Program PWSCF v.5.3.0 (svn rev. 11974) starts on 31Jan2017 at 9:30:52 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: ./K2MoCl6.save/ file Mo.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S renormalized file K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S 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 50 33 9 2029 1064 154 Max 51 34 10 2036 1081 159 Sum 3667 2395 661 146399 77233 11191 bravais-lattice index = 14 lattice parameter (alat) = 13.1619 a.u. unit-cell volume = 1612.2976 (a.u.)^3 number of atoms/cell = 9 number of atomic types = 3 number of electrons = 74.00 number of Kohn-Sham states= 88 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 307.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 13.161945 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 Mo read from file: /users/gautes/Pseudo/Mo.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 20113fa3d0a6ce27e798500ceb8a7ae4 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 1229 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 K read from file: /users/gautes/Pseudo/K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3dd1b7807415f540a701f2a402ca1bb0 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1165 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Cl 7.00 35.45300 Cl( 1.00) Mo 14.00 95.94000 Mo( 1.00) K 9.00 39.09830 K( 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 0.0441177 0.0882353), wk = 0.0045662 k( 95) = ( 0.0330882 0.0330882 0.0661765), wk = 0.0045662 k( 96) = ( 0.0220588 0.0220588 0.0441177), wk = 0.0045662 k( 97) = ( 0.0110294 0.0110294 0.0220588), wk = 0.0045662 k( 98) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045662 k( 99) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045662 k( 100) = ( 0.0178571 0.0178571 0.0178571), wk = 0.0045662 k( 101) = ( 0.0357143 0.0357143 0.0357143), wk = 0.0045662 k( 102) = ( 0.0535714 0.0535714 0.0535714), wk = 0.0045662 k( 103) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0045662 k( 104) = ( 0.0892857 0.0892857 0.0892857), wk = 0.0045662 k( 105) = ( 0.1071429 0.1071429 0.1071429), wk = 0.0045662 k( 106) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0045662 k( 107) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0045662 k( 108) = ( 0.1607143 0.1607143 0.1607143), wk = 0.0045662 k( 109) = ( 0.1785714 0.1785714 0.1785714), wk = 0.0045662 k( 110) = ( 0.1964286 0.1964286 0.1964286), wk = 0.0045662 k( 111) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0045662 k( 112) = ( 0.2321429 0.2321429 0.2321429), wk = 0.0045662 k( 113) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0045662 k( 114) = ( 0.2678571 0.2678571 0.2678571), wk = 0.0045662 k( 115) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0045662 k( 116) = ( 0.3035714 0.3035714 0.3035714), wk = 0.0045662 k( 117) = ( 0.3214286 0.3214286 0.3214286), wk = 0.0045662 k( 118) = ( 0.3392857 0.3392857 0.3392857), wk = 0.0045662 k( 119) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0045662 k( 120) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0045662 k( 121) = ( 0.3928571 0.3928571 0.3928571), wk = 0.0045662 k( 122) = ( 0.4107143 0.4107143 0.4107143), wk = 0.0045662 k( 123) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0045662 k( 124) = ( 0.4464286 0.4464286 0.4464286), wk = 0.0045662 k( 125) = ( 0.4642857 0.4642857 0.4642857), wk = 0.0045662 k( 126) = ( 0.4821429 0.4821429 0.4821429), wk = 0.0045662 k( 127) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0045662 k( 128) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0045662 k( 129) = ( 0.5062500 0.4875000 0.5062500), wk = 0.0045662 k( 130) = ( 0.5125000 0.4750000 0.5125000), wk = 0.0045662 k( 131) = ( 0.5187500 0.4625000 0.5187500), wk = 0.0045662 k( 132) = ( 0.5250000 0.4500000 0.5250000), wk = 0.0045662 k( 133) = ( 0.5312500 0.4375000 0.5312500), wk = 0.0045662 k( 134) = ( 0.5375000 0.4250000 0.5375000), wk = 0.0045662 k( 135) = ( 0.5437500 0.4125000 0.5437500), wk = 0.0045662 k( 136) = ( 0.5500000 0.4000000 0.5500000), wk = 0.0045662 k( 137) = ( 0.5562500 0.3875000 0.5562500), wk = 0.0045662 k( 138) = ( 0.5625000 0.3750000 0.5625000), wk = 0.0045662 k( 139) = ( 0.5687500 0.3625000 0.5687500), wk = 0.0045662 k( 140) = ( 0.5750000 0.3500000 0.5750000), wk = 0.0045662 k( 141) = ( 0.5812500 0.3375000 0.5812500), wk = 0.0045662 k( 142) = ( 0.5875000 0.3250000 0.5875000), wk = 0.0045662 k( 143) = ( 0.5937500 0.3125000 0.5937500), wk = 0.0045662 k( 144) = ( 0.6000000 0.3000000 0.6000000), wk = 0.0045662 k( 145) = ( 0.6062500 0.2875000 0.6062500), wk = 0.0045662 k( 146) = ( 0.6125000 0.2750000 0.6125000), wk = 0.0045662 k( 147) = ( 0.6187500 0.2625000 0.6187500), wk = 0.0045662 k( 148) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0045662 k( 149) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0045662 k( 150) = ( 0.6145833 0.2500000 0.6354167), wk = 0.0045662 k( 151) = ( 0.6041667 0.2500000 0.6458333), wk = 0.0045662 k( 152) = ( 0.5937500 0.2500000 0.6562500), wk = 0.0045662 k( 153) = ( 0.5833333 0.2500000 0.6666667), wk = 0.0045662 k( 154) = ( 0.5729167 0.2500000 0.6770833), wk = 0.0045662 k( 155) = ( 0.5625000 0.2500000 0.6875000), wk = 0.0045662 k( 156) = ( 0.5520833 0.2500000 0.6979167), wk = 0.0045662 k( 157) = ( 0.5416667 0.2500000 0.7083333), wk = 0.0045662 k( 158) = ( 0.5312500 0.2500000 0.7187500), wk = 0.0045662 k( 159) = ( 