0211 -19.9289 -19.9289 -14.0178 -14.0178 -13.2272 -13.2272 -13.2059 -13.2059 -13.1984 -13.1984 -12.7513 -12.7513 -12.7513 -12.7513 -11.6327 -11.6327 -11.6119 -11.6119 -6.2136 -6.2136 -3.2035 -3.2035 -3.1159 -3.1159 -3.0873 -3.0873 -2.0585 -2.0585 -2.0518 -2.0518 -2.0088 -2.0088 -0.8499 -0.8499 -0.7785 -0.7785 -0.7582 -0.7582 -0.6919 -0.6919 -0.6782 -0.6782 -0.6295 -0.6295 -0.6185 -0.6185 -0.5590 -0.5590 -0.0100 -0.0100 0.0571 0.0571 0.0664 0.0664 0.2343 0.2343 0.2575 0.2575 0.2649 0.2649 0.2697 0.2697 0.3191 0.3191 0.3440 0.3440 2.4590 2.4590 6.5066 6.5066 6.9094 6.9094 k = 0.1250 0.0722 0.0510 ( 9615 PWs) bands (ev): -21.0240 -21.0240 -21.0240 -21.0240 -20.0211 -20.0211 -20.0211 -20.0211 -19.9289 -19.9289 -14.0138 -14.0138 -13.2317 -13.2317 -13.2046 -13.2046 -13.1964 -13.1964 -12.7538 -12.7538 -12.7538 -12.7538 -11.6329 -11.6329 -11.6124 -11.6124 -6.2039 -6.2039 -3.2054 -3.2054 -3.1089 -3.1089 -3.0744 -3.0744 -2.0488 -2.0488 -2.0399 -2.0399 -1.9973 -1.9973 -0.8626 -0.8626 -0.7979 -0.7979 -0.7732 -0.7732 -0.6969 -0.6969 -0.6862 -0.6862 -0.6268 -0.6268 -0.6189 -0.6189 -0.5572 -0.5572 -0.0204 -0.0204 0.0455 0.0455 0.0581 0.0581 0.2202 0.2202 0.2444 0.2444 0.2613 0.2613 0.2684 0.2684 0.3148 0.3148 0.3427 0.3427 2.4918 2.4918 6.5146 6.5146 6.9190 6.9190 k = 0.1429 0.0825 0.0583 ( 9615 PWs) bands (ev): -21.0241 -21.0241 -21.0240 -21.0240 -20.0211 -20.0211 -20.0211 -20.0211 -19.9289 -19.9289 -14.0094 -14.0094 -13.2372 -13.2372 -13.2029 -13.2029 -13.1942 -13.1942 -12.7566 -12.7566 -12.7566 -12.7566 -11.6331 -11.6331 -11.6129 -11.6129 -6.1931 -6.1931 -3.2094 -3.2094 -3.0990 -3.0990 -3.0598 -3.0598 -2.0377 -2.0377 -2.0266 -2.0266 -1.9839 -1.9839 -0.8775 -0.8775 -0.8192 -0.8192 -0.7896 -0.7896 -0.7047 -0.7047 -0.6980 -0.6980 -0.6219 -0.6219 -0.6185 -0.6185 -0.5539 -0.5539 -0.0322 -0.0322 0.0326 0.0326 0.0490 0.0490 0.2029 0.2029 0.2288 0.2288 0.2590 0.2590 0.2671 0.2671 0.3113 0.3113 0.3412 0.3412 2.5282 2.5282 6.5208 6.5208 6.9326 6.9326 k = 0.1607 0.0928 0.0656 ( 9606 PWs) bands (ev): -21.0241 -21.0241 -21.0240 -21.0240 -20.0211 -20.0211 -20.0211 -20.0211 -19.9289 -19.9289 -14.0044 -14.0044 -13.2435 -13.2435 -13.2007 -13.2007 -13.1917 -13.1917 -12.7597 -12.7597 -12.7597 -12.7597 -11.6333 -11.6333 -11.6135 -11.6135 -6.1811 -6.1811 -3.2154 -3.2154 -3.0864 -3.0864 -3.0434 -3.0434 -2.0254 -2.0254 -2.0118 -2.0118 -1.9687 -1.9687 -0.8946 -0.8946 -0.8424 -0.8424 -0.8071 -0.8071 -0.7155 -0.7155 -0.7126 -0.7126 -0.6169 -0.6169 -0.6155 -0.6155 -0.5492 -0.5492 -0.0452 -0.0452 0.0184 0.0184 0.0389 0.0389 0.1824 0.1824 0.2122 0.2122 0.2568 0.2568 0.2660 0.2660 0.3083 0.3083 0.3395 0.3395 2.5676 2.5676 6.5241 6.5241 6.9508 6.9508 k = 0.1786 0.1031 0.0729 ( 9588 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0211 -20.0211 -20.0211 -20.0211 -19.9289 -19.9289 -13.9989 -13.9989 -13.2504 -13.2504 -13.1982 -13.1982 -13.1890 -13.1890 -12.7631 -12.7631 -12.7630 -12.7630 -11.6335 -11.6335 -11.6141 -11.6141 -6.1681 -6.1681 -3.2233 -3.2233 -3.0714 -3.0714 -3.0255 -3.0255 -2.0117 -2.0117 -1.9958 -1.9958 -1.9516 -1.9516 -0.9139 -0.9139 -0.8673 -0.8673 -0.8256 -0.8256 -0.7294 -0.7294 -0.7292 -0.7292 -0.6140 -0.6140 -0.6080 -0.6080 -0.5432 -0.5432 -0.0592 -0.0592 0.0031 0.0031 0.0281 0.0281 0.1594 0.1594 0.1952 0.1952 0.2548 0.2548 0.2649 0.2649 0.3055 0.3055 0.3375 0.3375 2.6095 2.6095 6.5240 6.5240 6.9740 6.9740 k = 0.1964 0.1134 0.0802 ( 9591 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0211 -20.0211 -20.0211 -20.0211 -19.9289 -19.9289 -13.9931 -13.9931 -13.2580 -13.2580 -13.1955 -13.1955 -13.1861 -13.1861 -12.7667 -12.7667 -12.7666 -12.7666 -11.6337 -11.6337 -11.6148 -11.6148 -6.1542 -6.1542 -3.2326 -3.2326 -3.0543 -3.0543 -3.0062 -3.0062 -1.9969 -1.9969 -1.9786 -1.9786 -1.9327 -1.9327 -0.9352 -0.9352 -0.8938 -0.8938 -0.8449 -0.8449 -0.7483 -0.7483 -0.7456 -0.7456 -0.6096 -0.6096 -0.5997 -0.5997 -0.5360 -0.5360 -0.0742 -0.0742 -0.0131 -0.0131 0.0166 0.0166 0.1346 0.1346 0.1775 0.1775 0.2529 0.2529 0.2639 0.2639 0.3028 0.3028 0.3354 0.3354 2.6535 2.6535 6.5203 6.5203 7.0020 7.0020 k = 0.2143 0.1237 0.0875 ( 9609 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0211 -20.0211 -20.0211 -20.0211 -19.9289 -19.9289 -13.9869 -13.9869 -13.2660 -13.2660 -13.1925 -13.1925 -13.1830 -13.1830 -12.7705 -12.7705 -12.7704 -12.7704 -11.6339 -11.6339 -11.6156 -11.6156 -6.1397 -6.1397 -3.2432 -3.2432 -3.0355 -3.0355 -2.9856 -2.9856 -1.9811 -1.9811 -1.9604 -1.9604 -1.9119 -1.9119 -0.9585 -0.9585 -0.9217 -0.9217 -0.8649 -0.8649 -0.7688 -0.7688 -0.7643 -0.7643 -0.6040 -0.6040 -0.5907 -0.5907 -0.5279 -0.5279 -0.0899 -0.0899 -0.0299 -0.0299 0.0045 0.0045 0.1087 0.1087 0.1592 0.1592 0.2511 0.2511 0.2631 0.2631 0.3001 0.3001 0.3330 0.3330 2.6989 2.6989 6.5130 6.5130 7.0346 7.0346 k = 0.2321 0.1340 0.0948 ( 9618 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0211 -20.0211 -20.0211 -20.0211 -19.9289 -19.9289 -13.9803 -13.9803 -13.2744 -13.2744 -13.1894 -13.1894 -13.1798 -13.1798 -12.7744 -12.7744 -12.7744 -12.7744 -11.6341 -11.6341 -11.6163 -11.6163 -6.1246 -6.1246 -3.2548 -3.2548 -3.0153 -3.0153 -2.9639 -2.9639 -1.9642 -1.9642 -1.9414 -1.9414 -1.8894 -1.8894 -0.9835 -0.9835 -0.9508 -0.9508 -0.8854 -0.8854 -0.7907 -0.7907 -0.7851 -0.7851 -0.5973 -0.5973 -0.5810 -0.5810 -0.5189 -0.5189 -0.1061 -0.1061 -0.0474 -0.0474 -0.0083 -0.0083 0.0822 0.0822 0.1404 0.1404 0.2495 0.2495 0.2625 0.2625 0.2974 0.2974 0.3305 0.3305 2.7452 2.7452 6.5025 6.5025 7.0710 7.0710 k = 0.2500 0.1443 0.1021 ( 9615 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0211 -20.0211 -20.0211 -20.0211 -19.9289 -19.9289 -13.9736 -13.9736 -13.2831 -13.2831 -13.1862 -13.1862 -13.1764 -13.1764 -12.7785 -12.7785 -12.7784 -12.7784 -11.6342 -11.6342 -11.6172 -11.6172 -6.1092 -6.1092 -3.2671 -3.2671 -2.9939 -2.9939 -2.9413 -2.9413 -1.9464 -1.9464 -1.9215 -1.9215 -1.8653 -1.8653 -1.0099 -1.0099 -0.9808 -0.9808 -0.9064 -0.9064 -0.8140 -0.8140 -0.8074 -0.8074 -0.5896 -0.5896 -0.5708 -0.5708 -0.5091 -0.5091 -0.1227 -0.1227 -0.0652 -0.0652 -0.0215 -0.0215 0.0559 0.0559 0.1210 0.1210 0.2481 0.2481 0.2621 0.2621 0.2946 0.2946 0.3278 0.3278 2.7919 2.7919 6.4892 6.4892 7.1104 7.1104 k = 0.2679 0.1546 0.1094 ( 9627 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0211 -20.0211 -20.0211 -20.0211 -19.9289 -19.9289 -13.9666 -13.9666 -13.2920 -13.2920 -13.1829 -13.1829 -13.1730 -13.1730 -12.7826 -12.7826 -12.7826 -12.7826 -11.6343 -11.6343 -11.6180 -11.6180 -6.0936 -6.0936 -3.2800 -3.2800 -2.9716 -2.9716 -2.9180 -2.9180 -1.9280 -1.9280 -1.9011 -1.9011 -1.8397 -1.8397 -1.0374 -1.0374 -1.0113 -1.0113 -0.9278 -0.9278 -0.8383 -0.8383 -0.8312 -0.8312 -0.5811 -0.5811 -0.5600 -0.5600 -0.4986 -0.4986 -0.1396 -0.1396 -0.0832 -0.0832 -0.0352 -0.0352 0.0300 0.0300 0.1012 0.1012 0.2468 0.2468 0.2620 0.2620 0.2919 0.2919 0.3250 0.3250 2.8384 2.8384 6.4738 6.4738 7.1521 7.1521 k = 0.2857 0.1650 0.1166 ( 9633 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0211 -20.0211 -20.0211 -20.0211 -19.9289 -19.9289 -13.9596 -13.9596 -13.3009 -13.3009 -13.1795 -13.1795 -13.1696 -13.1696 -12.7868 -12.7868 -12.7867 -12.7867 -11.6343 -11.6343 -11.6189 -11.6189 -6.0780 -6.0780 -3.2931 -3.2931 -2.9488 -2.9488 -2.8942 -2.8942 -1.9090 -1.9090 -1.8801 -1.8801 -1.8128 -1.8128 -1.0657 -1.0657 -1.0421 -1.0421 -0.9497 -0.9497 -0.8633 -0.8633 -0.8560 -0.8560 -0.5719 -0.5719 -0.5487 -0.5487 -0.4875 -0.4875 -0.1565 -0.1565 -0.1014 -0.1014 -0.0492 -0.0492 0.0052 0.0052 0.0811 0.0811 0.2458 0.2458 0.2620 0.2620 0.2890 0.2890 0.3220 0.3220 2.8843 2.8843 6.4567 6.4567 7.1950 7.1950 k = 0.3036 0.1753 0.1239 ( 9627 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0211 -20.0211 -20.0211 -20.0211 -19.9289 -19.9289 -13.9526 -13.9526 -13.3098 -13.3098 -13.1761 -13.1761 -13.1662 -13.1662 -12.7909 -12.7909 -12.7908 -12.7908 -11.6343 -11.6343 -11.6198 -11.6198 -6.0627 -6.0627 -3.3064 -3.3064 -2.9257 -2.9257 -2.8702 -2.8702 -1.8896 -1.8896 -1.8588 -1.8588 -1.7848 -1.7848 -1.0942 -1.0942 -1.0727 -1.0727 -0.9721 -0.9721 -0.8889 -0.8889 -0.8816 -0.8816 -0.5621 -0.5621 -0.5370 -0.5370 -0.4759 -0.4759 -0.1734 -0.1734 -0.1196 -0.1196 -0.0636 -0.0636 -0.0183 -0.0183 0.0610 0.0610 0.2450 0.2450 0.2623 0.2623 0.2861 0.2861 0.3189 0.3189 2.9290 2.9290 6.4385 6.4385 7.2384 7.2384 k = 0.3214 0.1856 0.1312 ( 9645 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0211 -20.0211 -20.0211 -20.0211 -19.9288 -19.9288 -13.9456 -13.9456 -13.3186 -13.3186 -13.1728 -13.1728 -13.1629 -13.1629 -12.7949 -12.7949 -12.7949 -12.7949 -11.6343 -11.6343 -11.6207 -11.6207 -6.0478 -6.0478 -3.3195 -3.3195 -2.9027 -2.9027 -2.8463 -2.8463 -1.8701 -1.8701 -1.8374 -1.8374 -1.7559 -1.7559 -1.1225 -1.1225 -1.1027 -1.1027 -0.9948 -0.9948 -0.9148 -0.9148 -0.9076 -0.9076 -0.5518 -0.5518 -0.5250 -0.5250 -0.4639 -0.4639 -0.1902 -0.1902 -0.1377 -0.1377 -0.0781 -0.0781 -0.0400 -0.0400 0.0409 0.0409 0.2444 0.2444 0.2628 0.2628 0.2833 0.2833 0.3158 0.3158 2.9719 2.9719 6.4197 6.4197 7.2815 7.2815 k = 0.3393 0.1959 0.1385 ( 9645 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0211 -20.0211 -20.0211 -20.0211 -19.9288 -19.9288 -13.9389 -13.9389 -13.3271 -13.3271 -13.1697 -13.1697 -13.1596 -13.1596 -12.7988 -12.7988 -12.7988 -12.7988 -11.6342 -11.6342 -11.6216 -11.6216 -6.0335 -6.0335 -3.3322 -3.3322 -2.8801 -2.8801 -2.8229 -2.8229 -1.8507 -1.8507 -1.8161 -1.8161 -1.7264 -1.7264 -1.1502 -1.1502 -1.1317 -1.1317 -1.0178 -1.0178 -0.9405 -0.9405 -0.9338 -0.9338 -0.5411 -0.5411 -0.5127 -0.5127 -0.4516 -0.4516 -0.2067 -0.2067 -0.1555 -0.1555 -0.0926 -0.0926 -0.0597 -0.0597 0.0211 0.0211 0.2441 0.2441 0.2636 0.2636 0.2804 0.2804 0.3126 0.3126 3.0127 3.0127 6.4009 6.4009 7.3233 7.3233 k = 0.3571 0.2062 0.1458 ( 9627 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0211 -20.0211 -20.0211 -20.0211 -19.9288 -19.9288 -13.9324 -13.9324 -13.3351 -13.3351 -13.1666 -13.1666 -13.1565 -13.1565 -12.8025 -12.8025 -12.8024 -12.8024 -11.6341 -11.6341 -11.6225 -11.6225 -6.0200 -6.0200 -3.3444 -3.3444 -2.8583 -2.8583 -2.8003 -2.8003 -1.8318 -1.8318 -1.7952 -1.7952 -1.6967 -1.6967 -1.1767 -1.1767 -1.1592 -1.1592 -1.0409 -1.0409 -0.9658 -0.9658 -0.9598 -0.9598 -0.5301 -0.5301 -0.5002 -0.5002 -0.4391 -0.4391 -0.2228 -0.2228 -0.1729 -0.1729 -0.1071 -0.1071 -0.0770 -0.0770 0.0019 0.0019 