0.5208333 0.2500000 0.7291667), wk = 0.0045662 k( 160) = ( 0.5104167 0.2500000 0.7395833), wk = 0.0045662 k( 161) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0045662 k( 162) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0045662 k( 163) = ( 0.5000000 0.2608696 0.7391304), wk = 0.0045662 k( 164) = ( 0.5000000 0.2717391 0.7282609), wk = 0.0045662 k( 165) = ( 0.5000000 0.2826087 0.7173913), wk = 0.0045662 k( 166) = ( 0.5000000 0.2934783 0.7065217), wk = 0.0045662 k( 167) = ( 0.5000000 0.3043478 0.6956522), wk = 0.0045662 k( 168) = ( 0.5000000 0.3152174 0.6847826), wk = 0.0045662 k( 169) = ( 0.5000000 0.3260870 0.6739130), wk = 0.0045662 k( 170) = ( 0.5000000 0.3369565 0.6630435), wk = 0.0045662 k( 171) = ( 0.5000000 0.3478261 0.6521739), wk = 0.0045662 k( 172) = ( 0.5000000 0.3586956 0.6413043), wk = 0.0045662 k( 173) = ( 0.5000000 0.3695652 0.6304348), wk = 0.0045662 k( 174) = ( 0.5000000 0.3804348 0.6195652), wk = 0.0045662 k( 175) = ( 0.5000000 0.3913044 0.6086957), wk = 0.0045662 k( 176) = ( 0.5000000 0.4021739 0.5978261), wk = 0.0045662 k( 177) = ( 0.5000000 0.4130435 0.5869565), wk = 0.0045662 k( 178) = ( 0.5000000 0.4239130 0.5760870), wk = 0.0045662 k( 179) = ( 0.5000000 0.4347826 0.5652174), wk = 0.0045662 k( 180) = ( 0.5000000 0.4456522 0.5543478), wk = 0.0045662 k( 181) = ( 0.5000000 0.4565217 0.5434783), wk = 0.0045662 k( 182) = ( 0.5000000 0.4673913 0.5326087), wk = 0.0045662 k( 183) = ( 0.5000000 0.4782609 0.5217391), wk = 0.0045662 k( 184) = ( 0.5000000 0.4891304 0.5108696), wk = 0.0045662 k( 185) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0045662 k( 186) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0045662 k( 187) = ( 0.4937500 0.4937500 0.5125000), wk = 0.0045662 k( 188) = ( 0.4875000 0.4875000 0.5250000), wk = 0.0045662 k( 189) = ( 0.4812500 0.4812500 0.5375000), wk = 0.0045662 k( 190) = ( 0.4750000 0.4750000 0.5500000), wk = 0.0045662 k( 191) = ( 0.4687500 0.4687500 0.5625000), wk = 0.0045662 k( 192) = ( 0.4625000 0.4625000 0.5750000), wk = 0.0045662 k( 193) = ( 0.4562500 0.4562500 0.5875000), wk = 0.0045662 k( 194) = ( 0.4500000 0.4500000 0.6000000), wk = 0.0045662 k( 195) = ( 0.4437500 0.4437500 0.6125000), wk = 0.0045662 k( 196) = ( 0.4375000 0.4375000 0.6250000), wk = 0.0045662 k( 197) = ( 0.4312500 0.4312500 0.6375000), wk = 0.0045662 k( 198) = ( 0.4250000 0.4250000 0.6500000), wk = 0.0045662 k( 199) = ( 0.4187500 0.4187500 0.6625000), wk = 0.0045662 k( 200) = ( 0.4125000 0.4125000 0.6750000), wk = 0.0045662 k( 201) = ( 0.4062500 0.4062500 0.6875000), wk = 0.0045662 k( 202) = ( 0.4000000 0.4000000 0.7000000), wk = 0.0045662 k( 203) = ( 0.3937500 0.3937500 0.7125000), wk = 0.0045662 k( 204) = ( 0.3875000 0.3875000 0.7250000), wk = 0.0045662 k( 205) = ( 0.3812500 0.3812500 0.7375000), wk = 0.0045662 k( 206) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0045662 k( 207) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0045662 k( 208) = ( 0.6145833 0.2291667 0.6145833), wk = 0.0045662 k( 209) = ( 0.6041667 0.2083333 0.6041667), wk = 0.0045662 k( 210) = ( 0.5937500 0.1875000 0.5937500), wk = 0.0045662 k( 211) = ( 0.5833333 0.1666667 0.5833333), wk = 0.0045662 k( 212) = ( 0.5729167 0.1458333 0.5729167), wk = 0.0045662 k( 213) = ( 0.5625000 0.1250000 0.5625000), wk = 0.0045662 k( 214) = ( 0.5520833 0.1041667 0.5520833), wk = 0.0045662 k( 215) = ( 0.5416667 0.0833333 0.5416667), wk = 0.0045662 k( 216) = ( 0.5312500 0.0625000 0.5312500), wk = 0.0045662 k( 217) = ( 0.5208333 0.0416667 0.5208333), wk = 0.0045662 k( 218) = ( 0.5104167 0.0208333 0.5104167), wk = 0.0045662 k( 219) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0045662 Dense grid: 146399 G-vectors FFT dimensions: ( 75, 75, 75) Smooth grid: 77233 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.37 Mb ( 272, 88) NL pseudopotentials 0.64 Mb ( 136, 306) Each V/rho on FFT grid 0.17 Mb ( 11250) Each G-vector array 0.02 Mb ( 2036) G-vector shells 0.01 Mb ( 721) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.46 Mb ( 272, 352) Each subspace H/S matrix 0.05 Mb ( 58, 58) Each matrix 0.82 Mb ( 306, 2, 88) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./K2MoCl6.save/charge-density.dat Starting wfc are 100 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.7 secs Computing kpt #: 2 total cpu time spent up to now is 7.1 secs Computing kpt #: 3 total cpu time spent up to now is 10.5 secs Computing kpt #: 4 total cpu time spent up to now is 12.3 secs Computing kpt #: 5 total cpu time spent up to now is 14.1 secs Computing kpt #: 6 total cpu time spent up to now is 15.8 secs Computing kpt #: 7 total cpu time spent up to now is 17.6 secs Computing kpt #: 8 total cpu time spent up to now is 19.4 secs Computing kpt #: 9 total cpu time spent up to now is 21.2 secs Computing kpt #: 10 total cpu time spent up to now is 22.9 secs Computing kpt #: 11 total cpu time spent up to now is 24.7 secs Computing kpt #: 12 total cpu time spent up to now is 26.4 secs Computing kpt #: 13 total cpu time spent up to now is 28.1 secs Computing kpt #: 14 total cpu time spent up to now is 29.9 secs Computing kpt #: 15 total cpu time spent up to now is 31.5 secs Computing kpt #: 16 total cpu time spent up to now is 33.1 secs Computing kpt #: 17 total cpu time spent up to now is 34.7 secs Computing kpt #: 18 total cpu time spent up to now is 36.3 secs Computing kpt #: 19 total cpu time spent up to now is 37.8 secs Computing kpt #: 20 total cpu time spent up to now is 39.3 secs Computing kpt #: 21 total cpu time spent up to now is 40.7 secs Computing kpt #: 22 total cpu time spent up to now is 42.3 secs Computing kpt #: 23 total cpu time spent up to now is 43.7 secs Computing kpt #: 24 total cpu time spent up to now is 45.3 secs Computing kpt #: 25 total cpu time spent up to now is 46.8 secs Computing kpt #: 26 total cpu time spent up to now is 48.5 secs Computing kpt #: 27 total cpu time spent up to now is 50.2 secs Computing kpt #: 28 total cpu time spent up to now is 52.0 secs Computing kpt #: 29 total cpu time spent up to now is 53.8 secs Computing kpt #: 30 total cpu time spent up to now is 55.7 secs Computing kpt #: 31 total cpu time spent up to now is 58.0 secs Computing kpt #: 32 total cpu time spent up to now is 60.6 secs Computing kpt #: 33 total cpu time spent up to now is 62.3 secs Computing kpt #: 34 total cpu time spent up to now is 64.1 secs Computing kpt #: 35 total cpu time spent up to now is 66.0 secs Computing kpt #: 36 total cpu time spent up to now is 68.0 secs Computing kpt #: 37 total cpu time spent up to now is 69.8 secs Computing kpt #: 38 total cpu time spent up to now is 71.6 secs Computing kpt #: 39 total cpu time spent up to now is 73.4 secs Computing kpt #: 40 total cpu time spent up to now is 75.2 secs Computing kpt #: 41 total cpu time spent up to now is 76.9 secs Computing kpt #: 42 total cpu time spent up to now is 78.7 secs Computing kpt #: 43 total cpu time spent up to now is 80.4 secs Computing kpt #: 44 total cpu time spent up to now is 82.0 secs Computing kpt #: 45 total cpu time spent up to now is 83.6 secs Computing kpt #: 46 total cpu time spent up to now is 85.4 secs Computing kpt #: 47 total cpu time spent up to now is 87.2 secs Computing kpt #: 48 total cpu time spent up to now is 89.0 secs Computing kpt #: 49 total cpu time spent up to now is 91.2 secs Computing kpt #: 50 total cpu time spent up to now is 93.3 secs Computing kpt #: 51 total cpu time spent up to now is 95.2 secs Computing kpt #: 52 total cpu time spent up to now is 97.2 secs Computing kpt #: 53 total cpu time spent up to now is 99.1 secs Computing kpt #: 54 total cpu time spent up to now is 100.8 secs Computing kpt #: 55 total cpu time spent up to now is 103.3 secs Computing kpt #: 56 total cpu time spent up to now is 104.8 secs Computing kpt #: 57 total cpu time spent up to now is 106.3 secs Computing kpt #: 58 total cpu time spent up to now is 107.9 secs Computing kpt #: 59 total cpu time spent up to now is 109.4 secs Computing kpt #: 60 total cpu time spent up to now is 110.9 secs Computing kpt #: 61 total cpu time spent up to now is 112.5 secs Computing kpt #: 62 total cpu time spent up to now is 114.1 secs Computing kpt #: 63 total cpu time spent up to now is 115.6 secs Computing kpt #: 64 total cpu time spent up to now is 117.2 secs Computing kpt #: 65 total cpu time spent up to now is 118.8 secs Computing kpt #: 66 total cpu time spent up to now is 120.7 secs Computing kpt #: 67 total cpu time spent up to now is 122.7 secs Computing kpt #: 68 total cpu time spent up to now is 124.3 secs Computing kpt #: 69 total cpu time spent up to now is 125.8 secs Computing kpt #: 70 total cpu time spent up to now is 127.6 secs Computing kpt #: 71 total cpu time spent up to now is 129.4 secs Computing kpt #: 72 total cpu time spent up to now is 133.1 secs Computing kpt #: 73 total cpu time spent up to now is 136.3 secs Computing kpt #: 74 total cpu time spent up to now is 138.2 secs Computing kpt #: 75 total cpu time spent up to now is 140.2 secs Computing kpt #: 76 total cpu time spent up to now is 142.2 secs Computing kpt #: 77 total cpu time spent up to now is 144.7 secs Computing kpt #: 78 total cpu time spent up to now is 146.7 secs Computing kpt #: 79 total cpu time spent up to now is 148.6 secs Computing kpt #: 80 total cpu time spent up to now is 150.6 secs Computing kpt #: 81 total cpu time spent up to now is 152.6 secs Computing kpt #: 82 total cpu time spent up to now is 154.4 secs Computing kpt #: 83 total cpu time spent up to now is 156.3 secs Computing kpt #: 84 total cpu time spent up to now is 158.2 secs Computing kpt #: 85 total cpu time spent up to now is 160.0 secs Computing kpt #: 86 total cpu time spent up to now is 161.9 secs Computing kpt #: 87 total cpu time spent up to now is 163.7 secs Computing kpt #: 88 total cpu time spent up to now is 165.5 secs Computing kpt #: 89 total cpu time spent up to now is 167.3 secs Computing kpt #: 90 total cpu time spent up to now is 169.2 secs Computing kpt #: 91 total cpu time spent up to now is 171.0 secs Computing kpt #: 92 total cpu time spent up to now is 172.9 secs Computing kpt #: 93 total cpu time spent up to now is 174.8 secs Computing kpt #: 94 total cpu time spent up to now is 176.7 secs Computing kpt #: 95 total cpu time spent up to now is 179.8 secs Computing kpt #: 96 total cpu time spent up to now is 182.9 secs Computing kpt #: 97 total cpu time spent up to now is 184.6 secs Computing kpt #: 98 total cpu time spent up to now is 186.3 secs Computing kpt #: 99 total cpu time spent up to now is 187.9 secs Computing kpt #: 100 total cpu time spent up to now is 189.7 secs Computing kpt #: 101 total cpu time spent up to now is 191.5 secs Computing kpt #: 102 total cpu time spent up