0.2440 0.2440 0.2646 0.2646 0.2775 0.2775 0.3093 0.3093 3.0508 3.0508 6.3825 6.3825 7.3632 7.3632 k = 0.3750 0.2165 0.1531 ( 9639 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0211 -20.0211 -20.0211 -20.0211 -19.9288 -19.9288 -13.9263 -13.9263 -13.3427 -13.3427 -13.1638 -13.1638 -13.1537 -13.1537 -12.8059 -12.8059 -12.8058 -12.8058 -11.6339 -11.6339 -11.6234 -11.6234 -6.0076 -6.0076 -3.3557 -3.3557 -2.8377 -2.8377 -2.7790 -2.7790 -1.8136 -1.8136 -1.7750 -1.7750 -1.6670 -1.6670 -1.2015 -1.2015 -1.1847 -1.1847 -1.0639 -1.0639 -0.9902 -0.9902 -0.9852 -0.9852 -0.5191 -0.5191 -0.4877 -0.4877 -0.4267 -0.4267 -0.2383 -0.2383 -0.1897 -0.1897 -0.1213 -0.1213 -0.0917 -0.0917 -0.0167 -0.0167 0.2441 0.2441 0.2658 0.2658 0.2748 0.2748 0.3061 0.3061 3.0857 3.0857 6.3650 6.3650 7.4005 7.4005 k = 0.3929 0.2268 0.1604 ( 9663 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0211 -20.0211 -20.0211 -20.0211 -19.9288 -19.9288 -13.9208 -13.9208 -13.3496 -13.3496 -13.1612 -13.1612 -13.1510 -13.1510 -12.8090 -12.8090 -12.8090 -12.8090 -11.6336 -11.6336 -11.6243 -11.6243 -5.9964 -5.9964 -3.3661 -3.3661 -2.8186 -2.8186 -2.7593 -2.7593 -1.7967 -1.7967 -1.7561 -1.7561 -1.6380 -1.6380 -1.2242 -1.2242 -1.2077 -1.2077 -1.0863 -1.0863 -1.0132 -1.0132 -1.0096 -1.0096 -0.5082 -0.5082 -0.4754 -0.4754 -0.4146 -0.4146 -0.2531 -0.2531 -0.2059 -0.2059 -0.1351 -0.1351 -0.1037 -0.1037 -0.0344 -0.0344 0.2445 0.2445 0.2672 0.2672 0.2721 0.2721 0.3029 0.3029 3.1170 3.1170 6.3488 6.3488 7.4344 7.4344 k = 0.4107 0.2371 0.1677 ( 9657 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0211 -20.0211 -20.0211 -20.0211 -19.9288 -19.9288 -13.9158 -13.9158 -13.3556 -13.3556 -13.1589 -13.1589 -13.1487 -13.1487 -12.8117 -12.8117 -12.8117 -12.8117 -11.6333 -11.6333 -11.6251 -11.6251 -5.9866 -5.9866 -3.3752 -3.3752 -2.8016 -2.8016 -2.7416 -2.7416 -1.7813 -1.7813 -1.7387 -1.7387 -1.6103 -1.6103 -1.2443 -1.2443 -1.2278 -1.2278 -1.1077 -1.1077 -1.0343 -1.0343 -1.0323 -1.0323 -0.4977 -0.4977 -0.4635 -0.4635 -0.4030 -0.4030 -0.2669 -0.2669 -0.2210 -0.2210 -0.1481 -0.1481 -0.1128 -0.1128 -0.0508 -0.0508 0.2450 0.2450 0.2688 0.2688 0.2695 0.2695 0.2997 0.2997 3.1442 3.1442 6.3343 6.3343 7.4643 7.4643 k = 0.4286 0.2474 0.1750 ( 9639 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0211 -20.0211 -20.0211 -20.0211 -19.9288 -19.9288 -13.9116 -13.9116 -13.3608 -13.3608 -13.1570 -13.1570 -13.1468 -13.1468 -12.8140 -12.8140 -12.8140 -12.8140 -11.6330 -11.6330 -11.6258 -11.6258 -5.9783 -5.9783 -3.3829 -3.3829 -2.7870 -2.7870 -2.7265 -2.7265 -1.7680 -1.7680 -1.7236 -1.7236 -1.5847 -1.5847 -1.2616 -1.2616 -1.2446 -1.2446 -1.1273 -1.1273 -1.0528 -1.0528 -1.0527 -1.0527 -0.4878 -0.4878 -0.4524 -0.4524 -0.3922 -0.3922 -0.2793 -0.2793 -0.2347 -0.2347 -0.1598 -0.1598 -0.1191 -0.1191 -0.0658 -0.0658 0.2457 0.2457 0.2672 0.2672 0.2706 0.2706 0.2967 0.2967 3.1671 3.1671 6.3219 6.3219 7.4896 7.4896 k = 0.4464 0.2577 0.1823 ( 9651 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0211 -20.0211 -20.0211 -20.0211 -19.9288 -19.9288 -13.9082 -13.9082 -13.3649 -13.3649 -13.1554 -13.1554 -13.1452 -13.1452 -12.8159 -12.8159 -12.8158 -12.8158 -11.6327 -11.6327 -11.6265 -11.6265 -5.9718 -5.9718 -3.3891 -3.3891 -2.7752 -2.7752 -2.7142 -2.7142 -1.7571 -1.7571 -1.7111 -1.7111 -1.5623 -1.5623 -1.2755 -1.2755 -1.2579 -1.2579 -1.1442 -1.1442 -1.0699 -1.0699 -1.0682 -1.0682 -0.4792 -0.4792 -0.4426 -0.4426 -0.3829 -0.3829 -0.2900 -0.2900 -0.2465 -0.2465 -0.1700 -0.1700 -0.1227 -0.1227 -0.0789 -0.0789 0.2465 0.2465 0.2651 0.2651 0.2724 0.2724 0.2939 0.2939 3.1853 3.1853 6.3120 6.3120 7.5098 7.5098 k = 0.4643 0.2681 0.1895 ( 9633 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0211 -20.0211 -20.0211 -20.0211 -19.9288 -19.9288 -13.9057 -13.9057 -13.3680 -13.3680 -13.1543 -13.1543 -13.1440 -13.1440 -12.8172 -12.8172 -12.8172 -12.8172 -11.6324 -11.6324 -11.6271 -11.6271 -5.9670 -5.9670 -3.3936 -3.3936 -2.7665 -2.7665 -2.7051 -2.7051 -1.7491 -1.7491 -1.7018 -1.7018 -1.5446 -1.5446 -1.2859 -1.2859 -1.2674 -1.2674 -1.1574 -1.1574 -1.0831 -1.0831 -1.0797 -1.0797 -0.4724 -0.4724 -0.4348 -0.4348 -0.3756 -0.3756 -0.2983 -0.2983 -0.2558 -0.2558 -0.1780 -0.1780 -0.1239 -0.1239 -0.0898 -0.0898 0.2472 0.2472 0.2634 0.2634 0.2740 0.2740 0.2915 0.2915 3.1984 3.1984 6.3046 6.3046 7.5246 7.5246 k = 0.4821 0.2784 0.1968 ( 9630 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0211 -20.0211 -20.0211 -20.0211 -19.9288 -19.9288 -13.9042 -13.9042 -13.3698 -13.3698 -13.1536 -13.1536 -13.1433 -13.1433 -12.8180 -12.8180 -12.8180 -12.8180 -11.6322 -11.6322 -11.6274 -11.6274 -5.9641 -5.9641 -3.3964 -3.3964 -2.7611 -2.7611 -2.6996 -2.6996 -1.7441 -1.7441 -1.6960 -1.6960 -1.5331 -1.5331 -1.2924 -1.2924 -1.2731 -1.2731 -1.1659 -1.1659 -1.0915 -1.0915 -1.0869 -1.0869 -0.4679 -0.4679 -0.4296 -0.4296 -0.3708 -0.3708 -0.3037 -0.3037 -0.2619 -0.2619 -0.1831 -0.1831 -0.1234 -0.1234 -0.0975 -0.0975 0.2478 0.2478 0.2623 0.2623 0.2754 0.2754 0.2898 0.2898 3.2064 3.2064 6.3001 6.3001 7.5336 7.5336 k = 0.5000 0.2887 0.2041 ( 9588 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0211 -20.0211 -20.0211 -20.0211 -19.9288 -19.9288 -13.9037 -13.9037 -13.3704 -13.3704 -13.1534 -13.1534 -13.1431 -13.1431 -12.8183 -12.8183 -12.8183 -12.8183 -11.6321 -11.6321 -11.6276 -11.6276 -5.9631 -5.9631 -3.3973 -3.3973 -2.7593 -2.7593 -2.6977 -2.6977 -1.7425 -1.7425 -1.6941 -1.6941 -1.5291 -1.5291 -1.2946 -1.2946 -1.2750 -1.2750 -1.1688 -1.1688 -1.0943 -1.0943 -1.0893 -1.0893 -0.4663 -0.4663 -0.4278 -0.4278 -0.3691 -0.3691 -0.3056 -0.3056 -0.2640 -0.2640 -0.1848 -0.1848 -0.1229 -0.1229 -0.1005 -0.1005 0.2480 0.2480 0.2619 0.2619 0.2759 0.2759 0.2891 0.2891 3.2091 3.2091 6.2986 6.2986 7.5366 7.5366 k = 0.5000 0.2887 0.2041 ( 9588 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0211 -20.0211 -20.0211 -20.0211 -19.9288 -19.9288 -13.9037 -13.9037 -13.3704 -13.3704 -13.1534 -13.1534 -13.1431 -13.1431 -12.8183 -12.8183 -12.8183 -12.8183 -11.6321 -11.6321 -11.6276 -11.6276 -5.9631 -5.9631 -3.3973 -3.3973 -2.7593 -2.7593 -2.6977 -2.6977 -1.7425 -1.7425 -1.6941 -1.6941 -1.5291 -1.5291 -1.2946 -1.2946 -1.2750 -1.2750 -1.1688 -1.1688 -1.0943 -1.0943 -1.0893 -1.0893 -0.4663 -0.4663 -0.4278 -0.4278 -0.3691 -0.3691 -0.3056 -0.3056 -0.2640 -0.2640 -0.1848 -0.1848 -0.1229 -0.1229 -0.1005 -0.1005 0.2480 0.2480 0.2619 0.2619 0.2759 0.2759 0.2891 0.2891 3.2091 3.2091 6.2986 6.2986 7.5366 7.5366 k = 0.5062 0.2706 0.2143 ( 9624 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0211 -20.0211 -20.0211 -20.0211 -19.9288 -19.9288 -13.9035 -13.9035 -13.3701 -13.3701 -13.1536 -13.1536 -13.1434 -13.1434 -12.8185 -12.8185 -12.8181 -12.8181 -11.6321 -11.6321 -11.6276 -11.6276 -5.9627 -5.9627 -3.3961 -3.3961 -2.7597 -2.7597 -2.6981 -2.6981 -1.7418 -1.7418 -1.6933 -1.6933 -1.5292 -1.5292 -1.2952 -1.2952 -1.2761 -1.2761 -1.1701 -1.1701 -1.0921 -1.0921 -1.0871 -1.0871 -0.4679 -0.4679 -0.4294 -0.4294 -0.3707 -0.3707 -0.3067 -0.3067 -0.2652 -0.2652 -0.1852 -0.1852 -0.1216 -0.1216 -0.0985 -0.0985 0.2470 0.2470 0.2602 0.2602 0.2765 0.2765 0.2890 0.2890 3.2103 3.2103 6.3016 6.3016 7.5364 7.5364 k = 0.5125 0.2526 0.2245 ( 9631 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0211 -20.0211 -20.0211 -20.0211 -19.9288 -19.9288 -13.9030 -13.9030 -13.3692 -13.3692 -13.1545 -13.1545 -13.1441 -13.1441 -12.8191 -12.8191 -12.8177 -12.8177 -11.6321 -11.6321 -11.6277 -11.6277 -5.9614 -5.9614 -3.3926 -3.3926 -2.7609 -2.7609 -2.6991 -2.6991 -1.7396 -1.7396 -1.6912 -1.6912 -1.5295 -1.5295 -1.2971 -1.2971 -1.2790 -1.2790 -1.1733 -1.1733 -1.0860 -1.0860 -1.0805 -1.0805 -0.4728 -0.4728 -0.4339 -0.4339 -0.3749 -0.3749 -0.3109 -0.3109 -0.2679 -0.2679 -0.1865 -0.1865 -0.1176 -0.1176 -0.0930 -0.0930 0.2441 0.2441 0.2558 0.2558 0.2775 0.2775 0.2886 0.2886 3.2138 3.2138 6.3104 6.3104 7.5359 7.5359 k = 0.5188 0.2345 0.2347 ( 9637 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0211 -20.0211 -20.0211 -20.0211 -19.9288 -19.9288 -13.9022 -13.9022 -13.3676 -13.3676 -13.1558 -13.1558 -13.1454 -13.1454 -12.8202 -12.8202 -12.8169 -12.8169 -11.6321 -11.6321 -11.6277 -11.6277 -5.9593 -5.9593 -3.3868 -3.3868 -2.7629 -2.7629 -2.7008 -2.7008 -1.7361 -1.7361 -1.6875 -1.6875 -1.5301 -1.5301 -1.3005 -1.3005 -1.2833 -1.2833 -1.1769 -1.1769 -1.0771 -1.0771 -1.0704 -1.0704 -0.4816 -0.4816 -0.4406 -0.4406 -0.3810 -0.3810 -0.3201 -0.3201 -0.2701 -0.2701 -0.1882 -0.1882 -0.1115 -0.1115 -0.0847 -0.0847 0.2391 0.2391 0.2499 0.2499 0.2777 0.2777 0.2884 0.2884 3.2197 3.2197 6.3250 6.3250 7.5351 7.5351 k = 0.5250 0.2165 0.2449 ( 9630 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0211 -20.0211 -20.0211 -20.0211 -19.9288 -19.9288 -13.9010 -13.9010 -13.3654 -13.3654 -13.1579 -13.1579 -13.1470 -13.1470 -12.8217 -12.8217 -12.8158 -12.8158 -11.6321 -11.6321 -11.6279 -11.6279 -5.9565 -5.9565 -3.3787 -3.3787 -2.7657 -2.7657 -2.7031 -2.7031 -1.7313 -1.7313 -1.6824 -1.6824 -1.5307 -1.5307 -1.3053 -1.3053 -1.2886 -1.2886 -1.1799 -1.1799 -1.0659 -1.0659 -1.0578 -1.0578 -0.4949 -0.4949 -0.4492 -0.4492 -0.3881 -0.3881 -0.3346 -0.3346 -0.2707 -0.2707 -0.1902 -0.1902 -0.1035 -0.1035 -0.0745 -0.0745 0.2317 0.2317 0.2438 0.2438 0.2759 0.2759 0.2888 0.2888 3.2277 3.2277 6.3451 6.3451 7.5339 7.5339 k = 0.5312 0.1985 0.2552 ( 9627 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0211 -20.0211 -20.0211 -20.0211 -19.9288 -19.9288 -13.8995 -13.8995 -13.3627 -13.3627 -13.1606 -13.1606 -13.1488 -13.1488 -12.8236 -12.8236 -12.8145 -12.8145 -11.6321 -11.6321 -11.6281 -11.6281 -5.9529 -5.9529 -3.3684 -3.3684 -2.7693 -2.7693 -2.7059 -2.7059 -1.7253 -1.7253 -1.6759 -1.6759 -1.5312 -1.5312 -1.3113 -1.3113 -1.2946 -1.2946 -1.1814 -1.1814 -1.0529 -1.0529 -1.0436 -1.0436 -0.5124 -0.5124 -0.4597 -0.4597 -0.3952 -0.3952 -0.3536 -0.3536 -0.2706 -0.2706 -0.1921 -0.1921 -0.0943 -0.0943 -0.0633 -0.0633 0.2219 0.2219 0.2377 0.2377 0.2719 0.2719 0.2897 0.2897 3.2377 3.2377 6.3705 6.3705 7.5324 7.5324 k = 0.5375 0.1804 0.2654 ( 9627 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0211 -20.0211 -20.0211 -20.0211 -19.9288 -19.9288 -13.8978 -13.8978 -13.3593 -13.3593 -13.1640 -13.1640 -13.1508 -13.1508 -12.8259 -12.8259 -12.8129 -12.8129 -11.6320 -11.6320 -11.6282 -11.6282 -5.9486 -5.9486 -3.3560 -3.3560 -2.7739 -2.7739 -2.7091 -2.7091 -1.7185 -1.7185 -1.6680 -1.6680 -1.5315 -1.5315 -1.3182 -1.3182 -1.3011 -1.3011 -1.1811 -1.1811 -1.0385 -1.0385 -1.0284 -1.0284 -0.5338 -0.5338 -0.4725 -0.4725 -0.4019 -0.4019 -0.3756 -0.3756 -0.2709 -0.2709 -0.1933 -0.1933 -0.0843 -0.0843 -0.0515 -0.0515 0.2103 0.2103 0.2317 0.2317 0.2661 0.2661 0.2908 0.2908 3.2495 3.2495 6.4008 6.4008 7.5305 7.5305 k = 0.5437 0.1624 0.2756 ( 9627 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0212 -20.0212 -20.0211 -20.0211 -19.9288 -19.9288 -13.8957 -13.8957 -13.3554 -13.3554 -13.1681 -13.1681 -13.1530 -13.1530 -12.8286 -12.8286 -12.8110 -12.8110 -11.6320 -11.6320 -11.6285 -11.6285 -5.9437 -5.9437 -3.3417 -3.3417 -2.7794 -2.7794 -2.7128 -2.7128 -1.7111 -1.7111 -1.6586 -1.6586 -1.5314 -1.5314 -1.3256 -1.3256 -1.3081 -1.3081 -1.1789 -1.1789 -1.0231 -1.0231 -1.0124 -1.0124 -0.5582 -0.5582 -0.4880 -0.4880 -0.4101 -0.4101 -0.3974 -0.3974 -0.2727 -0.2727 -0.1932 -0.1932 -0.0738 -0.0738 -0.0394 -0.0394 0.1973 0.1973 0.2255 0.2255 0.2586 0.2586 0.2919 0.2919 3.2629 3.2629 6.4355 6.4355 7.5283 7.5283 k = 0.5500 0.1443 0.2858 ( 9641 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0212 -20.0212 -20.0211 -20.0211 -19.9288 -19.9288 -13.8935 -13.8935 -13.3509 -13.3509 -13.1728 -13.1728 -13.1553 -13.1553 -12.8317 -12.8317 -12.8089 -12.8089 -11.6321 -11.6321 -11.6287 -11.6287 -5.9384 -5.9384 -3.3255 -3.3255 -2.7858 -2.7858 -2.7168 -2.7168 -1.7035 -1.7035 -1.6479 -1.6479 -1.5306 -1.5306 -1.3333 -1.3333 -1.3153 -1.3153 -1.1749 -1.1749 -1.0069 -1.0069 -0.9959 -0.9959 -0.5851 -0.5851 -0.5061 -0.5061 -0.4306 -0.4306 -0.4076 -0.4076 -0.2766 -0.2766 -0.1916 -0.1916 -0.0632 -0.0632 -0.0273 -0.0273 0.1833 0.1833 0.2189 0.2189 0.2500 0.2500 0.2927 0.2927 3.2775 3.2775 6.4741 6.4741 7.5257 7.5257 k = 0.5563 0.1263 0.2960 ( 9637 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0212 -20.0212 -20.0211 -20.0211 -19.9288 -19.9288 -13.8911 -13.8911 -13.3460 -13.3460 -13.1781 -13.1781 -13.1577 -13.1577 -12.8351 -12.8351 -12.8066 -12.8066 -11.6321 -11.6321 -11.6289 -11.6289 -5.9326 -5.9326 -3.3076 -3.3076 -2.7929 -2.7929 -2.7212 -2.7212 -1.6961 -1.6961 -1.6357 -1.6357 -1.5288 -1.5288 -1.3413 -1.3413 -1.3222 -1.3222 -1.1692 -1.1692 -0.9903 -0.9903 -0.9789 -0.9789 -0.6141 -0.6141 -0.5264 -0.5264 -0.4577 -0.4577 -0.4118 -0.4118 -0.2826 -0.2826 -0.1882 -0.1882 -0.0526 -0.0526 -0.0153 -0.0153 0.1688 0.1688 0.2120 0.2120 0.2404 0.2404 0.2933 0.2933 3.2932 3.2932 6.5159 6.5159 7.5230 7.5230 k = 0.5625 0.1083 0.3062 ( 9632 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0212 -20.0212 -20.0211 -20.0211 -19.9288 -19.9288 -13.8885 -13.8885 -13.3405 -13.3405 -13.1838 -13.1838 -13.1602 -13.1602 -12.8389 -12.8389 -12.8041 -12.8041 -11.6321 -11.6321 -11.6291 -11.6291 -5.9265 -5.9265 -3.2883 -3.2883 -2.8007 -2.8007 -2.7258 -2.7258 -1.6894 -1.6894 -1.6221 -1.6221 -1.5257 -1.5257 -1.3498 -1.3498 -1.3284 -1.3284 -1.1622 -1.1622 -0.9733 -0.9733 -0.9617 -0.9617 -0.6447 -0.6447 -0.5485 -0.5485 -0.4861 -0.4861 -0.4149 -0.4149 -0.2909 -0.2909 -0.1831 -0.1831 -0.0423 -0.0423 -0.0037 -0.0037 0.1541 0.1541 0.2045 0.2045 0.2303 0.2303 0.2935 0.2935 3.3096 3.3096 6.5603 6.5603 7.5202 7.5202 k = 0.5687 0.0902 0.3164 ( 9636 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0212 -20.0212 -20.0211 -20.0211 -19.9288 -19.9288 -13.8858 -13.8858 -13.3347 -13.3347 -13.1898 -13.1898 -13.1627 -13.1627 -12.8429 -12.8429 -12.8015 -12.8015 -11.6323 -11.6323 -11.6293 -11.6293 -5.9202 -5.9202 -3.2677 -3.2677 -2.8089 -2.8089 -2.7309 -2.7309 -1.6838 -1.6838 -1.6073 -1.6073 -1.5209 -1.5209 -1.3590 -1.3590 -1.3335 -1.3335 -1.1539 -1.1539 -0.9563 -0.9563 -0.9442 -0.9442 -0.6765 -0.6765 -0.5721 -0.5721 -0.5148 -0.5148 -0.4176 -0.4176 -0.3010 -0.3010 -0.1766 -0.1766 -0.0324 -0.0324 0.0073 0.0073 0.1397 0.1397 0.1960 0.1960 0.2203 0.2203 0.2934 0.2934 3.3263 3.3263 6.6064 6.6064 7.5176 7.5176 k = 0.5750 0.0722 0.3266 ( 9643 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0212 -20.0212 -20.0211 -20.0211 -19.9288 -19.9288 -13.8831 -13.8831 -13.3284 -13.3284 -13.1960 -13.1960 -13.1654 -13.1654 -12.8472 -12.8472 -12.7987 -12.7987 -11.6324 -11.6324 -11.6294 -11.6294 -5.9138 -5.9138 -3.2463 -3.2463 -2.8173 -2.8173 -2.7362 -2.7362 -1.6796 -1.6796 -1.5913 -1.5913 -1.5143 -1.5143 -1.3689 -1.3689 -1.3371 -1.3371 -1.1447 -1.1447 -0.9393 -0.9393 -0.9266 -0.9266 -0.7092 -0.7092 -0.5968 -0.5968 -0.5434 -0.5434 -0.4201 -0.4201 -0.3126 -0.3126 -0.1690 -0.1690 -0.0231 -0.0231 0.0171 0.0171 0.1262 0.1262 0.1863 0.1863 0.2112 0.2112 0.2930 0.2930 3.3430 3.3430 6.6533 6.6533 7.5153 7.5153 k = 0.5813 0.0541 0.3368 ( 9626 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0212 -20.0212 -20.0211 -20.0211 -19.9288 -19.9288 -13.8804 -13.8804 -13.3219 -13.3219 -13.2023 -13.2023 -13.1681 -13.1681 -12.8518 -12.8518 -12.7958 -12.7958 -11.6327 -11.6327 -11.6295 -11.6295 -5.9075 -5.9075 -3.2243 -3.2243 -2.8256 -2.8256 -2.7420 -2.7420 -1.6772 -1.6772 -1.5743 -1.5743 -1.5058 -1.5058 -1.3795 -1.3795 -1.3393 -1.3393 -1.1349 -1.1349 -0.9225 -0.9225 -0.9088 -0.9088 -0.7423 -0.7423 -0.6222 -0.6222 -0.5711 -0.5711 -0.4226 -0.4226 -0.3254 -0.3254 -0.1605 -0.1605 -0.0147 -0.0147 0.0252 0.0252 0.1146 0.1146 0.1753 0.1753 0.2033 0.2033 0.2923 0.2923 3.3594 3.3594 6.7000 6.7000 7.5136 7.5136 k = 0.5875 0.0361 0.3470 ( 9616 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0212 -20.0212 -20.0211 -20.0211 -19.9288 -19.9288 -13.8778 -13.8778 -13.3151 -13.3151 -13.2086 -13.2086 -13.1709 -13.1709 -12.8565 -12.8565 -12.7928 -12.7928 -11.6330 -11.6330 -11.6294 -11.6294 -5.9015 -5.9015 -3.2023 -3.2023 -2.8335 -2.8335 -2.7481 -2.7481 -1.6765 -1.6765 -1.5569 -1.5569 -1.4956 -1.4956 -1.3904 -1.3904 -1.3402 -1.3402 -1.1247 -1.1247 -0.9060 -0.9060 -0.8911 -0.8911 -0.7753 -0.7753 -0.6478 -0.6478 -0.5975 -0.5975 -0.4253 -0.4253 -0.3392 -0.3392 -0.1512 -0.1512 -0.0075 -0.0075 0.0303 0.0303 0.1063 0.1063 0.1635 0.1635 0.1966 0.1966 0.2913 0.2913 3.3751 3.3751 6.7455 6.7455 7.5128 7.5128 k = 0.5938 0.0180 0.3572 ( 9614 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0212 -20.0212 -20.0211 -20.0211 -19.9288 -19.9288 -13.8753 -13.8753 -13.3082 -13.3082 -13.2146 -13.2146 -13.1737 -13.1737 -12.8614 -12.8614 -12.7898 -12.7898 -11.6333 -11.6333 -11.6293 -11.6293 -5.8957 -5.8957 -3.1807 -3.1807 -2.8406 -2.8406 -2.7546 -2.7546 -1.6775 -1.6775 -1.5396 -1.5396 -1.4840 -1.4840 -1.4009 -1.4009 -1.3398 -1.3398 -1.1148 -1.1148 -0.8907 -0.8907 -0.8736 -0.8736 -0.8071 -0.8071 -0.6730 -0.6730 -0.6220 -0.6220 -0.4282 -0.4282 -0.3538 -0.3538 -0.1414 -0.1414 -0.0021 -0.0021 0.0314 0.0314 0.1028 0.1028 0.1519 0.1519 0.1909 0.1909 0.2899 0.2899 3.3898 3.3898 6.7886 6.7886 7.5131 7.5131 k = 0.6000-0.0000 0.3674 ( 9618 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0212 -20.0212 -20.0211 -20.0211 -19.9288 -19.9288 -13.8731 -13.8731 -13.3013 -13.3013 -13.2204 -13.2204 -13.1765 -13.1765 -12.8664 -12.8664 -12.7867 -12.7867 -11.6337 -11.6337 -11.6292 -11.6292 -5.8905 -5.8905 -3.1601 -3.1601 -2.8465 -2.8465 -2.7614 -2.7614 -1.6800 -1.6800 -1.5235 -1.5235 -1.4717 -1.4717 -1.4098 -1.4098 -1.3384 -1.3384 -1.1057 -1.1057 -0.8796 -0.8796 -0.8565 -0.8565 -0.8337 -0.8337 -0.6973 -0.6973 -0.6440 -0.6440 -0.4315 -0.4315 -0.3689 -0.3689 -0.1312 -0.1312 0.0006 0.0006 0.0285 0.0285 0.1043 0.1043 0.1413 0.1413 0.1861 0.1861 0.2883 0.2883 3.4031 3.4031 6.8282 6.8282 7.5145 7.5145 k = 0.6062-0.0180 0.3776 ( 9634 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0212 -20.0212 -20.0211 -20.0211 -19.9288 -19.9288 -13.8711 -13.8711 -13.2946 -13.2946 -13.2255 -13.2255 -13.1793 -13.1793 -12.8713 -12.8713 -12.7836 -12.7836 -11.6342 -11.6342 -11.6289 -11.6289 -5.8858 -5.8858 -3.1411 -3.1411 -2.8509 -2.8509 -2.7683 -2.7683 -1.6840 -1.6840 -1.5109 -1.5109 -1.4595 -1.4595 -1.4147 -1.4147 -1.3360 -1.3360 -1.0985 -1.0985 -0.8859 -0.8859 -0.8444 -0.8444 -0.8371 -0.8371 -0.7197 -0.7197 -0.6630 -0.6630 -0.4352 -0.4352 -0.3843 -0.3843 -0.1205 -0.1205 -0.0001 -0.0001 0.0237 0.0237 0.1094 0.1094 0.1328 0.1328 0.1821 0.1821 0.2865 0.2865 3.4147 3.4147 6.8634 6.8634 7.5169 7.5169 k = 0.6125-0.0361 0.3878 ( 9628 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0212 -20.0212 -20.0211 -20.0211 -19.9288 -19.9288 -13.8694 -13.8694 -13.2882 -13.2882 -13.2297 -13.2297 -13.1820 -13.1820 -12.8763 -12.8763 -12.7805 -12.7805 -11.6346 -11.6346 -11.6287 -11.6287 -5.8820 -5.8820 -3.1244 -3.1244 -2.8537 -2.8537 -2.7751 -2.7751 -1.6892 -1.6892 -1.5049 -1.5049 -1.4477 -1.4477 -1.4124 -1.4124 -1.3327 -1.3327 -1.0947 -1.0947 -0.9071 -0.9071 -0.8352 -0.8352 -0.8210 -0.8210 -0.7386 -0.7386 -0.6785 -0.6785 -0.4395 -0.4395 -0.3996 -0.3996 -0.1096 -0.1096 -0.0046 -0.0046 0.0182 0.0182 0.1158 0.1158 0.1277 0.1277 0.1788 0.1788 0.2845 0.2845 3.4243 3.4243 6.8935 6.8935 7.5197 7.5197 k = 0.6188-0.0541 0.3980 ( 9628 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0212 -20.0212 -20.0211 -20.0211 -19.9288 -19.9288 -13.8681 -13.8681 -13.2827 -13.2827 -13.2328 -13.2328 -13.1847 -13.1847 -12.8811 -12.8811 -12.7774 -12.7774 -11.6351 -11.6351 -11.6284 -11.6284 -5.8790 -5.8790 -3.1104 -3.1104 -2.8550 -2.8550 -2.7813 -2.7813 -1.6955 -1.6955 -1.5072 -1.5072 -1.4355 -1.4355 -1.4033 -1.4033 -1.3284 -1.3284 -1.0965 -1.0965 -0.9268 -0.9268 -0.8267 -0.8267 -0.8042 -0.8042 -0.7515 -0.7515 -0.6899 -0.6899 -0.4446 -0.4446 -0.4146 -0.4146 -0.0985 -0.0985 -0.0115 -0.0115 0.0118 0.0118 0.1197 0.1197 0.1294 0.1294 0.1762 0.1762 0.2823 0.2823 3.4316 3.4316 6.9180 6.9180 7.5221 7.5221 k = 0.6250-0.0722 0.4082 ( 9631 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0212 -20.0212 -20.0211 -20.0211 -19.9288 -19.9288 -13.8673 -13.8673 -13.2783 -13.2783 -13.2342 -13.2342 -13.1874 -13.1874 -12.8857 -12.8857 -12.7744 -12.7744 -11.6355 -11.6355 -11.6281 -11.6281 -5.8769 -5.8769 -3.0995 -3.0995 -2.8557 -2.8557 -2.7862 -2.7862 -1.7029 -1.7029 -1.5154 -1.5154 -1.4230 -1.4230 -1.3909 -1.3909 -1.3226 -1.3226 -1.1053 -1.1053 -0.9402 -0.9402 -0.8241 -0.8241 -0.7871 -0.7871 -0.7553 -0.7553 -0.6968 -0.6968 -0.4510 -0.4510 -0.4286 -0.4286 -0.0874 -0.0874 -0.0192 -0.0192 0.0040 0.0040 0.1211 0.1211 0.1369 0.1369 0.1745 0.1745 0.2799 0.2799 3.4364 3.4364 6.9369 6.9369 7.5229 7.5229 k = 0.6250-0.0722 0.4082 ( 9631 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0212 -20.0212 -20.0211 -20.0211 -19.9288 -19.9288 -13.8673 -13.8673 -13.2783 -13.2783 -13.2342 -13.2342 -13.1874 -13.1874 -12.8857 -12.8857 -12.7744 -12.7744 -11.6355 -11.6355 -11.6281 -11.6281 -5.8769 -5.8769 -3.0995 -3.0995 -2.8557 -2.8557 -2.7862 -2.7862 -1.7029 -1.7029 -1.5154 -1.5154 -1.4230 -1.4230 -1.3909 -1.3909 -1.3226 -1.3226 -1.1053 -1.1053 -0.9402 -0.9402 -0.8241 -0.8241 -0.7871 -0.7871 -0.7553 -0.7553 -0.6968 -0.6968 -0.4510 -0.4510 -0.4286 -0.4286 -0.0874 -0.0874 -0.0192 -0.0192 0.0040 0.0040 0.1211 0.1211 0.1369 0.1369 0.1745 0.1745 0.2799 0.2799 3.4364 3.4364 6.9369 6.9369 7.5229 7.5229 k = 0.6146-0.0662 0.4253 ( 9622 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0212 -20.0212 -20.0211 -20.0211 -19.9288 -19.9288 -13.8673 -13.8673 -13.2781 -13.2781 -13.2342 -13.2342 -13.1879 -13.1879 -12.8854 -12.8854 -12.7746 -12.7746 -11.6355 -11.6355 -11.6281 -11.6281 -5.8768 -5.8768 -3.0986 -3.0986 -2.8562 -2.8562 -2.7868 -2.7868 -1.7021 -1.7021 -1.5150 -1.5150 -1.4290 -1.4290 -1.3843 -1.3843 -1.3219 -1.3219 -1.1062 -1.1062 -0.9435 -0.9435 -0.8221 -0.8221 -0.7870 -0.7870 -0.7543 -0.7543 -0.6980 -0.6980 -0.4525 -0.4525 -0.4272 -0.4272 -0.0888 -0.0888 -0.0188 -0.0188 0.0051 0.0051 0.1199 0.1199 0.1371 0.1371 0.1754 0.1754 0.2791 0.2791 3.4367 3.4367 6.9384 6.9384 7.5226 7.5226 k = 0.6042-0.0601 0.4423 ( 9629 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0212 -20.0212 -20.0211 -20.0211 -19.9288 -19.9288 -13.8671 -13.8671 -13.2773 -13.2773 -13.2341 -13.2341 -13.1893 -13.1893 -12.8845 -12.8845 -12.7752 -12.7752 -11.6354 -11.6354 -11.6282 -11.6282 -5.8764 -5.8764 -3.0959 -3.0959 -2.8575 -2.8575 -2.7886 -2.7886 -1.6997 -1.6997 -1.5138 -1.5138 -1.4404 -1.4404 -1.3707 -1.3707 -1.3198 -1.3198 -1.1087 -1.1087 -0.9528 -0.9528 -0.8174 -0.8174 -0.7861 -0.7861 -0.7517 -0.7517 -0.7012 -0.7012 -0.4580 -0.4580 -0.4221 -0.4221 -0.0929 -0.0929 -0.0178 -0.0178 0.0084 0.0084 0.1166 0.1166 0.1376 0.1376 0.1777 0.1777 0.2769 0.2769 3.4377 3.4377 6.9429 6.9429 7.5216 7.5216 k = 0.5938-0.0541 0.4593 ( 9632 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0212 -20.0212 -20.0211 -20.0211 -19.9288 -19.9288 -13.8668 -13.8668 -13.2761 -13.2761 -13.2339 -13.2339 -13.1915 -13.1915 -12.8830 -12.8830 -12.7762 -12.7762 -11.6352 -11.6352 -11.6283 -11.6283 -5.8758 -5.8758 -3.0916 -3.0916 -2.8598 -2.8598 -2.7915 -2.7915 -1.6958 -1.6958 -1.5124 -1.5124 -1.4521 -1.4521 -1.3551 -1.3551 -1.3164 -1.3164 -1.1128 -1.1128 -0.9663 -0.9663 -0.8125 -0.8125 -0.7828 -0.7828 -0.7484 -0.7484 -0.7055 -0.7055 -0.4682 -0.4682 -0.4129 -0.4129 -0.0996 -0.0996 -0.0160 -0.0160 0.0136 0.0136 0.1115 0.1115 0.1385 0.1385 0.1810 0.1810 0.2732 0.2732 3.4394 3.4394 6.9499 6.9499 7.5200 7.5200 k = 0.5833-0.0481 0.4763 ( 9634 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0212 -20.0212 -20.0211 -20.0211 -19.9288 -19.9288 -13.8664 -13.8664 -13.2744 -13.2744 -13.2337 -13.2337 -13.1946 -13.1946 -12.8810 -12.8810 -12.7776 -12.7776 -11.6351 -11.6351 -11.6286 -11.6286 -5.8750 -5.8750 -3.0857 -3.0857 -2.8629 -2.8629 -2.7954 -2.7954 -1.6904 -1.6904 -1.5120 -1.5120 -1.4619 -1.4619 -1.3386 -1.3386 -1.3116 -1.3116 -1.1182 -1.1182 -0.9829 -0.9829 -0.8094 -0.8094 -0.7761 -0.7761 -0.7457 -0.7457 -0.7092 -0.7092 -0.4826 -0.4826 -0.4001 -0.4001 -0.1087 -0.1087 -0.0135 -0.0135 0.0204 0.0204 0.1053 0.1053 0.1395 0.1395 0.1849 0.1849 0.2681 0.2681 3.4416 3.4416 6.9593 6.9593 7.5181 7.5181 k = 0.5729-0.0421 0.4933 ( 9628 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0212 -20.0212 -20.0211 -20.0211 -19.9288 -19.9288 -13.8659 -13.8659 -13.2723 -13.2723 -13.2334 -13.2334 -13.1984 -13.1984 -12.8787 -12.8787 -12.7793 -12.7793 -11.6348 -11.6348 -11.6288 -11.6288 -5.8741 -5.8741 -3.0785 -3.0785 -2.8668 -2.8668 -2.7998 -2.7998 -1.6835 -1.6835 -1.5145 -1.5145 -1.4677 -1.4677 -1.3224 -1.3224 -1.3051 -1.3051 -1.1249 -1.1249 -1.0015 -1.0015 -0.8080 -0.8080 -0.7674 -0.7674 -0.7449 -0.7449 -0.7102 -0.7102 -0.5005 -0.5005 -0.3846 -0.3846 -0.1201 -0.1201 -0.0104 -0.0104 0.0284 0.0284 0.0982 0.0982 0.1405 0.1405 0.1890 0.1890 0.2620 0.2620 3.4442 3.4442 6.9704 6.9704 7.5161 7.5161 k = 0.5625-0.0361 0.5103 ( 9622 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0212 -20.0212 -20.0211 -20.0211 -19.9288 -19.9288 -13.8654 -13.8654 -13.2697 -13.2697 -13.2330 -13.2330 -13.2027 -13.2027 -12.8761 -12.8761 -12.7812 -12.7812 -11.6345 -11.6345 -11.6292 -11.6292 -5.8730 -5.8730 -3.0702 -3.0702 -2.8713 -2.8713 -2.8047 -2.8047 -1.6753 -1.6753 -1.5214 -1.5214 -1.4683 -1.4683 -1.3088 -1.3088 -1.2949 -1.2949 -1.1322 -1.1322 -1.0216 -1.0216 -0.8070 -0.8070 -0.7605 -0.7605 -0.7443 -0.7443 -0.7074 -0.7074 -0.5212 -0.5212 -0.3672 -0.3672 -0.1336 -0.1336 -0.0065 -0.0065 0.0371 0.0371 0.0907 0.0907 0.1413 0.1413 0.1932 0.1932 0.2549 0.2549 3.4472 3.4472 6.9826 6.9826 7.5143 7.5143 k = 0.5521-0.0301 0.5273 ( 9633 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0212 -20.0212 -20.0211 -20.0211 -19.9288 -19.9288 -13.8649 -13.8649 -13.2669 -13.2669 -13.2327 -13.2327 -13.2074 -13.2074 -12.8734 -12.8734 -12.7832 -12.7832 -11.6342 -11.6342 -11.6295 -11.6295 -5.8718 -5.8718 -3.0613 -3.0613 -2.8763 -2.8763 -2.8098 -2.8098 -1.6657 -1.6657 -1.5317 -1.5317 -1.4650 -1.4650 -1.2998 -1.2998 -1.2795 -1.2795 -1.1397 -1.1397 -1.0427 -1.0427 -0.8060 -0.8060 -0.7612 -0.7612 -0.7377 -0.7377 -0.7018 -0.7018 -0.5440 -0.5440 -0.3484 -0.3484 -0.1488 -0.1488 -0.0022 -0.0022 0.0461 0.0461 0.0830 0.0830 0.1417 0.1417 0.1973 0.1973 0.2472 0.2472 3.4502 3.4502 6.9950 6.9950 7.5130 7.5130 k = 0.5417-0.0241 0.5443 ( 9634 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0212 -20.0212 -20.0211 -20.0211 -19.9288 -19.9288 -13.8643 -13.8643 -13.2638 -13.2638 -13.2323 -13.2323 -13.2122 -13.2122 -12.8708 -12.8708 -12.7852 -12.7852 -11.6338 -11.6338 -11.6300 -11.6300 -5.8707 -5.8707 -3.0524 -3.0524 -2.8812 -2.8812 -2.8148 -2.8148 -1.6550 -1.6550 -1.5439 -1.5439 -1.4598 -1.4598 -1.2933 -1.2933 -1.2620 -1.2620 -1.1465 -1.1465 -1.0645 -1.0645 -0.8045 -0.8045 -0.7661 -0.7661 -0.7274 -0.7274 -0.6947 -0.6947 -0.5679 -0.5679 -0.3287 -0.3287 -0.1655 -0.1655 0.0027 0.0027 0.0545 0.0545 0.0759 0.0759 0.1415 0.1415 0.2013 0.2013 0.2393 0.2393 3.4532 3.4532 7.0068 7.0068 7.5126 7.5126 k = 0.5312-0.0180 0.5613 ( 9625 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0212 -20.0212 -20.0211 -20.0211 -19.9288 -19.9288 -13.8638 -13.8638 -13.2606 -13.2606 -13.2320 -13.2320 -13.2169 -13.2169 -12.8685 -12.8685 -12.7871 -12.7871 -11.6334 -11.6334 -11.6304 -11.6304 -5.8697 -5.8697 -3.0442 -3.0442 -2.8855 -2.8855 -2.8194 -2.8194 -1.6432 -1.6432 -1.5570 -1.5570 -1.4540 -1.4540 -1.2883 -1.2883 -1.2441 -1.2441 -1.1519 -1.1519 -1.0864 -1.0864 -0.8025 -0.8025 -0.7714 -0.7714 -0.7165 -0.7165 -0.6872 -0.6872 -0.5921 -0.5921 -0.3084 -0.3084 -0.1835 -0.1835 0.0078 0.0078 0.0596 0.0596 0.0720 0.0720 0.1404 0.1404 0.2051 0.2051 0.2318 0.2318 3.4559 3.4559 7.0170 7.0170 7.5131 7.5131 k = 0.5208-0.0120 0.5784 ( 9622 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0212 -20.0212 -20.0211 -20.0211 -19.9288 -19.9288 -13.8634 -13.8634 -13.2576 -13.2576 -13.2318 -13.2318 -13.2210 -13.2210 -12.8666 -12.8666 -12.7886 -12.7886 -11.6329 -11.6329 -11.6309 -11.6309 -5.8689 -5.8689 -3.0375 -3.0375 -2.8887 -2.8887 -2.8234 -2.8234 -1.6307 -1.6307 -1.5705 -1.5705 -1.4488 -1.4488 -1.2850 -1.2850 -1.2269 -1.2269 -1.1552 -1.1552 -1.1074 -1.1074 -0.8003 -0.8003 -0.7759 -0.7759 -0.7056 -0.7056 -0.6807 -0.6807 -0.6146 -0.6146 -0.2879 -0.2879 -0.2024 -0.2024 0.0127 0.0127 0.0569 0.0569 0.0756 0.0756 0.1384 0.1384 0.2087 0.2087 0.2251 0.2251 3.4581 3.4581 7.0248 7.0248 7.5144 7.5144 k = 0.5104-0.0060 0.5954 ( 9622 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0212 -20.0212 -20.0211 -20.0211 -19.9288 -19.9288 -13.8631 -13.8631 -13.2552 -13.2552 -13.2320 -13.2320 -13.2237 -13.2237 -12.8654 -12.8654 -12.7896 -12.7896 -11.6325 -11.6325 -11.6314 -11.6314 -5.8683 -5.8683 -3.0331 -3.0331 -2.8904 -2.8904 -2.8263 -2.8263 -1.6179 -1.6179 -1.5837 -1.5837 -1.4452 -1.4452 -1.2834 -1.2834 -1.2121 -1.2121 -1.1572 -1.1572 -1.1244 -1.1244 -0.7982 -0.7982 -0.7790 -0.7790 -0.6949 -0.6949 -0.6782 -0.6782 -0.6318 -0.6318 -0.2679 -0.2679 -0.2215 -0.2215 0.0168 0.0168 0.0525 0.0525 0.0805 0.0805 0.1363 0.1363 0.2120 0.2120 0.2198 0.2198 3.4596 3.4596 7.0297 7.0297 7.5159 7.5159 k = 0.5000-0.0000 0.6124 ( 9620 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0212 -20.0212 -20.0211 -20.0211 -19.9288 -19.9288 -13.8630 -13.8630 -13.2543 -13.2543 -13.2323 -13.2323 -13.2246 -13.2246 -12.8650 -12.8650 -12.7900 -12.7900 -11.6320 -11.6320 -11.6319 -11.6319 -5.8681 -5.8681 -3.0317 -3.0317 -2.8909 -2.8909 -2.8275 -2.8275 -1.6098 -1.6098 -1.5920 -1.5920 -1.4439 -1.4439 -1.2830 -1.2830 -1.2050 -1.2050 -1.1590 -1.1590 -1.1311 -1.1311 -0.7972 -0.7972 -0.7802 -0.7802 -0.6859 -0.6859 -0.6830 -0.6830 -0.6377 -0.6377 -0.2545 -0.2545 -0.2346 -0.2346 0.0184 0.0184 0.0507 0.0507 0.0826 0.0826 0.1352 0.1352 0.2142 0.2142 0.2171 0.2171 3.4601 3.4601 7.0314 7.0314 7.5166 7.5166 k = 0.5000-0.0000 0.6124 ( 9620 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0212 -20.0212 -20.0211 -20.0211 -19.9288 -19.9288 -13.8630 -13.8630 -13.2543 -13.2543 -13.2323 -13.2323 -13.2246 -13.2246 -12.8650 -12.8650 -12.7900 -12.7900 -11.6320 -11.6320 -11.6319 -11.6319 -5.8681 -5.8681 -3.0317 -3.0317 -2.8909 -2.8909 -2.8275 -2.8275 -1.6098 -1.6098 -1.5920 -1.5920 -1.4439 -1.4439 -1.2830 -1.2830 -1.2050 -1.2050 -1.1590 -1.1590 -1.1311 -1.1311 -0.7972 -0.7972 -0.7802 -0.7802 -0.6859 -0.6859 -0.6830 -0.6830 -0.6377 -0.6377 -0.2545 -0.2545 -0.2346 -0.2346 0.0184 0.0184 0.0507 0.0507 0.0826 0.0826 0.1352 0.1352 0.2142 0.2142 0.2171 0.2171 3.4601 3.4601 7.0314 7.0314 7.5166 7.5166 k = 0.5000 0.0126 0.5946 ( 9634 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0212 -20.0212 -20.0211 -20.0211 -19.9288 -19.9288 -13.8632 -13.8632 -13.2565 -13.2565 -13.2314 -13.2314 -13.2231 -13.2231 -12.8648 -12.8648 -12.7901 -12.7901 -11.6320 -11.6320 -11.6319 -11.6319 -5.8686 -5.8686 -3.0352 -3.0352 -2.8895 -2.8895 -2.8258 -2.8258 -1.6102 -1.6102 -1.5922 -1.5922 -1.4437 -1.4437 -1.2852 -1.2852 -1.2192 -1.2192 -1.1526 -1.1526 -1.1205 -1.1205 -0.8001 -0.8001 -0.7782 -0.7782 -0.6994 -0.6994 -0.6721 -0.6721 -0.6322 -0.6322 -0.2544 -0.2544 -0.2345 -0.2345 0.0191 0.0191 0.0511 0.0511 0.0821 0.0821 0.1340 0.1340 0.2149 0.2149 0.2179 0.2179 3.4590 3.4590 7.0273 7.0273 7.5157 7.5157 k = 0.5000 0.0251 0.5769 ( 9622 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0212 -20.0212 -20.0211 -20.0211 -19.9288 -19.9288 -13.8639 -13.8639 -13.2619 -13.2619 -13.2295 -13.2295 -13.2189 -13.2189 -12.8641 -12.8641 -12.7904 -12.7904 -11.6319 -11.6319 -11.6318 -11.6318 -5.8700 -5.8700 -3.0454 -3.0454 -2.8858 -2.8858 -2.8209 -2.8209 -1.6114 -1.6114 -1.5926 -1.5926 -1.4432 -1.4432 -1.2935 -1.2935 -1.2412 -1.2412 -1.1494 -1.1494 -1.0921 -1.0921 -0.8081 -0.8081 -0.7724 -0.7724 -0.7165 -0.7165 -0.6599 -0.6599 -0.6192 -0.6192 -0.2542 -0.2542 -0.2342 -0.2342 0.0210 0.0210 0.0524 0.0524 0.0807 0.0807 0.1309 0.1309 0.2170 0.2170 0.2204 0.2204 3.4556 3.4556 7.0151 7.0151 7.5132 7.5132 k = 0.5000 0.0377 0.5591 ( 9616 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0212 -20.0212 -20.0211 -20.0211 -19.9288 -19.9288 -13.8649 -13.8649 -13.2687 -13.2687 -13.2273 -13.2273 -13.2133 -13.2133 -12.8631 -12.8631 -12.7910 -12.7910 -11.6319 -11.6319 -11.6318 -11.6318 -5.8722 -5.8722 -3.0606 -3.0606 -2.8806 -2.8806 -2.8135 -2.8135 -1.6136 -1.6136 -1.5933 -1.5933 -1.4422 -1.4422 -1.3110 -1.3110 -1.2565 -1.2565 -1.1493 -1.1493 -1.0570 -1.0570 -0.8196 -0.8196 -0.7642 -0.7642 -0.7335 -0.7335 -0.6461 -0.6461 -0.6031 -0.6031 -0.2539 -0.2539 -0.2337 -0.2337 0.0237 0.0237 0.0544 0.0544 0.0790 0.0790 0.1264 0.1264 0.2200 0.2200 0.2244 0.2244 3.4499 3.4499 6.9951 6.9951 7.5100 7.5100 k = 0.5000 0.0502 0.5414 ( 9612 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0212 -20.0212 -20.0211 -20.0211 -19.9288 -19.9288 -13.8663 -13.8663 -13.2761 -13.2761 -13.2246 -13.2246 -13.2073 -13.2073 -12.8616 -12.8616 -12.7918 -12.7918 -11.6319 -11.6319 -11.6316 -11.6316 -5.8753 -5.8753 -3.0795 -3.0795 -2.8744 -2.8744 -2.8043 -2.8043 -1.6167 -1.6167 -1.5942 -1.5942 -1.4408 -1.4408 -1.3357 -1.3357 -1.2647 -1.2647 -1.1504 -1.1504 -1.0198 -1.0198 -0.8332 -0.8332 -0.7639 -0.7639 -0.7393 -0.7393 -0.6308 -0.6308 -0.5862 -0.5862 -0.2535 -0.2535 -0.2329 -0.2329 0.0262 0.0262 0.0566 0.0566 0.0779 0.0779 0.1214 0.1214 0.2238 0.2238 0.2293 0.2293 3.4422 3.4422 6.9681 6.9681 7.5069 7.5069 k = 0.5000 0.0628 0.5236 ( 9608 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0212 -20.0212 -20.0211 -20.0211 -19.9288 -19.9288 -13.8680 -13.8680 -13.2838 -13.2838 -13.2213 -13.2213 -13.2011 -13.2011 -12.8598 -12.8598 -12.7927 -12.7927 -11.6319 -11.6319 -11.6314 -11.6314 -5.8791 -5.8791 -3.1009 -3.1009 -2.8675 -2.8675 -2.7943 -2.7943 -1.6209 -1.6209 -1.5952 -1.5952 -1.4390 -1.4390 -1.3624 -1.3624 -1.2698 -1.2698 -1.1522 -1.1522 -0.9820 -0.9820 -0.8478 -0.8478 -0.7797 -0.7797 -0.7253 -0.7253 -0.6145 -0.6145 -0.5692 -0.5692 -0.2532 -0.2532 -0.2318 -0.2318 0.0269 0.0269 0.0585 0.0585 0.0787 0.0787 0.1172 0.1172 0.2281 0.2281 0.2347 0.2347 3.4325 3.4325 6.9347 6.9347 7.5047 7.5047 k = 0.5000 0.0753 0.5059 ( 9622 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0212 -20.0212 -20.0211 -20.0211 -19.9288 -19.9288 -13.8700 -13.8700 -13.2915 -13.2915 -13.2176 -13.2176 -13.1951 -13.1951 -12.8576 -12.8576 -12.7939 -12.7939 -11.6319 -11.6319 -11.6312 -11.6312 -5.8837 -5.8837 -3.1238 -3.1238 -2.8601 -2.8601 -2.7839 -2.7839 -1.6262 -1.6262 -1.5965 -1.5965 -1.4375 -1.4375 -1.3877 -1.3877 -1.2739 -1.2739 -1.1545 -1.1545 -0.9449 -0.9449 -0.8628 -0.8628 -0.7978 -0.7978 -0.7051 -0.7051 -0.5977 -0.5977 -0.5525 -0.5525 -0.2529 -0.2529 -0.2304 -0.2304 0.0248 0.0248 0.0589 0.0589 0.0826 0.0826 0.1152 0.1152 0.2327 0.2327 0.2404 0.2404 3.4210 3.4210 6.8961 6.8961 7.5036 7.5036 k = 0.5000 0.0879 0.4881 ( 9622 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0212 -20.0212 -20.0211 -20.0211 -19.9288 -19.9288 -13.8723 -13.8723 -13.2992 -13.2992 -13.2133 -13.2133 -13.1894 -13.1894 -12.8551 -12.8551 -12.7953 -12.7953 -11.6319 -11.6319 -11.6310 -11.6310 -5.8888 -5.8888 -3.1477 -3.1477 -2.8522 -2.8522 -2.7738 -2.7738 -1.6325 -1.6325 -1.5980 -1.5980 -1.4396 -1.4396 -1.4069 -1.4069 -1.2776 -1.2776 -1.1573 -1.1573 -0.9115 -0.9115 -0.8772 -0.8772 -0.8133 -0.8133 -0.6815 -0.6815 -0.5810 -0.5810 -0.5362 -0.5362 -0.2528 -0.2528 -0.2286 -0.2286 0.0198 0.0198 0.0564 0.0564 0.0899 0.0899 0.1167 0.1167 0.2376 0.2376 0.2461 0.2461 3.4079 3.4079 6.8533 6.8533 7.5036 7.5036 k = 0.5000 0.1004 0.4704 ( 9624 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0212 -20.0212 -20.0211 -20.0211 -19.9288 -19.9288 -13.8748 -13.8748 -13.3068 -13.3068 -13.2086 -13.2086 -13.1840 -13.1840 -12.8524 -12.8524 -12.7968 -12.7968 -11.6320 -11.6320 -11.6307 -11.6307 -5.8945 -5.8945 -3.1720 -3.1720 -2.8438 -2.8438 -2.7643 -2.7643 -1.6397 -1.6397 -1.6001 -1.6001 -1.4524 -1.4524 -1.4123 -1.4123 -1.2811 -1.2811 -1.1606 -1.1606 -0.8988 -0.8988 -0.8825 -0.8825 -0.8177 -0.8177 -0.6555 -0.6555 -0.5644 -0.5644 -0.5205 -0.5205 -0.2529 -0.2529 -0.2264 -0.2264 0.0125 0.0125 0.0505 0.0505 0.1002 0.1002 0.1216 0.1216 0.2425 0.2425 0.2517 0.2517 3.3934 3.3934 6.8073 6.8073 7.5048 7.5048 k = 0.5000 0.1130 0.4526 ( 9620 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0212 -20.0212 -20.0211 -20.0211 -19.9288 -19.9288 -13.8774 -13.8774 -13.3141 -13.3141 -13.2036 -13.2036 -13.1790 -13.1790 -12.8495 -12.8495 -12.7984 -12.7984 -11.6320 -11.6320 -11.6305 -11.6305 -5.9005 -5.9005 -3.1963 -3.1963 -2.8352 -2.8352 -2.7554 -2.7554 -1.6476 -1.6476 -1.6030 -1.6030 -1.4707 -1.4707 -1.4085 -1.4085 -1.2844 -1.2844 -1.1641 -1.1641 -0.9118 -0.9118 -0.8857 -0.8857 -0.7988 -0.7988 -0.6277 -0.6277 -0.5481 -0.5481 -0.5053 -0.5053 -0.2534 -0.2534 -0.2238 -0.2238 0.0038 0.0038 0.0422 0.0422 0.1124 0.1124 0.1292 0.1292 0.2473 0.2473 0.2570 0.2570 3.3779 3.3779 6.7591 6.7591 7.5068 7.5068 k = 0.5000 0.1255 0.4349 ( 9626 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0212 -20.0212 -20.0211 -20.0211 -19.9288 -19.9288 -13.8801 -13.8801 -13.3211 -13.3211 -13.1984 -13.1984 -13.1743 -13.1743 -12.8464 -12.8464 -12.8002 -12.8002 -11.6320 -11.6320 -11.6302 -11.6302 -5.9068 -5.9068 -3.2202 -3.2202 -2.8264 -2.8264 -2.7473 -2.7473 -1.6561 -1.6561 -1.6072 -1.6072 -1.4882 -1.4882 -1.4013 -1.4013 -1.2874 -1.2874 -1.1677 -1.1677 -0.9269 -0.9269 -0.9005 -0.9005 -0.7665 -0.7665 -0.5988 -0.5988 -0.5322 -0.5322 -0.4907 -0.4907 -0.2541 -0.2541 -0.2208 -0.2208 -0.0059 -0.0059 0.0324 0.0324 0.1259 0.1259 0.1386 0.1386 0.2520 0.2520 0.2620 0.2620 3.3615 3.3615 6.7098 6.7098 7.5095 7.5095 k = 0.5000 0.1381 0.4171 ( 9634 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0212 -20.0212 -20.0211 -20.0211 -19.9288 -19.9288 -13.8829 -13.8829 -13.3279 -13.3279 -13.1930 -13.1930 -13.1700 -13.1700 -12.8433 -12.8433 -12.8020 -12.8020 -11.6320 -11.6320 -11.6299 -11.6299 -5.9133 -5.9133 -3.2434 -3.2434 -2.8176 -2.8176 -2.7400 -2.7400 -1.6651 -1.6651 -1.6130 -1.6130 -1.5029 -1.5029 -1.3923 -1.3923 -1.2901 -1.2901 -1.1713 -1.1713 -0.9424 -0.9424 -0.9189 -0.9189 -0.7309 -0.7309 -0.5699 -0.5699 -0.5162 -0.5162 -0.4767 -0.4767 -0.2551 -0.2551 -0.2176 -0.2176 -0.0164 -0.0164 0.0215 0.0215 0.1400 0.1400 0.1493 0.1493 0.2565 0.2565 0.2666 0.2666 3.3446 3.3446 6.6602 6.6602 7.5126 7.5126 k = 0.5000 0.1506 0.3994 ( 9626 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0212 -20.0212 -20.0211 -20.0211 -19.9288 -19.9288 -13.8857 -13.8857 -13.3343 -13.3343 -13.1876 -13.1876 -13.1660 -13.1660 -12.8401 -12.8401 -12.8039 -12.8039 -11.6320 -11.6320 -11.6296 -11.6296 -5.9197 -5.9197 -3.2657 -3.2657 -2.8090 -2.8090 -2.7334 -2.7334 -1.6743 -1.6743 -1.6204 -1.6204 -1.5142 -1.5142 -1.3822 -1.3822 -1.2923 -1.2923 -1.1747 -1.1747 -0.9580 -0.9580 -0.9383 -0.9383 -0.6950 -0.6950 -0.5423 -0.5423 -0.4995 -0.4995 -0.4631 -0.4631 -0.2564 -0.2564 -0.2142 -0.2142 -0.0273 -0.0273 0.0101 0.0101 0.1544 0.1544 0.1608 0.1608 0.2608 0.2608 0.2707 0.2707 3.3275 3.3275 6.6112 6.6112 7.5159 7.5159 k = 0.5000 0.1632 0.3816 ( 9622 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0212 -20.0212 -20.0211 -20.0211 -19.9288 -19.9288 -13.8884 -13.8884 -13.3402 -13.3402 -13.1823 -13.1823 -13.1624 -13.1624 -12.8369 -12.8369 -12.8059 -12.8059 -11.6320 -11.6320 -11.6293 -11.6293 -5.9261 -5.9261 -3.2869 -3.2869 -2.8007 -2.8007 -2.7275 -2.7275 -1.6836 -1.6836 -1.6294 -1.6294 -1.5220 -1.5220 -1.3711 -1.3711 -1.2939 -1.2939 -1.1779 -1.1779 -0.9737 -0.9737 -0.9577 -0.9577 -0.6598 -0.6598 -0.5184 -0.5184 -0.4803 -0.4803 -0.4501 -0.4501 -0.2580 -0.2580 -0.2106 -0.2106 -0.0385 -0.0385 -0.0019 -0.0019 0.1685 0.1685 0.1728 0.1728 0.2646 0.2646 0.2745 0.2745 3.3106 3.3106 6.5637 6.5637 7.5192 7.5192 k = 0.5000 0.1757 0.3639 ( 9620 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0212 -20.0212 -20.0211 -20.0211 -19.9288 -19.9288 -13.8910 -13.8910 -13.3457 -13.3457 -13.1771 -13.1771 -13.1592 -13.1592 -12.8338 -12.8338 -12.8078 -12.8078 -11.6320 -11.6320 -11.6290 -11.6290 -5.9323 -5.9323 -3.3066 -3.3066 -2.7930 -2.7930 -2.7222 -2.7222 -1.6928 -1.6928 -1.6393 -1.6393 -1.5270 -1.5270 -1.3595 -1.3595 -1.2949 -1.2949 -1.1805 -1.1805 -0.9894 -0.9894 -0.9767 -0.9767 -0.6259 -0.6259 -0.4998 -0.4998 -0.4578 -0.4578 -0.4370 -0.4370 -0.2599 -0.2599 -0.2070 -0.2070 -0.0499 -0.0499 -0.0141 -0.0141 0.1819 0.1819 0.1853 0.1853 0.2682 0.2682 0.2777 0.2777 3.2940 3.2940 6.5183 6.5183 7.5224 7.5224 k = 0.5000 0.1883 0.3461 ( 9628 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0212 -20.0212 -20.0211 -20.0211 -19.9288 -19.9288 -13.8934 -13.8934 -13.3507 -13.3507 -13.1723 -13.1723 -13.1562 -13.1562 -12.8309 -12.8309 -12.8097 -12.8097 -11.6320 -11.6320 -11.6287 -11.6287 -5.9382 -5.9382 -3.3248 -3.3248 -2.7858 -2.7858 -2.7174 -2.7174 -1.7017 -1.7017 -1.6495 -1.6495 -1.5298 -1.5298 -1.3476 -1.3476 -1.2951 -1.2951 -1.1825 -1.1825 -1.0054 -1.0054 -0.9950 -0.9950 -0.5940 -0.5940 -0.4857 -0.4857 -0.4352 -0.4352 -0.4221 -0.4221 -0.2621 -0.2621 -0.2034 -0.2034 -0.0613 -0.0613 -0.0264 -0.0264 0.1941 0.1941 0.1980 0.1980 0.2713 0.2713 0.2805 0.2805 3.2781 3.2781 6.4758 6.4758 7.5254 7.5254 k = 0.5000 0.2008 0.3284 ( 9636 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0212 -20.0212 -20.0211 -20.0211 -19.9288 -19.9288 -13.8957 -13.8957 -13.3553 -13.3553 -13.1678 -13.1678 -13.1535 -13.1535 -12.8282 -12.8282 -12.8115 -12.8115 -11.6320 -11.6320 -11.6285 -11.6285 -5.9436 -5.9436 -3.3412 -3.3412 -2.7795 -2.7795 -2.7131 -2.7131 -1.7102 -1.7102 -1.6592 -1.6592 -1.5311 -1.5311 -1.3358 -1.3358 -1.2945 -1.2945 -1.1836 -1.1836 -1.0213 -1.0213 -1.0123 -1.0123 -0.5643 -0.5643 -0.4743 -0.4743 -0.4195 -0.4195 -0.4007 -0.4007 -0.2644 -0.2644 -0.1998 -0.1998 -0.0726 -0.0726 -0.0388 -0.0388 0.2054 0.2054 0.2103 0.2103 0.2739 0.2739 0.2828 0.2828 3.2633 3.2633 6.4367 6.4367 7.5281 7.5281 k = 0.5000 0.2134 0.3106 ( 9636 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0211 -20.0211 -20.0211 -20.0211 -19.9288 -19.9288 -13.8977 -13.8977 -13.3592 -13.3592 -13.1639 -13.1639 -13.1511 -13.1511 -12.8257 -12.8257 -12.8131 -12.8131 -11.6320 -11.6320 -11.6283 -11.6283 -5.9485 -5.9485 -3.3557 -3.3557 -2.7740 -2.7740 -2.7093 -2.7093 -1.7181 -1.7181 -1.6681 -1.6681 -1.5314 -1.5314 -1.3246 -1.3246 -1.2930 -1.2930 -1.1837 -1.1837 -1.0370 -1.0370 -1.0286 -1.0286 -0.5376 -0.5376 -0.4646 -0.4646 -0.4080 -0.4080 -0.3768 -0.3768 -0.2667 -0.2667 -0.1965 -0.1965 -0.0836 -0.0836 -0.0511 -0.0511 0.2157 0.2157 0.2218 0.2218 0.2761 0.2761 0.2846 0.2846 3.2498 3.2498 6.4017 6.4017 7.5304 7.5304 k = 0.5000 0.2259 0.2929 ( 9632 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0211 -20.0211 -20.0211 -20.0211 -19.9288 -19.9288 -13.8995 -13.8995 -13.3626 -13.3626 -13.1606 -13.1606 -13.1489 -13.1489 -12.8235 -12.8235 -12.8146 -12.8146 -11.6320 -11.6320 -11.6281 -11.6281 -5.9528 -5.9528 -3.3682 -3.3682 -2.7694 -2.7694 -2.7060 -2.7060 -1.7251 -1.7251 -1.6759 -1.6759 -1.5312 -1.5312 -1.3146 -1.3146 -1.2906 -1.2906 -1.1826 -1.1826 -1.0519 -1.0519 -1.0438 -1.0438 -0.5145 -0.5145 -0.4560 -0.4560 -0.3981 -0.3981 -0.3544 -0.3544 -0.2687 -0.2687 -0.1934 -0.1934 -0.0939 -0.0939 -0.0630 -0.0630 0.2250 0.2250 0.2322 0.2322 0.2776 0.2776 0.2861 0.2861 3.2379 3.2379 6.3711 6.3711 7.5323 7.5323 k = 0.5000 0.2385 0.2751 ( 9630 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0211 -20.0211 -20.0211 -20.0211 -19.9288 -19.9288 -13.9010 -13.9010 -13.3654 -13.3654 -13.1579 -13.1579 -13.1470 -13.1470 -12.8217 -12.8217 -12.8159 -12.8159 -11.6321 -11.6321 -11.6279 -11.6279 -5.9564 -5.9564 -3.3785 -3.3785 -2.7657 -2.7657 -2.7031 -2.7031 -1.7311 -1.7311 -1.6824 -1.6824 -1.5307 -1.5307 -1.3065 -1.3065 -1.2872 -1.2872 -1.1804 -1.1804 -1.0653 -1.0653 -1.0579 -1.0579 -0.4958 -0.4958 -0.4479 -0.4479 -0.3891 -0.3891 -0.3351 -0.3351 -0.2700 -0.2700 -0.1907 -0.1907 -0.1033 -0.1033 -0.0743 -0.0743 0.2330 0.2330 0.2414 0.2414 0.2784 0.2784 0.2871 0.2871 3.2278 3.2278 6.3455 6.3455 7.5339 7.5339 k = 0.5000 0.2510 0.2574 ( 9638 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0211 -20.0211 -20.0211 -20.0211 -19.9288 -19.9288 -13.9022 -13.9022 -13.3676 -13.3676 -13.1559 -13.1559 -13.1454 -13.1454 -12.8202 -12.8202 -12.8169 -12.8169 -11.6321 -11.6321 -11.6278 -11.6278 -5.9593 -5.9593 -3.3867 -3.3867 -2.7629 -2.7629 -2.7008 -2.7008 -1.7360 -1.7360 -1.6875 -1.6875 -1.5301 -1.5301 -1.3008 -1.3008 -1.2830 -1.2830 -1.1771 -1.1771 -1.0768 -1.0768 -1.0704 -1.0704 -0.4819 -0.4819 -0.4404 -0.4404 -0.3813 -0.3813 -0.3202 -0.3202 -0.2699 -0.2699 -0.1883 -0.1883 -0.1114 -0.1114 -0.0845 -0.0845 0.2394 0.2394 0.2493 0.2493 0.2783 0.2783 0.2880 0.2880 3.2197 3.2197 6.3252 6.3252 7.5351 7.5351 k = 0.5000 0.2636 0.2396 ( 9632 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0211 -20.0211 -20.0211 -20.0211 -19.9288 -19.9288 -13.9030 -13.9030 -13.3692 -13.3692 -13.1545 -13.1545 -13.1442 -13.1442 -12.8192 -12.8192 -12.8177 -12.8177 -11.6321 -11.6321 -11.6277 -11.6277 -5.9614 -5.9614 -3.3926 -3.3926 -2.7609 -2.7609 -2.6991 -2.6991 -1.7396 -1.7396 -1.6911 -1.6911 -1.5295 -1.5295 -1.2972 -1.2972 -1.2790 -1.2790 -1.1733 -1.1733 -1.0859 -1.0859 -1.0805 -1.0805 -0.4728 -0.4728 -0.4339 -0.4339 -0.3749 -0.3749 -0.3110 -0.3110 -0.2680 -0.2680 -0.1865 -0.1865 -0.1176 -0.1176 -0.0929 -0.0929 0.2441 0.2441 0.2556 0.2556 0.2776 0.2776 0.2886 0.2886 3.2139 3.2139 6.3105 6.3105 7.5359 7.5359 k = 0.5000 0.2761 0.2219 ( 9632 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0211 -20.0211 -20.0211 -20.0211 -19.9288 -19.9288 -13.9035 -13.9035 -13.3701 -13.3701 -13.1536 -13.1536 -13.1434 -13.1434 -12.8185 -12.8185 -12.8181 -12.8181 -11.6321 -11.6321 -11.6276 -11.6276 -5.9627 -5.9627 -3.3961 -3.3961 -2.7597 -2.7597 -2.6981 -2.6981 -1.7417 -1.7417 -1.6933 -1.6933 -1.5292 -1.5292 -1.2952 -1.2952 -1.2761 -1.2761 -1.1701 -1.1701 -1.0921 -1.0921 -1.0871 -1.0871 -0.4679 -0.4679 -0.4294 -0.4294 -0.3707 -0.3707 -0.3067 -0.3067 -0.2652 -0.2652 -0.1853 -0.1853 -0.1215 -0.1215 -0.0985 -0.0985 0.2470 0.2470 0.2601 0.2601 0.2765 0.2765 0.2890 0.2890 3.2103 3.2103 6.3016 6.3016 7.5364 7.5364 k = 0.5000 0.2887 0.2041 ( 9588 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0211 -20.0211 -20.0211 -20.0211 -19.9288 -19.9288 -13.9037 -13.9037 -13.3704 -13.3704 -13.1534 -13.1534 -13.1431 -13.1431 -12.8183 -12.8183 -12.8183 -12.8183 -11.6321 -11.6321 -11.6276 -11.6276 -5.9631 -5.9631 -3.3973 -3.3973 -2.7593 -2.7593 -2.6977 -2.6977 -1.7425 -1.7425 -1.6941 -1.6941 -1.5291 -1.5291 -1.2946 -1.2946 -1.2750 -1.2750 -1.1688 -1.1688 -1.0943 -1.0943 -1.0893 -1.0893 -0.4663 -0.4663 -0.4278 -0.4278 -0.3691 -0.3691 -0.3056 -0.3056 -0.2640 -0.2640 -0.1848 -0.1848 -0.1229 -0.1229 -0.1005 -0.1005 0.2480 0.2480 0.2619 0.2619 0.2759 0.2759 0.2891 0.2891 3.2091 3.2091 6.2986 6.2986 7.5366 7.5366 k = 0.5000 0.2887 0.2041 ( 9588 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0211 -20.0211 -20.0211 -20.0211 -19.9288 -19.9288 -13.9037 -13.9037 -13.3704 -13.3704 -13.1534 -13.1534 -13.1431 -13.1431 -12.8183 -12.8183 -12.8183 -12.8183 -11.6321 -11.6321 -11.6276 -11.6276 -5.9631 -5.9631 -3.3973 -3.3973 -2.7593 -2.7593 -2.6977 -2.6977 -1.7425 -1.7425 -1.6941 -1.6941 -1.5291 -1.5291 -1.2946 -1.2946 -1.2750 -1.2750 -1.1688 -1.1688 -1.0943 -1.0943 -1.0893 -1.0893 -0.4663 -0.4663 -0.4278 -0.4278 -0.3691 -0.3691 -0.3056 -0.3056 -0.2640 -0.2640 -0.1848 -0.1848 -0.1229 -0.1229 -0.1005 -0.1005 0.2480 0.2480 0.2619 0.2619 0.2759 0.2759 0.2891 0.2891 3.2091 3.2091 6.2986 6.2986 7.5366 7.5366 k = 0.4938 0.2851 0.2245 ( 9624 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0211 -20.0211 -20.0211 -20.0211 -19.9288 -19.9288 -13.9035 -13.9035 -13.3701 -13.3701 -13.1536 -13.1536 -13.1434 -13.1434 -12.8185 -12.8185 -12.8181 -12.8181 -11.6321 -11.6321 -11.6276 -11.6276 -5.9627 -5.9627 -3.3961 -3.3961 -2.7597 -2.7597 -2.6981 -2.6981 -1.7418 -1.7418 -1.6933 -1.6933 -1.5292 -1.5292 -1.2952 -1.2952 -1.2761 -1.2761 -1.1701 -1.1701 -1.0921 -1.0921 -1.0871 -1.0871 -0.4679 -0.4679 -0.4294 -0.4294 -0.3707 -0.3707 -0.3067 -0.3067 -0.2652 -0.2652 -0.1852 -0.1852 -0.1216 -0.1216 -0.0985 -0.0985 0.2470 0.2470 0.2602 0.2602 0.2765 0.2765 0.2890 0.2890 3.2103 3.2103 6.3016 6.3016 7.5364 7.5364 k = 0.4875 0.2815 0.2449 ( 9631 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0211 -20.0211 -20.0211 -20.0211 -19.9288 -19.9288 -13.9030 -13.9030 -13.3692 -13.3692 -13.1545 -13.1545 -13.1441 -13.1441 -12.8191 -12.8191 -12.8177 -12.8177 -11.6321 -11.6321 -11.6277 -11.6277 -5.9614 -5.9614 -3.3926 -3.3926 -2.7609 -2.7609 -2.6991 -2.6991 -1.7396 -1.7396 -1.6912 -1.6912 -1.5295 -1.5295 -1.2971 -1.2971 -1.2790 -1.2790 -1.1733 -1.1733 -1.0860 -1.0860 -1.0805 -1.0805 -0.4728 -0.4728 -0.4339 -0.4339 -0.3749 -0.3749 -0.3109 -0.3109 -0.2679 -0.2679 -0.1865 -0.1865 -0.1176 -0.1176 -0.0930 -0.0930 0.2441 0.2441 0.2558 0.2558 0.2775 0.2775 0.2886 0.2886 3.2138 3.2138 6.3104 6.3104 7.5359 7.5359 k = 0.4813 0.2778 0.2654 ( 9637 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0211 -20.0211 -20.0211 -20.0211 -19.9288 -19.9288 -13.9022 -13.9022 -13.3676 -13.3676 -13.1558 -13.1558 -13.1454 -13.1454 -12.8202 -12.8202 -12.8169 -12.8169 -11.6321 -11.6321 -11.6277 -11.6277 -5.9593 -5.9593 -3.3868 -3.3868 -2.7629 -2.7629 -2.7008 -2.7008 -1.7361 -1.7361 -1.6875 -1.6875 -1.5301 -1.5301 -1.3005 -1.3005 -1.2833 -1.2833 -1.1769 -1.1769 -1.0771 -1.0771 -1.0704 -1.0704 -0.4816 -0.4816 -0.4406 -0.4406 -0.3810 -0.3810 -0.3201 -0.3201 -0.2701 -0.2701 -0.1882 -0.1882 -0.1115 -0.1115 -0.0847 -0.0847 0.2391 0.2391 0.2499 0.2499 0.2777 0.2777 0.2884 0.2884 3.2197 3.2197 6.3250 6.3250 7.5351 7.5351 k = 0.4750 0.2742 0.2858 ( 9630 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0211 -20.0211 -20.0211 -20.0211 -19.9288 -19.9288 -13.9010 -13.9010 -13.3654 -13.3654 -13.1579 -13.1579 -13.1470 -13.1470 -12.8217 -12.8217 -12.8158 -12.8158 -11.6321 -11.6321 -11.6279 -11.6279 -5.9565 -5.9565 -3.3787 -3.3787 -2.7657 -2.7657 -2.7031 -2.7031 -1.7313 -1.7313 -1.6824 -1.6824 -1.5307 -1.5307 -1.3053 -1.3053 -1.2886 -1.2886 -1.1799 -1.1799 -1.0659 -1.0659 -1.0578 -1.0578 -0.4949 -0.4949 -0.4492 -0.4492 -0.3881 -0.3881 -0.3346 -0.3346 -0.2707 -0.2707 -0.1902 -0.1902 -0.1035 -0.1035 -0.0745 -0.0745 0.2317 0.2317 0.2438 0.2438 0.2759 0.2759 0.2888 0.2888 3.2277 3.2277 6.3451 6.3451 7.5339 7.5339 k = 0.4688 0.2706 0.3062 ( 9627 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0211 -20.0211 -20.0211 -20.0211 -19.9288 -19.9288 -13.8995 -13.8995 -13.3627 -13.3627 -13.1606 -13.1606 -13.1488 -13.1488 -12.8236 -12.8236 -12.8145 -12.8145 -11.6321 -11.6321 -11.6281 -11.6281 -5.9529 -5.9529 -3.3684 -3.3684 -2.7693 -2.7693 -2.7059 -2.7059 -1.7253 -1.7253 -1.6759 -1.6759 -1.5312 -1.5312 -1.3113 -1.3113 -1.2946 -1.2946 -1.1814 -1.1814 -1.0529 -1.0529 -1.0436 -1.0436 -0.5124 -0.5124 -0.4597 -0.4597 -0.3952 -0.3952 -0.3536 -0.3536 -0.2706 -0.2706 -0.1921 -0.1921 -0.0943 -0.0943 -0.0633 -0.0633 0.2219 0.2219 0.2377 0.2377 0.2719 0.2719 0.2897 0.2897 3.2377 3.2377 6.3705 6.3705 7.5324 7.5324 k = 0.4625 0.2670 0.3266 ( 9627 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0211 -20.0211 -20.0211 -20.0211 -19.9288 -19.9288 -13.8978 -13.8978 -13.3593 -13.3593 -13.1640 -13.1640 -13.1508 -13.1508 -12.8259 -12.8259 -12.8129 -12.8129 -11.6320 -11.6320 -11.6282 -11.6282 -5.9486 -5.9486 -3.3560 -3.3560 -2.7739 -2.7739 -2.7091 -2.7091 -1.7185 -1.7185 -1.6680 -1.6680 -1.5315 -1.5315 -1.3182 -1.3182 -1.3011 -1.3011 -1.1811 -1.1811 -1.0385 -1.0385 -1.0284 -1.0284 -0.5338 -0.5338 -0.4725 -0.4725 -0.4019 -0.4019 -0.3756 -0.3756 -0.2709 -0.2709 -0.1933 -0.1933 -0.0843 -0.0843 -0.0515 -0.0515 0.2103 0.2103 0.2317 0.2317 0.2661 0.2661 0.2908 0.2908 3.2495 3.2495 6.4008 6.4008 7.5305 7.5305 k = 0.4562 0.2634 0.3470 ( 9627 