to now is 193.2 secs Computing kpt #: 103 total cpu time spent up to now is 195.2 secs Computing kpt #: 104 total cpu time spent up to now is 197.0 secs Computing kpt #: 105 total cpu time spent up to now is 198.8 secs Computing kpt #: 106 total cpu time spent up to now is 200.6 secs Computing kpt #: 107 total cpu time spent up to now is 202.4 secs Computing kpt #: 108 total cpu time spent up to now is 204.2 secs Computing kpt #: 109 total cpu time spent up to now is 206.0 secs Computing kpt #: 110 total cpu time spent up to now is 207.9 secs Computing kpt #: 111 total cpu time spent up to now is 209.7 secs Computing kpt #: 112 total cpu time spent up to now is 214.1 secs Computing kpt #: 113 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 218.6 secs Computing kpt #: 114 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 223.5 secs Computing kpt #: 115 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 228.3 secs Computing kpt #: 116 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 233.8 secs Computing kpt #: 117 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 238.6 secs Computing kpt #: 118 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 243.2 secs Computing kpt #: 119 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 247.8 secs Computing kpt #: 120 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 252.5 secs Computing kpt #: 121 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 257.3 secs Computing kpt #: 122 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 261.9 secs Computing kpt #: 123 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 266.5 secs Computing kpt #: 124 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 271.2 secs Computing kpt #: 125 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 275.9 secs Computing kpt #: 126 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 280.5 secs Computing kpt #: 127 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 285.0 secs Computing kpt #: 128 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 289.6 secs Computing kpt #: 129 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 294.4 secs Computing kpt #: 130 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 299.3 secs Computing kpt #: 131 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 304.1 secs Computing kpt #: 132 total cpu time spent up to now is 308.0 secs Computing kpt #: 133 total cpu time spent up to now is 311.3 secs Computing kpt #: 134 total cpu time spent up to now is 314.0 secs Computing kpt #: 135 total cpu time spent up to now is 316.1 secs Computing kpt #: 136 total cpu time spent up to now is 318.3 secs Computing kpt #: 137 total cpu time spent up to now is 320.1 secs Computing kpt #: 138 total cpu time spent up to now is 322.0 secs Computing kpt #: 139 total cpu time spent up to now is 323.7 secs Computing kpt #: 140 total cpu time spent up to now is 325.4 secs Computing kpt #: 141 total cpu time spent up to now is 327.2 secs Computing kpt #: 142 total cpu time spent up to now is 329.0 secs Computing kpt #: 143 total cpu time spent up to now is 330.7 secs Computing kpt #: 144 total cpu time spent up to now is 332.2 secs Computing kpt #: 145 total cpu time spent up to now is 333.8 secs Computing kpt #: 146 total cpu time spent up to now is 335.4 secs Computing kpt #: 147 total cpu time spent up to now is 336.9 secs Computing kpt #: 148 total cpu time spent up to now is 338.5 secs Computing kpt #: 149 total cpu time spent up to now is 340.0 secs Computing kpt #: 150 total cpu time spent up to now is 341.6 secs Computing kpt #: 151 total cpu time spent up to now is 343.2 secs Computing kpt #: 152 total cpu time spent up to now is 344.8 secs Computing kpt #: 153 total cpu time spent up to now is 346.3 secs Computing kpt #: 154 total cpu time spent up to now is 348.2 secs Computing kpt #: 155 total cpu time spent up to now is 350.1 secs Computing kpt #: 156 total cpu time spent up to now is 351.7 secs Computing kpt #: 157 total cpu time spent up to now is 353.5 secs Computing kpt #: 158 total cpu time spent up to now is 355.2 secs Computing kpt #: 159 total cpu time spent up to now is 357.0 secs Computing kpt #: 160 total cpu time spent up to now is 359.0 secs Computing kpt #: 161 total cpu time spent up to now is 360.9 secs Computing kpt #: 162 total cpu time spent up to now is 362.7 secs Computing kpt #: 163 total cpu time spent up to now is 364.7 secs Computing kpt #: 164 total cpu time spent up to now is 366.8 secs Computing kpt #: 165 total cpu time spent up to now is 368.9 secs Computing kpt #: 166 total cpu time spent up to now is 370.9 secs Computing kpt #: 167 total cpu time spent up to now is 372.9 secs Computing kpt #: 168 total cpu time spent up to now is 378.7 secs Computing kpt #: 169 total cpu time spent up to now is 381.8 secs Computing kpt #: 170 total cpu time spent up to now is 384.9 secs Computing kpt #: 171 total cpu time spent up to now is 387.3 secs Computing kpt #: 172 total cpu time spent up to now is 389.6 secs Computing kpt #: 173 total cpu time spent up to now is 392.0 secs Computing kpt #: 174 total cpu time spent up to now is 394.3 secs Computing kpt #: 175 total cpu time spent up to now is 396.7 secs Computing kpt #: 176 total cpu time spent up to now is 399.6 secs Computing kpt #: 177 total cpu time spent up to now is 402.7 secs Computing kpt #: 178 total cpu time spent up to now is 406.0 secs Computing kpt #: 179 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 410.6 secs Computing kpt #: 180 total cpu time spent up to now is 415.1 secs Computing kpt #: 181 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 419.9 secs Computing kpt #: 182 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 424.7 secs Computing kpt #: 183 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 429.4 secs Computing kpt #: 184 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 434.0 secs Computing kpt #: 185 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 438.8 secs Computing kpt #: 186 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 443.6 secs Computing kpt #: 187 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 448.2 secs Computing kpt #: 188 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 452.9 secs Computing kpt #: 189 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 457.6 secs Computing kpt #: 190 total cpu time spent up to now is 462.0 secs Computing kpt #: 191 total cpu time spent up to now is 464.7 secs Computing kpt #: 192 total cpu time spent up to now is 467.3 secs Computing kpt #: 193 total cpu time spent up to now is 469.4 secs Computing kpt #: 194 total cpu time spent up to now is 471.5 secs Computing kpt #: 195 total cpu time spent up to now is 473.5 secs Computing kpt #: 196 total cpu time spent up to now is 475.2 secs Computing kpt #: 197 total cpu time spent up to now is 477.0 secs Computing kpt #: 198 total cpu time spent up to now is 478.8 secs Computing kpt #: 199 total cpu time spent up to now is 480.7 secs Computing kpt #: 200 total cpu time spent up to now is 482.4 secs Computing kpt #: 201 total cpu time spent up to now is 483.9 secs Computing kpt #: 202 total cpu time spent up to now is 485.5 secs Computing kpt #: 203 total cpu time spent up to now is 487.1 secs Computing kpt #: 204 total cpu time spent up to now is 488.6 secs Computing kpt #: 205 total cpu time spent up to now is 490.1 secs Computing kpt #: 206 total cpu time spent up to now is 491.7 secs Computing kpt #: 207 total cpu time spent up to now is 493.3 secs Computing kpt #: 208 total cpu time spent up to now is 495.2 secs Computing kpt #: 209 total cpu time spent up to now is 496.8 secs Computing kpt #: 210 total cpu time spent up to now is 498.7 secs Computing kpt #: 211 total cpu time spent up to now is 500.8 secs Computing kpt #: 212 total cpu time spent up to now is 502.5 secs Computing kpt #: 213 total cpu time spent up to now is 504.3 secs Computing kpt #: 214 total cpu time spent up to now is 506.2 secs Computing kpt #: 215 total cpu time spent up to now is 508.0 secs Computing kpt #: 216 total cpu time spent up to now is 510.4 secs Computing kpt #: 217 total cpu time spent up to now is 512.2 secs Computing kpt #: 218 total cpu time spent up to now is 514.1 secs Computing kpt #: 219 total cpu time spent up to now is 516.0 secs ethr = 1.35E-08, avg # of iterations = 41.6 total cpu time spent up to now is 516.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 9577 PWs) bands (ev): -57.2344 -57.2344 -33.0770 -33.0770 -30.5969 -30.5969 -30.5969 -30.5969 -25.3095 -25.3095 -25.3071 -25.3071 -11.3210 -11.3210 -10.5602 -10.5602 -10.5602 -10.5602 -10.5217 -10.5217 -10.4844 -10.4844 -10.4844 -10.4844 -8.9898 -8.9898 -8.9667 -8.9667 -8.7260 -8.7260 -8.7260 -8.7260 -8.7010 -8.7010 -8.7010 -8.7010 -1.1420 -1.1420 -0.4506 -0.4506 -0.4506 -0.4506 -0.3993 -0.3993 -0.2994 -0.2994 -0.2994 -0.2994 0.1590 0.1590 0.1899 0.1899 0.1899 0.1899 1.7002 1.7002 1.7002 1.7002 1.7599 1.7599 2.1431 2.1431 2.2965 2.2965 2.2965 2.2965 2.5413 2.5413 2.6103 2.6103 2.6103 2.6103 4.6871 4.6871 4.6871 4.6871 4.8088 4.8088 8.1623 8.1623 8.3284 8.3284 8.3284 8.3284 9.3219 9.3219 9.6989 9.6989 k = 0.0156-0.0090 0.0128 ( 9585 PWs) bands (ev): -57.2344 -57.2344 -33.0770 -33.0770 -30.5969 -30.5969 -30.5969 -30.5969 -25.3095 -25.3095 -25.3071 -25.3071 -11.3207 -11.3207 -10.5610 -10.5610 -10.5602 -10.5602 -10.5216 -10.5216 -10.4845 -10.4845 -10.4843 -10.4843 -8.9897 -8.9897 -8.9667 -8.9667 -8.7259 -8.7259 -8.7259 -8.7259 -8.7010 -8.7010 -8.7010 -8.7010 -1.1408 -1.1408 -0.4506 -0.4506 -0.4499 -0.4499 -0.3989 -0.3989 -0.3024 -0.3024 -0.2994 -0.2994 0.1603 0.1603 0.1904 0.1904 0.1920 0.1920 1.6994 1.6994 1.6995 1.6995 1.7592 1.7592 2.1418 2.1418 2.2947 2.2947 2.2957 2.2957 2.5403 2.5403 2.6089 2.6089 2.6098 2.6098 4.6875 4.6875 4.6885 4.6885 4.8097 4.8097 8.1656 8.1656 8.3257 8.3257 8.3284 8.3284 9.3243 9.3243 9.7008 9.7015 k = 0.0312-0.0180 0.0255 ( 9625 PWs) bands (ev): -57.2346 -57.2346 -33.0770 -33.0770 -30.5970 -30.5970 -30.5969 -30.5969 -25.3095 -25.3095 -25.3071 -25.3071 -11.3200 -11.3200 -10.5633 -10.5633 -10.5602 -10.5602 -10.5213 -10.5213 -10.4849 -10.4849 -10.4838 -10.4838 -8.9894 -8.9894 -8.9665 -8.9665 -8.7256 -8.7256 -8.7255 -8.7255 -8.7010 -8.7010 -8.7008 -8.7008 -1.1372 -1.1372 -0.4506 -0.4506 -0.4478 -0.4478 -0.3977 -0.3977 -0.3112 -0.3112 -0.2994 -0.2994 0.1636 0.1636 0.1918 0.1918 0.1985 0.1985 1.6973 1.6973 1.6976 1.6976 1.7571 1.7571 2.1380 2.1380 2.2894 2.2894 2.2931 2.2931 2.5374 2.5374 2.6047 2.6047 2.6083 2.6083 4.6885 4.6885 4.6925 4.6925 4.8124 4.8124 8.1754 8.1754 8.3179 8.3179 8.3284 8.3284 9.3317 9.3317 9.7058 9.7058 k = 0.0469-0.0271 0.0383 ( 9613 PWs) bands (ev): -57.2345 -57.2345 -33.0770 -33.0770 -30.5969 -30.5969 -30.5969 -30.5969 -25.3095 -25.3095 -25.3071 -25.3071 -11.3187 -11.3187 -10.5669 -10.5669 -10.5601 -10.5601 -10.5211 -10.5211 -10.4854 -10.4854 -10.4832 -10.4832 -8.9888 -8.9888 -8.9663 -8.9663 -8.7251 -8.7251 -8.7249 -8.7249 -8.7010 -8.7010 -8.7003 -8.7003 -1.1311 -1.1311 -0.4509 -0.4509 -0.4443 -0.4443 -0.3955 -0.3955 -0.3251 -0.3251 -0.2995 -0.2995 0.1681 0.1681 0.1942 0.1942 0.2097 0.2097 1.6936 1.6936 1.6944 1.6944 1.7536 1.7536 2.1316 2.1316 2.2806 2.2806 2.2889 2.2889 2.5324 2.5324 2.5977 2.5977 2.6061 2.6061 4.6901 4.6901 4.6993 4.6993 4.8170 4.8170 8.1916 8.1916 8.3050 8.3050 8.3284 8.3284 9.3440 9.3440 9.7145 9.7145 k = 0.0625-0.0361 0.0510 ( 9609 PWs) bands (ev): -57.2345 -57.2345 -33.0770 -33.0770 -30.5969 -30.5969 -30.5969 -30.5969 -25.3095 -25.3095 -25.3071 -25.3071 -11.3169 -11.3169 -10.5716 -10.5716 -10.5599 -10.5599 -10.5209 -10.5209 -10.4862 -10.4862 -10.4823 -10.4823 -8.9880 -8.9880 -8.9659 -8.9659 -8.7244 -8.7244 -8.7240 -8.7240 -8.7009 -8.7009 -8.6997 -8.6997 -1.1228 -1.1228 -0.4515 -0.4515 -0.4395 -0.4395 -0.3921 -0.3921 -0.3430 -0.3430 -0.2996 -0.2996 0.1732 0.1732 0.1975 0.1975 0.2253 0.2253 1.6885 1.6885 1.6899 1.6899 1.7488 1.7488 2.1225 2.1225 2.2688 2.2688 2.2832 2.2832 2.5250 2.5250 2.5881 2.5881 2.6035 2.6035 4.6919 4.6919 4.7085 4.7085 4.8237 4.8237 8.2137 8.2137 8.2878 8.2878 8.3284 8.3284 9.3612 9.3612 9.7266 9.7266 k = 0.0781-0.0451 0.0638 ( 9625 PWs) bands (ev): -57.2346 -57.2346 -33.0770 -33.0770 -30.5969 -30.5969 -30.5969 -30.5969 -25.3095 -25.3095 -25.3072 -25.3072 -11.3147 -11.3147 -10.5771 -10.5771 -10.5597 -10.5597 -10.5210 -10.5210 -10.4871 -10.4871 -10.4814 -10.4814 -8.9870 -8.9870 -8.9655 -8.9655 -8.7236 -8.7236 -8.7229 -8.7229 -8.7008 -8.7008 -8.6989 -8.6989 -1.1121 -1.1121 -0.4528 -0.4528 -0.4335 -0.4335 -0.3873 -0.3873 -0.3640 -0.3640 -0.2997 -0.2997 0.1787 0.1787 0.2018 0.2018 0.2444 0.2444 1.6818 1.6818 1.6842 1.6842 1.7425 1.7425 2.1108 2.1108 2.2542 2.2542 2.2760 2.2760 2.5150 2.5150 2.5758 2.5758 2.6007 2.6007 4.6938 4.6938 4.7202 4.7202 4.8325 4.8325 8.2375 8.2375 8.2702 8.2702 8.3284 8.3284 9.3832 9.3832 9.7420 9.7420 k = 0.0938-0.0541 0.0765 ( 9621 PWs) bands (ev): -57.2345 -57.2345 -33.0770 -33.0770 -30.5969 -30.5969 -30.5969 -30.5969 -25.3095 -25.3095 -25.3072 -25.3072 -11.3120 -11.3120 -10.5833 -10.5833 -10.5595 -10.5595 -10.5213 -10.5213 -10.4883 -10.4883 -10.4805 -10.4805 -8.9858 -8.9858 -8.9650 -8.9650 -8.7226 -8.7226 -8.7216 -8.7216 -8.7007 -8.7007 -8.6980 -8.6980 -1.0994 -1.0994 -0.4548 -0.4548 -0.4271 -0.4271 -0.3865 -0.3865 -0.3810 -0.3810 -0.2998 -0.2998 0.1850 0.1850 0.2070 0.2070 0.2660 0.2660 1.6737 1.6737 1.6773 1.6773 1.7350 1.7350 2.0962 2.0962 2.2374 2.2374 2.2677 2.2677 2.5023 2.5023 2.5609 2.5609 2.5980 2.5980 4.6956 4.6956 4.7342 4.7342 4.8437 4.8437 8.2298 8.2298 8.2856 8.2856 8.3284 8.3284 9.4099 9.4099 9.7607 9.7607 k = 0.1094-0.0631 0.0893 ( 9621 PWs) bands (ev): -57.2345 -57.2345 -33.0770 -33.0770 -30.5969 -30.5969 -30.5969 -30.5969 -25.3094 -25.3094 -25.3072 -25.3072 -11.3089 -11.3089 -10.5900 -10.5900 -10.5592 -10.5592 -10.5219 -10.5219 -10.4896 -10.4896 -10.4797 -10.4797 -8.9844 -8.9844 -8.9643 -8.9643 -8.7214 -8.7214 -8.7201 -8.7201 -8.7005 -8.7005 -8.6969 -8.6969 -1.0846 -1.0846 -0.4575 -0.4575 -0.4255 -0.4255 -0.4042 -0.4042 -0.3732 -0.3732 -0.2999 -0.2999 0.1919 0.1919 0.2130 0.2130 0.2892 0.2892 1.6641 1.6641 1.6693 1.6693 1.7262 1.7262 2.0786 2.0786 2.2191 2.2191 2.2583 2.2583 2.4868 2.4868 2.5436 2.5436 2.5955 2.5955 4.6970 4.6970 4.7502 4.7502 4.8570 4.8570 8.2000 8.2000 8.3248 8.3248 8.3284 8.3284 9.4414 9.4414 9.7826 9.7826 k = 0.1250-0.0722 0.1021 ( 9617 PWs) bands (ev): -57.2345 -57.2345 -33.0770 -33.0770 -30.5969 -30.5969 -30.5969 -30.5969 -25.3094 -25.3094 -25.3072 -25.3072 -11.3053 -11.3053 -10.5971 -10.5971 -10.5590 -10.5590 -10.5228 -10.5228 -10.4911 -10.4911 -10.4790 -10.4790 -8.9828 -8.9828 -8.9637 -8.9637 -8.7201 -8.7201 -8.7184 -8.7184 -8.7003 -8.7003 -8.6957 -8.6957 -1.0680 -1.0680 -0.4611 -0.4611 -0.4438 -0.4438 -0.4016 -0.4016 -0.3638 -0.3638 -0.3000 -0.3000 0.1997 0.1997 0.2199 0.2199 0.3135 0.3135 1.6530 1.6530 1.6601 1.6601 1.7162 1.7162 2.0578 2.0578 2.1999 2.1999 2.2480 2.2480 2.4687 2.4687 2.5240 2.5240 2.5931 2.5931 4.6979 4.6979 4.7682 4.7682 4.8726 4.8726 8.1647 8.1647 8.3285 8.3285 8.3714 8.3714 9.4773 9.4773 9.8076 9.8076 k = 0.1406-0.0812 0.1148 ( 9605 PWs) bands (ev): -57.2345 -57.2345 -33.0770 -33.0770 -30.5969 -30.5969 -30.5969 -30.5969 -25.3094 -25.3094 -25.3073 -25.3073 -11.3013 -11.3013 -10.6045 -10.6045 -10.5586 -10.5586 -10.5239 -10.5239 -10.4928 -10.4928 -10.4786 -10.4786 -8.9811 -8.9811 -8.9629 -8.9629 -8.7186 -8.7186 -8.7165 -8.7165 -8.7001 -8.7001 -8.6944 -8.6944 -1.0499 -1.0499 -0.4686 -0.4686 -0.4653 -0.4653 -0.3914 -0.3914 -0.3530 -0.3530 -0.3001 -0.3001 0.2082 0.2082 0.2276 0.2276 0.3383 0.3383 1.6403 1.6403 1.6498 1.6498 1.7050 1.7050 2.0335 2.0335 2.1805 2.1805 2.2371 2.2371 2.4481 2.4481 2.5021 2.5021 2.5910 2.5910 4.6984 4.6984 4.7878 4.7878 4.8901 4.8901 8.1254 8.1254 8.3285 8.3285 8.4237 8.4237 9.5178 9.5178 9.8355 9.8355 k = 0.1562-0.0902 0.1276 ( 9613 PWs) bands (ev): -57.2345 -57.2345 -33.0770 -33.0770 -30.5969 -30.5969 -30.5969 -30.5969 -25.3093 -25.3093 -25.3073 -25.3073 -11.2970 -11.2970 -10.6121 -10.6121 -10.5583 -10.5583 -10.5253 -10.5253 -10.4946 -10.4946 -10.4785 -10.4785 -8.9792 -8.9792 -8.9621 -8.9621 -8.7170 -8.7170 -8.7145 -8.7145 -8.6999 -8.6999 -8.6930 -8.6930 -1.0305 -1.0305 -0.4940 -0.4940 -0.4701 -0.4701 -0.3791 -0.3791 -0.3409 -0.3409 -0.3002 -0.3002 0.2175 0.2175 0.2361 0.2361 0.3633 0.3633 1.6263 1.6263 1.6385 1.6385 1.6930 1.6930 2.0056 2.0056 2.1615 2.1615 2.2257 2.2257 2.4252 2.4252 2.4783 2.4783 2.5891 2.5891 4.6984 4.6984 4.8088 4.8088 4.9094 4.9094 8.0829 8.0829 8.3285 8.3285 8.4813 8.4813 9.5626 9.5626 9.8661 9.8661 k = 0.1719-0.0992 0.1403 ( 9637 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5969 -30.5969 -25.3093 -25.3093 -25.3073 -25.3073 -11.2923 -11.2923 -10.6198 -10.6198 -10.5579 -10.5579 -10.5268 -10.5268 -10.4965 -10.4965 -10.4787 -10.4787 -8.9772 -8.9772 -8.9613 -8.9613 -8.7154 -8.7154 -8.7124 -8.7124 -8.6997 -8.6997 -8.6915 -8.6915 -1.0101 -1.0101 -0.5185 -0.5185 -0.4755 -0.4755 -0.3654 -0.3654 -0.3277 -0.3277 -0.3001 -0.3001 0.2275 0.2275 0.2452 0.2452 0.3880 0.3880 1.6108 1.6108 1.6261 1.6261 1.6801 1.6801 1.9742 1.9742 2.1434 2.1434 2.2139 2.2139 2.4001 2.4001 2.4526 2.4526 2.5874 2.5874 4.6980 4.6980 4.8310 4.8310 4.9303 4.9303 8.0378 8.0378 8.3285 8.3285 8.5438 8.5438 9.6117 9.6117 9.8993 9.8993 k = 0.1875-0.1083 0.1531 ( 9629 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5969 -30.5969 -25.3093 -25.3093 -25.3073 -25.3073 -11.2874 -11.2874 -10.6277 -10.6277 -10.5575 -10.5575 -10.5285 -10.5285 -10.4985 -10.4985 -10.4792 -10.4792 -8.9751 -8.9751 -8.9604 -8.9604 -8.7136 -8.7136 -8.7101 -8.7101 -8.6994 -8.6994 -8.6899 -8.6899 -0.9895 -0.9895 -0.5413 -0.5413 -0.4813 -0.4813 -0.3507 -0.3507 -0.3141 -0.3141 -0.2993 -0.2993 0.2382 0.2382 0.2551 0.2551 0.4122 0.4122 1.5941 1.5941 1.6128 1.6128 1.6666 1.6666 1.9397 1.9397 2.1263 2.1263 2.2020 2.2020 2.3732 2.3732 2.4253 2.4253 2.5858 2.5858 4.6973 4.6973 4.8541 4.8541 4.9524 4.9524 7.9905 7.9905 8.3284 8.3284 8.6108 8.6108 9.6648 9.6648 9.9348 9.9348 k = 0.2031-0.1173 0.1659 ( 9613 PWs) bands (ev): -57.2345 -57.2345 -33.0770 -33.0770 -30.5969 -30.5969 -30.5969 -30.5969 -25.3092 -25.3092 -25.3074 -25.3074 -11.2822 -11.2822 -10.6355 -10.6355 -10.5571 -10.5571 -10.5303 -10.5303 -10.5006 -10.5006 -10.4800 -10.4800 -8.9729 -8.9729 -8.9595 -8.9595 -8.7117 -8.7117 -8.7077 -8.7077 -8.6992 -8.6992 -8.6882 -8.6882 -0.9691 -0.9691 -0.5618 -0.5618 -0.4874 -0.4874 -0.3349 -0.3349 -0.3046 -0.3046 -0.2933 -0.2933 0.2496 0.2496 0.2655 0.2655 0.4358 0.4358 1.5762 1.5762 1.5984 1.5984 1.6527 1.6527 1.9025 1.9025 2.1104 2.1104 2.1900 2.1900 2.3447 2.3447 2.3967 2.3967 2.5842 2.5842 4.6963 4.6963 4.8780 4.8780 4.9754 4.9754 7.9415 7.9415 8.3284 8.3284 8.6820 8.6820 9.7218 9.7218 9.9724 9.9724 k = 0.2188-0.1263 0.1786 ( 9613 PWs) bands (ev): -57.2345 -57.2345 -33.0770 -33.0770 -30.5969 -30.5969 -30.5969 -30.5969 -25.3092 -25.3092 -25.3074 -25.3074 -11.2768 -11.2768 -10.6433 -10.6433 -10.5567 -10.5567 -10.5322 -10.5322 -10.5027 -10.5027 -10.4811 -10.4811 -8.9707 -8.9707 -8.9586 -8.9586 -8.7098 -8.7098 -8.7053 -8.7053 -8.6989 -8.6989 -8.6864 -8.6864 -0.9499 -0.9499 -0.5789 -0.5789 -0.4938 -0.4938 -0.3183 -0.3183 -0.3028 -0.3028 -0.2787 -0.2787 0.2614 0.2614 0.2763 0.2763 0.4587 0.4587 1.5573 1.5573 1.5832 1.5832 1.6387 1.6387 1.8629 1.8629 2.0955 2.0955 2.1780 2.1780 2.3149 2.3149 2.3670 2.3670 2.5828 2.5828 4.6950 4.6950 4.9023 4.9023 4.9991 4.9991 7.8914 7.8914 8.3284 8.3284 8.7572 8.7572 9.7826 9.7826 10.0118 10.0118 k = 0.2344-0.1353 0.1914 ( 9605 PWs) bands (ev): -57.2345 -57.2345 -33.0770 -33.0770 -30.5969 -30.5969 -30.5969 -30.5969 -25.3091 -25.3091 -25.3075 -25.3075 -11.2712 -11.2712 -10.6509 -10.6509 -10.5563 -10.5563 -10.5341 -10.5341 -10.5049 -10.5049 -10.4825 -10.4825 -8.9684 -8.9684 -8.9577 -8.9577 -8.7079 -8.7079 -8.7028 -8.7028 -8.6986 -8.6986 -8.6847 -8.6847 -0.9330 -0.9330 -0.5916 -0.5916 -0.5004 -0.5004 -0.3026 -0.3026 -0.3010 -0.3010 -0.2617 -0.2617 0.2738 0.2738 0.2876 0.2876 0.4805 0.4805 1.5376 1.5376 1.5672 1.5672 1.6246 1.6246 1.8216 1.8216 2.0816 2.0816 2.1659 2.1659 2.2840 2.2840 2.3365 2.3365 2.5814 2.5814 4.6935 4.6935 4.9268 4.9268 5.0233 5.0233 7.8407 7.8407 8.3283 8.3283 8.8358 8.8358 9.8470 9.8470 10.0525 10.0525 k = 0.2500-0.1443 0.2041 ( 9613 PWs) bands (ev): -57.2345 -57.2345 -33.0770 -33.0770 -30.5969 -30.5969 -30.5969 -30.5969 -25.3091 -25.3091 -25.3075 -25.3075 -11.2655 -11.2655 -10.6584 -10.6584 -10.5558 -10.5558 -10.5362 -10.5362 -10.5071 -10.5071 -10.4841 -10.4841 -8.9661 -8.9661 -8.9567 -8.9567 -8.7060 -8.7060 -8.7003 -8.7003 -8.6983 -8.6983 -8.6829 -8.6829 -0.9195 -0.9195 -0.5988 -0.5988 -0.5071 -0.5071 -0.3026 -0.3026 -0.2830 -0.2830 -0.2438 -0.2438 0.2864 0.2864 0.2991 0.2991 0.5014 0.5014 1.5173 1.5173 1.5505 1.5505 1.6108 1.6108 1.7791 1.7791 2.0685 2.0685 2.1536 2.1536 2.2524 2.2524 2.3058 2.3058 2.5800 2.5800 4.6919 4.6919 4.9513 4.9513 5.0475 5.0475 7.7898 7.7898 8.3283 8.3283 8.9176 8.9176 9.9147 9.9147 10.0942 10.0942 k = 0.2656-0.1534 0.2169 ( 9589 PWs) bands (ev): -57.2344 -57.2344 -33.0770 -33.0770 -30.5969 -30.5969 -30.5969 -30.5969 -25.3090 -25.3090 -25.3075 -25.3075 -11.2597 -11.2597 -10.6657 -10.6657 -10.5554 -10.5554 -10.5382 -10.5382 -10.5093 -10.5093 -10.4860 -10.4860 -8.9638 -8.9638 -8.9558 -8.9558 -8.7040 -8.7040 -8.6980 -8.6980 -8.6978 -8.6978 -8.6812 -8.6812 -0.9105 -0.9105 -0.5996 -0.5996 -0.5138 -0.5138 -0.3028 -0.3028 -0.2646 -0.2646 -0.2254 -0.2254 0.2993 0.2993 0.3109 0.3109 0.5211 0.5211 1.4966 1.4966 1.5333 1.5333 1.5973 1.5973 1.7358 1.7358 2.0561 2.0561 