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0212 -20.0212 -20.0211 -20.0211 -19.9288 -19.9288 -13.8957 -13.8957 -13.3554 -13.3554 -13.1681 -13.1681 -13.1530 -13.1530 -12.8286 -12.8286 -12.8110 -12.8110 -11.6320 -11.6320 -11.6285 -11.6285 -5.9437 -5.9437 -3.3417 -3.3417 -2.7794 -2.7794 -2.7128 -2.7128 -1.7111 -1.7111 -1.6586 -1.6586 -1.5314 -1.5314 -1.3256 -1.3256 -1.3081 -1.3081 -1.1789 -1.1789 -1.0231 -1.0231 -1.0124 -1.0124 -0.5582 -0.5582 -0.4880 -0.4880 -0.4101 -0.4101 -0.3974 -0.3974 -0.2727 -0.2727 -0.1932 -0.1932 -0.0738 -0.0738 -0.0394 -0.0394 0.1973 0.1973 0.2255 0.2255 0.2586 0.2586 0.2919 0.2919 3.2629 3.2629 6.4355 6.4355 7.5283 7.5283 k = 0.4500 0.2598 0.3674 ( 9641 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0212 -20.0212 -20.0211 -20.0211 -19.9288 -19.9288 -13.8935 -13.8935 -13.3509 -13.3509 -13.1728 -13.1728 -13.1553 -13.1553 -12.8317 -12.8317 -12.8089 -12.8089 -11.6321 -11.6321 -11.6287 -11.6287 -5.9384 -5.9384 -3.3255 -3.3255 -2.7858 -2.7858 -2.7168 -2.7168 -1.7035 -1.7035 -1.6479 -1.6479 -1.5306 -1.5306 -1.3333 -1.3333 -1.3153 -1.3153 -1.1749 -1.1749 -1.0069 -1.0069 -0.9959 -0.9959 -0.5851 -0.5851 -0.5061 -0.5061 -0.4306 -0.4306 -0.4076 -0.4076 -0.2766 -0.2766 -0.1916 -0.1916 -0.0632 -0.0632 -0.0273 -0.0273 0.1833 0.1833 0.2189 0.2189 0.2500 0.2500 0.2927 0.2927 3.2775 3.2775 6.4741 6.4741 7.5257 7.5257 k = 0.4437 0.2562 0.3878 ( 9637 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0212 -20.0212 -20.0211 -20.0211 -19.9288 -19.9288 -13.8911 -13.8911 -13.3460 -13.3460 -13.1781 -13.1781 -13.1577 -13.1577 -12.8351 -12.8351 -12.8066 -12.8066 -11.6321 -11.6321 -11.6289 -11.6289 -5.9326 -5.9326 -3.3076 -3.3076 -2.7929 -2.7929 -2.7212 -2.7212 -1.6961 -1.6961 -1.6357 -1.6357 -1.5288 -1.5288 -1.3413 -1.3413 -1.3222 -1.3222 -1.1692 -1.1692 -0.9903 -0.9903 -0.9789 -0.9789 -0.6141 -0.6141 -0.5264 -0.5264 -0.4577 -0.4577 -0.4118 -0.4118 -0.2826 -0.2826 -0.1882 -0.1882 -0.0526 -0.0526 -0.0153 -0.0153 0.1688 0.1688 0.2120 0.2120 0.2404 0.2404 0.2933 0.2933 3.2932 3.2932 6.5159 6.5159 7.5230 7.5230 k = 0.4375 0.2526 0.4082 ( 9632 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0212 -20.0212 -20.0211 -20.0211 -19.9288 -19.9288 -13.8885 -13.8885 -13.3405 -13.3405 -13.1838 -13.1838 -13.1602 -13.1602 -12.8389 -12.8389 -12.8041 -12.8041 -11.6321 -11.6321 -11.6291 -11.6291 -5.9265 -5.9265 -3.2883 -3.2883 -2.8007 -2.8007 -2.7258 -2.7258 -1.6894 -1.6894 -1.6221 -1.6221 -1.5257 -1.5257 -1.3498 -1.3498 -1.3284 -1.3284 -1.1622 -1.1622 -0.9733 -0.9733 -0.9617 -0.9617 -0.6447 -0.6447 -0.5485 -0.5485 -0.4861 -0.4861 -0.4149 -0.4149 -0.2909 -0.2909 -0.1831 -0.1831 -0.0423 -0.0423 -0.0037 -0.0037 0.1541 0.1541 0.2045 0.2045 0.2303 0.2303 0.2935 0.2935 3.3096 3.3096 6.5603 6.5603 7.5202 7.5202 k = 0.4313 0.2490 0.4287 ( 9636 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0212 -20.0212 -20.0211 -20.0211 -19.9288 -19.9288 -13.8858 -13.8858 -13.3347 -13.3347 -13.1898 -13.1898 -13.1627 -13.1627 -12.8429 -12.8429 -12.8015 -12.8015 -11.6323 -11.6323 -11.6293 -11.6293 -5.9202 -5.9202 -3.2677 -3.2677 -2.8089 -2.8089 -2.7309 -2.7309 -1.6838 -1.6838 -1.6073 -1.6073 -1.5209 -1.5209 -1.3590 -1.3590 -1.3335 -1.3335 -1.1539 -1.1539 -0.9563 -0.9563 -0.9442 -0.9442 -0.6765 -0.6765 -0.5721 -0.5721 -0.5148 -0.5148 -0.4176 -0.4176 -0.3010 -0.3010 -0.1766 -0.1766 -0.0324 -0.0324 0.0073 0.0073 0.1397 0.1397 0.1960 0.1960 0.2203 0.2203 0.2934 0.2934 3.3263 3.3263 6.6064 6.6064 7.5176 7.5176 k = 0.4250 0.2454 0.4491 ( 9643 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0212 -20.0212 -20.0211 -20.0211 -19.9288 -19.9288 -13.8831 -13.8831 -13.3284 -13.3284 -13.1960 -13.1960 -13.1654 -13.1654 -12.8472 -12.8472 -12.7987 -12.7987 -11.6324 -11.6324 -11.6294 -11.6294 -5.9138 -5.9138 -3.2463 -3.2463 -2.8173 -2.8173 -2.7362 -2.7362 -1.6796 -1.6796 -1.5913 -1.5913 -1.5143 -1.5143 -1.3689 -1.3689 -1.3371 -1.3371 -1.1447 -1.1447 -0.9393 -0.9393 -0.9266 -0.9266 -0.7092 -0.7092 -0.5968 -0.5968 -0.5434 -0.5434 -0.4201 -0.4201 -0.3126 -0.3126 -0.1690 -0.1690 -0.0231 -0.0231 0.0171 0.0171 0.1262 0.1262 0.1863 0.1863 0.2112 0.2112 0.2930 0.2930 3.3430 3.3430 6.6533 6.6533 7.5153 7.5153 k = 0.4188 0.2418 0.4695 ( 9626 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0212 -20.0212 -20.0211 -20.0211 -19.9288 -19.9288 -13.8804 -13.8804 -13.3219 -13.3219 -13.2023 -13.2023 -13.1681 -13.1681 -12.8518 -12.8518 -12.7958 -12.7958 -11.6327 -11.6327 -11.6295 -11.6295 -5.9075 -5.9075 -3.2243 -3.2243 -2.8256 -2.8256 -2.7420 -2.7420 -1.6772 -1.6772 -1.5743 -1.5743 -1.5058 -1.5058 -1.3795 -1.3795 -1.3393 -1.3393 -1.1349 -1.1349 -0.9225 -0.9225 -0.9088 -0.9088 -0.7423 -0.7423 -0.6222 -0.6222 -0.5711 -0.5711 -0.4226 -0.4226 -0.3254 -0.3254 -0.1605 -0.1605 -0.0147 -0.0147 0.0252 0.0252 0.1146 0.1146 0.1753 0.1753 0.2033 0.2033 0.2923 0.2923 3.3594 3.3594 6.7000 6.7000 7.5136 7.5136 k = 0.4125 0.2382 0.4899 ( 9616 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0212 -20.0212 -20.0211 -20.0211 -19.9288 -19.9288 -13.8778 -13.8778 -13.3151 -13.3151 -13.2086 -13.2086 -13.1709 -13.1709 -12.8565 -12.8565 -12.7928 -12.7928 -11.6330 -11.6330 -11.6294 -11.6294 -5.9015 -5.9015 -3.2023 -3.2023 -2.8335 -2.8335 -2.7481 -2.7481 -1.6765 -1.6765 -1.5569 -1.5569 -1.4956 -1.4956 -1.3904 -1.3904 -1.3402 -1.3402 -1.1247 -1.1247 -0.9060 -0.9060 -0.8911 -0.8911 -0.7753 -0.7753 -0.6478 -0.6478 -0.5975 -0.5975 -0.4253 -0.4253 -0.3392 -0.3392 -0.1512 -0.1512 -0.0075 -0.0075 0.0303 0.0303 0.1063 0.1063 0.1635 0.1635 0.1966 0.1966 0.2913 0.2913 3.3751 3.3751 6.7455 6.7455 7.5128 7.5128 k = 0.4062 0.2345 0.5103 ( 9614 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0212 -20.0212 -20.0211 -20.0211 -19.9288 -19.9288 -13.8753 -13.8753 -13.3082 -13.3082 -13.2146 -13.2146 -13.1737 -13.1737 -12.8614 -12.8614 -12.7898 -12.7898 -11.6333 -11.6333 -11.6293 -11.6293 -5.8957 -5.8957 -3.1807 -3.1807 -2.8406 -2.8406 -2.7546 -2.7546 -1.6775 -1.6775 -1.5396 -1.5396 -1.4840 -1.4840 -1.4009 -1.4009 -1.3398 -1.3398 -1.1148 -1.1148 -0.8907 -0.8907 -0.8736 -0.8736 -0.8071 -0.8071 -0.6730 -0.6730 -0.6220 -0.6220 -0.4282 -0.4282 -0.3538 -0.3538 -0.1414 -0.1414 -0.0021 -0.0021 0.0314 0.0314 0.1028 0.1028 0.1519 0.1519 0.1909 0.1909 0.2899 0.2899 3.3898 3.3898 6.7886 6.7886 7.5131 7.5131 k = 0.4000 0.2309 0.5307 ( 9618 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0212 -20.0212 -20.0211 -20.0211 -19.9288 -19.9288 -13.8731 -13.8731 -13.3013 -13.3013 -13.2204 -13.2204 -13.1765 -13.1765 -12.8664 -12.8664 -12.7867 -12.7867 -11.6337 -11.6337 -11.6292 -11.6292 -5.8905 -5.8905 -3.1601 -3.1601 -2.8465 -2.8465 -2.7614 -2.7614 -1.6800 -1.6800 -1.5235 -1.5235 -1.4717 -1.4717 -1.4098 -1.4098 -1.3384 -1.3384 -1.1057 -1.1057 -0.8796 -0.8796 -0.8565 -0.8565 -0.8337 -0.8337 -0.6973 -0.6973 -0.6440 -0.6440 -0.4315 -0.4315 -0.3689 -0.3689 -0.1312 -0.1312 0.0006 0.0006 0.0285 0.0285 0.1043 0.1043 0.1413 0.1413 0.1861 0.1861 0.2883 0.2883 3.4031 3.4031 6.8282 6.8282 7.5145 7.5145 k = 0.3937 0.2273 0.5511 ( 9634 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0212 -20.0212 -20.0211 -20.0211 -19.9288 -19.9288 -13.8711 -13.8711 -13.2946 -13.2946 -13.2255 -13.2255 -13.1793 -13.1793 -12.8713 -12.8713 -12.7836 -12.7836 -11.6342 -11.6342 -11.6289 -11.6289 -5.8858 -5.8858 -3.1411 -3.1411 -2.8509 -2.8509 -2.7683 -2.7683 -1.6840 -1.6840 -1.5109 -1.5109 -1.4595 -1.4595 -1.4147 -1.4147 -1.3360 -1.3360 -1.0985 -1.0985 -0.8859 -0.8859 -0.8444 -0.8444 -0.8371 -0.8371 -0.7197 -0.7197 -0.6630 -0.6630 -0.4352 -0.4352 -0.3843 -0.3843 -0.1205 -0.1205 -0.0001 -0.0001 0.0237 0.0237 0.1094 0.1094 0.1328 0.1328 0.1821 0.1821 0.2865 0.2865 3.4147 3.4147 6.8634 6.8634 7.5169 7.5169 k = 0.3875 0.2237 0.5715 ( 9628 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0212 -20.0212 -20.0211 -20.0211 -19.9288 -19.9288 -13.8694 -13.8694 -13.2882 -13.2882 -13.2297 -13.2297 -13.1820 -13.1820 -12.8763 -12.8763 -12.7805 -12.7805 -11.6346 -11.6346 -11.6287 -11.6287 -5.8820 -5.8820 -3.1244 -3.1244 -2.8537 -2.8537 -2.7751 -2.7751 -1.6892 -1.6892 -1.5049 -1.5049 -1.4477 -1.4477 -1.4124 -1.4124 -1.3327 -1.3327 -1.0947 -1.0947 -0.9071 -0.9071 -0.8352 -0.8352 -0.8210 -0.8210 -0.7386 -0.7386 -0.6785 -0.6785 -0.4395 -0.4395 -0.3996 -0.3996 -0.1096 -0.1096 -0.0046 -0.0046 0.0182 0.0182 0.1158 0.1158 0.1277 0.1277 0.1788 0.1788 0.2845 0.2845 3.4243 3.4243 6.8935 6.8935 7.5197 7.5197 k = 0.3812 0.2201 0.5920 ( 9628 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0212 -20.0212 -20.0211 -20.0211 -19.9288 -19.9288 -13.8681 -13.8681 -13.2827 -13.2827 -13.2328 -13.2328 -13.1847 -13.1847 -12.8811 -12.8811 -12.7774 -12.7774 -11.6351 -11.6351 -11.6284 -11.6284 -5.8790 -5.8790 -3.1104 -3.1104 -2.8550 -2.8550 -2.7813 -2.7813 -1.6955 -1.6955 -1.5072 -1.5072 -1.4355 -1.4355 -1.4033 -1.4033 -1.3284 -1.3284 -1.0965 -1.0965 -0.9268 -0.9268 -0.8267 -0.8267 -0.8042 -0.8042 -0.7515 -0.7515 -0.6899 -0.6899 -0.4446 -0.4446 -0.4146 -0.4146 -0.0985 -0.0985 -0.0115 -0.0115 0.0118 0.0118 0.1197 0.1197 0.1294 0.1294 0.1762 0.1762 0.2823 0.2823 3.4316 3.4316 6.9180 6.9180 7.5221 7.5221 k = 0.3750 0.2165 0.6124 ( 9631 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0212 -20.0212 -20.0211 -20.0211 -19.9288 -19.9288 -13.8673 -13.8673 -13.2783 -13.2783 -13.2342 -13.2342 -13.1874 -13.1874 -12.8857 -12.8857 -12.7744 -12.7744 -11.6355 -11.6355 -11.6281 -11.6281 -5.8769 -5.8769 -3.0995 -3.0995 -2.8557 -2.8557 -2.7862 -2.7862 -1.7029 -1.7029 -1.5154 -1.5154 -1.4230 -1.4230 -1.3909 -1.3909 -1.3226 -1.3226 -1.1053 -1.1053 -0.9402 -0.9402 -0.8241 -0.8241 -0.7871 -0.7871 -0.7553 -0.7553 -0.6968 -0.6968 -0.4510 -0.4510 -0.4286 -0.4286 -0.0874 -0.0874 -0.0192 -0.0192 0.0040 0.0040 0.1211 0.1211 0.1369 0.1369 0.1745 0.1745 0.2799 0.2799 3.4364 3.4364 6.9369 6.9369 7.5229 7.5229 k = 0.6250-0.0722 0.4082 ( 9631 PWs) bands (ev): -21.0241 -21.0241 -21.0241 -21.0241 -20.0212 -20.0212 -20.0211 -20.0211 -19.9288 -19.9288 -13.8673 -13.8673 -13.2783 -13.2783 -13.2342 -13.2342 -13.1874 -13.1874 -12.8857 -12.8857 -12.7744 -12.7744 -11.6355 -11.6355 -11.6281 -11.6281 -5.8769 -5.8769 -3.0995 -3.0995 -2.8557 -2.8557 -2.7862 -2.7862 -1.7029 -1.7029 -1.5154 -1.5154 -1.4230 -1.4230 -1.3909 -1.3909 -1.3226 -1.3226 -1.1053 -1.1053 -0.9402 -0.9402 -0.8241 -0.8241 -0.7871 -0.7871 -0.7553 -0.7553 -0.6968 -0.6968 -0.4510 -0.4510 -0.4286 -0.4286 -0.0874 -0.0874 -0.0192 -0.0192 0.0040 0.0040 0.1211 0.1211 0.1369 0.1369 0.1745 0.1745 0.2799 0.2799 3.4364 3.4364 6.9369 6.9369 7.5229 7.5229 k = 0.6146-0.0902 0.4082 ( 9629 PWs) bands (ev): -21.0241 -21.0241 -21.0240 -21.0240 -20.0212 -20.0212 -20.0211 -20.0211 -19.9288 -19.9288 -13.8666 -13.8666 -13.2721 -13.2721 -13.2350 -13.2350 -13.1916 -13.1916 -12.8932 -12.8932 -12.7694 -12.7694 -11.6362 -11.6362 -11.6275 -11.6275 -5.8748 -5.8748 -3.0837 -3.0837 -2.8595 -2.8595 -2.7904 -2.7904 -1.7157 -1.7157 -1.5338 -1.5338 -1.4017 -1.4017 -1.3698 -1.3698 -1.3111 -1.3111 -1.1254 -1.1254 -0.9570 -0.9570 -0.8254 -0.8254 -0.7600 -0.7600 -0.7509 -0.7509 -0.7032 -0.7032 -0.4670 -0.4670 -0.4465 -0.4465 -0.0691 -0.0691 -0.0315 -0.0315 -0.0105 -0.0105 0.1240 0.1240 0.1511 0.1511 0.1725 0.1725 0.2758 0.2758 3.4412 3.4412 6.9632 6.9632 7.5203 7.5203 k = 0.6042-0.1083 0.4082 ( 9651 PWs) bands (ev): -21.0241 -21.0241 -21.0240 -21.0240 -20.0212 -20.0212 -20.0211 -20.0211 -19.9288 -19.9288 -13.8661 -13.8661 -13.2657 -13.2657 -13.2357 -13.2357 -13.1957 -13.1957 -12.9005 -12.9005 -12.7646 -12.7646 -11.6368 -11.6368 -11.6269 -11.6269 -5.8732 -5.8732 -3.0680 -3.0680 -2.8676 -2.8676 -2.7904 -2.7904 -1.7280 -1.7280 -1.5540 -1.5540 -1.3798 -1.3798 -1.3489 -1.3489 -1.3001 -1.3001 -1.1440 -1.1440 -0.9746 -0.9746 -0.8260 -0.8260 -0.7533 -0.7533 -0.7251 -0.7251 -0.7072 -0.7072 -0.4901 -0.4901 -0.4573 -0.4573 -0.0539 -0.0539 -0.0404 -0.0404 -0.0252 -0.0252 0.1268 0.1268 0.1646 0.1646 0.1709 0.1709 0.2717 0.2717 3.4446 3.4446 6.9874 6.9874 7.5145 7.5145 k = 0.5938-0.1263 0.4082 ( 9634 PWs) bands (ev): -21.0241 -21.0241 -21.0240 -21.0240 -20.0212 -20.0212 -20.0211 -20.0211 -19.9288 -19.9288 -13.8658 -13.8658 -13.2594 -13.2594 -13.2361 -13.2361 -13.1995 -13.1995 -12.9076 -12.9076 -12.7601 -12.7601 -11.6374 -11.6374 -11.6264 -11.6264 -5.8720 -5.8720 -3.0528 -3.0528 -2.8781 -2.8781 -2.7875 -2.7875 -1.7395 -1.7395 -1.5743 -1.5743 -1.3587 -1.3587 -1.3284 -1.3284 -1.2898 -1.2898 -1.1609 -1.1609 -0.9926 -0.9926 -0.8254 -0.8254 -0.7513 -0.7513 -0.7089 -0.7089 -0.6948 -0.6948 -0.5154 -0.5154 -0.4653 -0.4653 -0.0576 -0.0576 -0.0405 -0.0405 -0.0300 -0.0300 0.1295 0.1295 0.1691 0.1691 0.1780 0.1780 0.2675 0.2675 3.4469 3.4469 7.0090 7.0090 7.5072 7.5072 k = 0.5833-0.1443 0.4082 ( 9620 PWs) bands (ev): -21.0241 -21.0241 -21.0240 -21.0240 -20.0212 -20.0212 -20.0211 -20.0211 -19.9288 -19.9288 -13.8657 -13.8657 -13.2535 -13.2535 -13.2362 -13.2362 -13.2030 -13.2030 -12.9145 -12.9145 -12.7559 -12.7559 -11.6380 -11.6380 -11.6259 -11.6259 -5.8713 -5.8713 -3.0386 -3.0386 -2.8890 -2.8890 -2.7835 -2.7835 -1.7501 -1.7501 -1.5941 -1.5941 -1.3387 -1.3387 -1.3088 -1.3088 -1.2802 -1.2802 -1.1758 -1.1758 -1.0107 -1.0107 -0.8235 -0.8235 -0.7499 -0.7499 -0.7087 -0.7087 -0.6653 -0.6653 -0.5411 -0.5411 -0.4720 -0.4720 -0.0673 -0.0673 -0.0555 -0.0555 -0.0139 -0.0139 0.1320 0.1320 0.1682 0.1682 0.1901 0.1901 0.2633 0.2633 3.4481 3.4481 7.0274 7.0274 7.4998 7.4998 k = 0.5729-0.1624 0.4082 ( 9620 PWs) bands (ev): -21.0241 -21.0241 -21.0240 -21.0240 -20.0212 -20.0212 -20.0211 -20.0211 -19.9288 -19.9288 -13.8658 -13.8658 -13.2484 -13.2484 -13.2356 -13.2356 -13.2062 -13.2062 -12.9210 -12.9210 -12.7520 -12.7520 -11.6385 -11.6385 -11.6255 -11.6255 -5.8708 -5.8708 -3.0257 -3.0257 -2.8993 -2.8993 -2.7790 -2.7790 -1.7597 -1.7597 -1.6129 -1.6129 -1.3202 -1.3202 -1.2914 -1.2914 -1.2705 -1.2705 -1.1886 -1.1886 -1.0285 -1.0285 -0.8200 -0.8200 -0.7491 -0.7491 -0.7070 -0.7070 -0.6375 -0.6375 -0.5665 -0.5665 -0.4777 -0.4777 -0.0767 -0.0767 -0.0705 -0.0705 0.0018 0.0018 0.1341 0.1341 0.1675 0.1675 0.2011 0.2011 0.2592 0.2592 3.4487 3.4487 7.0423 7.0423 7.4933 7.4933 k = 0.5625-0.1804 0.4082 ( 9628 PWs) bands (ev): -21.0241 -21.0241 -21.0240 -21.0240 -20.0213 -20.0213 -20.0211 -20.0211 -19.9288 -19.9288 -13.8659 -13.8659 -13.2450 -13.2450 -13.2337 -13.2337 -13.2089 -13.2089 -12.9270 -12.9270 -12.7486 -12.7486 -11.6389 -11.6389 -11.6251 -11.6251 -5.8705 -5.8705 -3.0146 -3.0146 -2.9080 -2.9080 -2.7747 -2.7747 -1.7682 -1.7682 -1.6300 -1.6300 -1.3031 -1.3031 -1.2789 -1.2789 -1.2588 -1.2588 -1.1991 -1.1991 -1.0459 -1.0459 -0.8148 -0.8148 -0.7486 -0.7486 -0.7044 -0.7044 -0.6146 -0.6146 -0.5889 -0.5889 -0.4821 -0.4821 -0.0857 -0.0857 -0.0845 -0.0845 0.0163 0.0163 0.1359 0.1359 0.1672 0.1672 0.2108 0.2108 0.2553 0.2553 3.4486 3.4486 7.0536 7.0536 7.4886 7.4886 k = 0.5521-0.1985 0.4082 ( 9620 PWs) bands (ev): -21.0241 -21.0241 -21.0240 -21.0240 -20.0213 -20.0213 -20.0211 -20.0211 -19.9288 -19.9288 -13.8661 -13.8661 -13.2435 -13.2435 -13.2304 -13.2304 -13.2112 -13.2112 -12.9324 -12.9324 -12.7456 -12.7456 -11.6393 -11.6393 -11.6247 -11.6247 -5.8705 -5.8705 -3.0059 -3.0059 -2.9146 -2.9146 -2.7707 -2.7707 -1.7755 -1.7755 -1.6453 -1.6453 -1.2879 -1.2879 -1.2718 -1.2718 -1.2446 -1.2446 -1.2071 -1.2071 -1.0625 -1.0625 -0.8077 -0.8077 -0.7483 -0.7483 -0.7016 -0.7016 -0.6209 -0.6209 -0.5843 -0.5843 -0.4850 -0.4850 -0.0991 -0.0991 -0.0923 -0.0923 0.0293 0.0293 0.1372 0.1372 0.1673 0.1673 0.2191 0.2191 0.2518 0.2518 3.4483 3.4483 7.0617 7.0617 7.4856 7.4856 k = 0.5417-0.2165 0.4082 ( 9618 PWs) bands (ev): -21.0241 -21.0241 -21.0240 -21.0240 -20.0213 -20.0213 -20.0211 -20.0211 -19.9288 -19.9288 -13.8662 -13.8662 -13.2430 -13.2430 -13.2269 -13.2269 -13.2129 -13.2129 -12.9370 -12.9370 -12.7431 -12.7431 -11.6396 -11.6396 -11.6244 -11.6244 -5.8705 -5.8705 -2.9998 -2.9998 -2.9189 -2.9189 -2.7672 -2.7672 -1.7816 -1.7816 -1.6583 -1.6583 -1.2755 -1.2755 -1.2672 -1.2672 -1.2305 -1.2305 -1.2125 -1.2125 -1.0781 -1.0781 -0.7986 -0.7986 -0.7482 -0.7482 -0.6997 -0.6997 -0.6424 -0.6424 -0.5673 -0.5673 -0.4858 -0.4858 -0.1119 -0.1119 -0.0984 -0.0984 0.0404 0.0404 0.1382 0.1382 0.1675 0.1675 0.2258 0.2258 0.2488 0.2488 3.4477 3.4477 7.0669 7.0669 7.4843 7.4843 k = 0.5312-0.2345 0.4082 ( 9624 PWs) bands (ev): -21.0241 -21.0241 -21.0240 -21.0240 -20.0213 -20.0213 -20.0211 -20.0211 -19.9288 -19.9288 -13.8664 -13.8664 -13.2429 -13.2429 -13.2240 -13.2240 -13.2139 -13.2139 -12.9408 -12.9408 -12.7412 -12.7412 -11.6398 -11.6398 -11.6242 -11.6242 -5.8705 -5.8705 -2.9961 -2.9961 -2.9210 -2.9210 -2.7645 -2.7645 -1.7864 -1.7864 -1.6687 -1.6687 -1.2704 -1.2704 -1.2596 -1.2596 -1.2187 -1.2187 -1.2150 -1.2150 -1.0922 -1.0922 -0.7874 -0.7874 -0.7482 -0.7482 -0.7006 -0.7006 -0.6615 -0.6615 -0.5542 -0.5542 -0.4843 -0.4843 -0.1228 -0.1228 -0.1032 -0.1032 0.0495 0.0495 0.1389 0.1389 0.1678 0.1678 0.2306 0.2306 0.2466 0.2466 3.4471 3.4471 7.0700 7.0700 7.4842 7.4842 k = 0.5208-0.2526 0.4082 ( 9616 PWs) bands (ev): -21.0241 -21.0241 -21.0240 -21.0240 -20.0213 -20.0213 -20.0210 -20.0210 -19.9288 -19.9288 -13.8665 -13.8665 -13.2429 -13.2429 -13.2222 -13.2222 -13.2141 -13.2141 -12.9436 -12.9436 -12.7398 -12.7398 -11.6400 -11.6400 -11.6240 -11.6240 -5.8706 -5.8706 -2.9943 -2.9943 -2.9216 -2.9216 -2.7624 -2.7624 -1.7899 -1.7899 -1.6764 -1.6764 -1.2698 -1.2698 -1.2512 -1.2512 -1.2181 -1.2181 -1.2069 -1.2069 -1.1039 -1.1039 -0.7742 -0.7742 -0.7482 -0.7482 -0.7084 -0.7084 -0.6732 -0.6732 -0.5461 -0.5461 -0.4812 -0.4812 -0.1314 -0.1314 -0.1067 -0.1067 0.0563 0.0563 0.1393 0.1393 0.1682 0.1682 0.2333 0.2333 0.2457 0.2457 3.4466 3.4466 7.0716 7.0716 7.4846 7.4846 k = 0.5104-0.2706 0.4082 ( 9632 PWs) bands (ev): -21.0241 -21.0241 -21.0240 -21.0240 -20.0213 -20.0213 -20.0210 -20.0210 -19.9288 -19.9288 -13.8666 -13.8666 -13.2430 -13.2430 -13.2215 -13.2215 -13.2139 -13.2139 -12.9453 -12.9453 -12.7389 -12.7389 -11.6401 -11.6401 -11.6239 -11.6239 -5.8707 -5.8707 -2.9935 -2.9935 -2.9216 -2.9216 -2.7612 -2.7612 -1.7920 -1.7920 -1.6810 -1.6810 -1.2700 -1.2700 -1.2455 -1.2455 -1.2187 -1.2187 -1.1999 -1.1999 -1.1122 -1.1122 -0.7595 -0.7595 -0.7481 -0.7481 -0.7230 -0.7230 -0.6772 -0.6772 -0.5421 -0.5421 -0.4781 -0.4781 -0.1368 -0.1368 -0.1088 -0.1088 0.0604 0.0604 0.1396 0.1396 0.1684 0.1684 0.2343 0.2343 0.2458 0.2458 3.4463 3.4463 7.0723 7.0723 7.4850 7.4850 k = 0.5000-0.2887 0.4082 ( 9640 PWs) bands (ev): -21.0241 -21.0241 -21.0240 -21.0240 -20.0213 -20.0213 -20.0210 -20.0210 -19.9288 -19.9288 -13.8667 -13.8667 -13.2430 -13.2430 -13.2213 -13.2213 -13.2137 -13.2137 -12.9459 -12.9459 -12.7387 -12.7387 -11.6402 -11.6402 -11.6239 -11.6239 -5.8707 -5.8707 -2.9934 -2.9934 -2.9215 -2.9215 -2.7607 -2.7607 -1.7927 -1.7927 -1.6826 -1.6826 -1.2702 -1.2702 -1.2436 -1.2436 -1.2189 -1.2189 -1.1973 -1.1973 -1.1152 -1.1152 -0.7485 -0.7485 -0.7477 -0.7477 -0.7350 -0.7350 -0.6779 -0.6779 -0.5409 -0.5409 -0.4769 -0.4769 -0.1387 -0.1387 -0.1095 -0.1095 0.0618 0.0618 0.1396 0.1396 0.1685 0.1685 0.2345 0.2345 0.2459 0.2459 3.4462 3.4462 7.0725 7.0725 7.4852 7.4852 Writing output data file SnxNCl3x2.save init_run : 0.41s CPU 0.55s WALL ( 1 calls) electrons : 267.34s CPU 270.26s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.05s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 267.34s CPU 270.25s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.12s CPU 0.14s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.07s CPU 0.09s WALL ( 219 calls) cegterg : 243.28s CPU 245.47s WALL ( 278 calls) Called by sum_band: Called by *egterg: h_psi : 146.99s CPU 149.30s WALL ( 5015 calls) s_psi : 9.61s CPU 9.61s WALL ( 5015 calls) g_psi : 0.24s CPU 0.24s WALL ( 4518 calls) cdiaghg : 77.63s CPU 77.72s WALL ( 4737 calls) cegterg:over : 11.43s CPU 11.33s WALL ( 4518 calls) cegterg:upda : 7.10s CPU 7.34s WALL ( 4518 calls) cegterg:last : 4.66s CPU 4.64s WALL ( 716 calls) cdiaghg:chol : 3.31s CPU 3.37s WALL ( 4737 calls) cdiaghg:inve : 2.32s CPU 2.43s WALL ( 4737 calls) cdiaghg:para : 4.41s CPU 4.44s WALL ( 9474 calls) Called by h_psi: h_psi:vloc : 125.62s CPU 127.70s WALL ( 5015 calls) h_psi:vnl : 21.16s CPU 21.35s WALL ( 5015 calls) add_vuspsi : 11.06s CPU 11.20s WALL ( 5015 calls) General routines calbec : 10.08s CPU 10.13s WALL ( 5015 calls) fft : 0.01s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 118.92s CPU 120.74s WALL ( 704232 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.16s CPU 0.30s WALL ( 438 calls) Parallel routines fft_scatter : 76.78s CPU 77.32s WALL ( 704255 calls) PWSCF : 5m 6.03s CPU 5m20.17s WALL This run was terminated on: 8:26: 5 31Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=