2.1409 2.1409 2.2205 2.2205 2.2755 2.2755 2.5788 2.5788 4.6903 4.6903 4.9756 4.9756 5.0716 5.0716 7.7393 7.7393 8.3282 8.3282 9.0021 9.0021 9.9856 9.9856 10.1363 10.1363 k = 0.2812-0.1624 0.2296 ( 9601 PWs) bands (ev): -57.2345 -57.2345 -33.0770 -33.0770 -30.5969 -30.5969 -30.5969 -30.5969 -25.3090 -25.3090 -25.3076 -25.3076 -11.2539 -11.2539 -10.6727 -10.6727 -10.5550 -10.5550 -10.5402 -10.5402 -10.5114 -10.5114 -10.4881 -10.4881 -8.9615 -8.9615 -8.9550 -8.9550 -8.7022 -8.7022 -8.6976 -8.6976 -8.6953 -8.6953 -8.6794 -8.6794 -0.9064 -0.9064 -0.5935 -0.5935 -0.5205 -0.5205 -0.3029 -0.3029 -0.2459 -0.2459 -0.2065 -0.2065 0.3123 0.3123 0.3226 0.3226 0.5396 0.5396 1.4757 1.4757 1.5160 1.5160 1.5843 1.5843 1.6922 1.6922 2.0441 2.0441 2.1274 2.1274 2.1887 2.1887 2.2461 2.2461 2.5775 2.5775 4.6886 4.6886 4.9994 4.9994 5.0954 5.0954 7.6895 7.6895 8.3281 8.3281 9.0891 9.0891 10.0594 10.0594 10.1783 10.1783 k = 0.2969-0.1714 0.2424 ( 9577 PWs) bands (ev): -57.2344 -57.2344 -33.0770 -33.0770 -30.5969 -30.5969 -30.5969 -30.5969 -25.3090 -25.3090 -25.3076 -25.3076 -11.2482 -11.2482 -10.6794 -10.6794 -10.5545 -10.5545 -10.5423 -10.5423 -10.5135 -10.5135 -10.4903 -10.4903 -8.9593 -8.9593 -8.9541 -8.9541 -8.7006 -8.7006 -8.6971 -8.6971 -8.6929 -8.6929 -8.6777 -8.6777 -0.9070 -0.9070 -0.5810 -0.5810 -0.5271 -0.5271 -0.3031 -0.3031 -0.2270 -0.2270 -0.1874 -0.1874 0.3252 0.3252 0.3343 0.3343 0.5569 0.5569 1.4549 1.4549 1.4988 1.4988 1.5718 1.5718 1.6489 1.6489 2.0322 2.0322 2.1123 2.1123 2.1576 2.1576 2.2188 2.2188 2.5764 2.5764 4.6868 4.6868 5.0225 5.0225 5.1186 5.1186 7.6411 7.6411 8.3281 8.3281 9.1781 9.1781 10.1358 10.1358 10.2196 10.2196 k = 0.3125-0.1804 0.2552 ( 9601 PWs) bands (ev): -57.2345 -57.2345 -33.0770 -33.0770 -30.5969 -30.5969 -30.5969 -30.5969 -25.3089 -25.3089 -25.3076 -25.3076 -11.2426 -11.2426 -10.6858 -10.6858 -10.5541 -10.5541 -10.5443 -10.5443 -10.5155 -10.5155 -10.4927 -10.4927 -8.9572 -8.9572 -8.9533 -8.9533 -8.6993 -8.6993 -8.6963 -8.6963 -8.6906 -8.6906 -8.6761 -8.6761 -0.9114 -0.9114 -0.5633 -0.5633 -0.5335 -0.5335 -0.3033 -0.3033 -0.2081 -0.2081 -0.1683 -0.1683 0.3379 0.3379 0.3457 0.3457 0.5729 0.5729 1.4344 1.4344 1.4819 1.4819 1.5599 1.5599 1.6063 1.6063 2.0199 2.0199 2.0949 2.0949 2.1280 2.1280 2.1946 2.1946 2.5753 2.5753 4.6851 4.6851 5.0448 5.0448 5.1409 5.1409 7.5944 7.5944 8.3280 8.3280 9.2686 9.2686 10.2146 10.2146 10.2593 10.2593 k = 0.3281-0.1894 0.2679 ( 9605 PWs) bands (ev): -57.2345 -57.2345 -33.0770 -33.0770 -30.5969 -30.5969 -30.5969 -30.5969 -25.3089 -25.3089 -25.3076 -25.3076 -11.2371 -11.2371 -10.6918 -10.6918 -10.5537 -10.5537 -10.5462 -10.5462 -10.5175 -10.5175 -10.4951 -10.4951 -8.9551 -8.9551 -8.9525 -8.9525 -8.6984 -8.6984 -8.6951 -8.6951 -8.6883 -8.6883 -8.6746 -8.6746 -0.9186 -0.9186 -0.5415 -0.5415 -0.5396 -0.5396 -0.3035 -0.3035 -0.1894 -0.1894 -0.1493 -0.1493 0.3502 0.3502 0.3567 0.3567 0.5875 0.5875 1.4143 1.4143 1.4657 1.4657 1.5487 1.5487 1.5650 1.5650 2.0063 2.0063 2.0746 2.0746 2.1009 2.1009 2.1745 2.1745 2.5742 2.5742 4.6835 4.6835 5.0660 5.0660 5.1623 5.1623 7.5498 7.5498 8.3279 8.3279 9.3602 9.3602 10.2954 10.2954 10.2968 10.2968 k = 0.3438-0.1985 0.2807 ( 9613 PWs) bands (ev): -57.2345 -57.2345 -33.0770 -33.0770 -30.5969 -30.5969 -30.5969 -30.5969 -25.3088 -25.3088 -25.3077 -25.3077 -11.2319 -11.2319 -10.6974 -10.6974 -10.5534 -10.5534 -10.5480 -10.5480 -10.5193 -10.5193 -10.4975 -10.4975 -8.9531 -8.9531 -8.9518 -8.9518 -8.6979 -8.6979 -8.6937 -8.6937 -8.6862 -8.6862 -8.6731 -8.6731 -0.9275 -0.9275 -0.5454 -0.5454 -0.5172 -0.5172 -0.3037 -0.3037 -0.1711 -0.1711 -0.1308 -0.1308 0.3619 0.3619 0.3672 0.3672 0.6008 0.6008 1.3947 1.3947 1.4505 1.4505 1.5256 1.5256 1.5382 1.5382 1.9906 1.9906 2.0517 2.0517 2.0775 2.0775 2.1585 2.1585 2.5733 2.5733 4.6819 4.6819 5.0860 5.0860 5.1824 5.1824 7.5077 7.5077 8.3278 8.3278 9.4523 9.4523 10.3310 10.3310 10.3779 10.3779 k = 0.3594-0.2075 0.2934 ( 9613 PWs) bands (ev): -57.2345 -57.2345 -33.0770 -33.0770 -30.5969 -30.5969 -30.5969 -30.5969 -25.3088 -25.3088 -25.3077 -25.3077 -11.2269 -11.2269 -10.7025 -10.7025 -10.5530 -10.5530 -10.5498 -10.5498 -10.5211 -10.5211 -10.4998 -10.4998 -8.9513 -8.9513 -8.9511 -8.9511 -8.6975 -8.6975 -8.6923 -8.6923 -8.6843 -8.6843 -8.6717 -8.6717 -0.9372 -0.9372 -0.5509 -0.5509 -0.4916 -0.4916 -0.3039 -0.3039 -0.1535 -0.1535 -0.1129 -0.1129 0.3730 0.3730 0.3769 0.3769 0.6128 0.6128 1.3757 1.3757 1.4364 1.4364 1.4888 1.4888 1.5285 1.5285 1.9723 1.9723 2.0271 2.0271 2.0588 2.0588 2.1460 2.1460 2.5723 2.5723 4.6804 4.6804 5.1046 5.1046 5.2012 5.2012 7.4685 7.4685 8.3278 8.3278 9.5444 9.5444 10.3610 10.3610 10.4616 10.4616 k = 0.3750-0.2165 0.3062 ( 9605 PWs) bands (ev): -57.2345 -57.2345 -33.0770 -33.0770 -30.5969 -30.5969 -30.5969 -30.5969 -25.3088 -25.3088 -25.3077 -25.3077 -11.2223 -11.2223 -10.7072 -10.7072 -10.5527 -10.5527 -10.5514 -10.5514 -10.5226 -10.5226 -10.5021 -10.5021 -8.9505 -8.9505 -8.9496 -8.9496 -8.6972 -8.6972 -8.6909 -8.6909 -8.6824 -8.6824 -8.6704 -8.6704 -0.9470 -0.9470 -0.5559 -0.5559 -0.4657 -0.4657 -0.3040 -0.3040 -0.1368 -0.1368 -0.0958 -0.0958 0.3832 0.3832 0.3859 0.3859 0.6233 0.6233 1.3571 1.3571 1.4236 1.4236 1.4554 1.4554 1.5197 1.5197 1.9518 1.9518 2.0020 2.0020 2.0446 2.0446 2.1363 2.1363 2.5715 2.5715 4.6791 4.6791 5.1216 5.1216 5.2185 5.2185 7.4325 7.4325 8.3277 8.3277 9.6359 9.6359 10.3857 10.3857 10.5462 10.5462 k = 0.3906-0.2255 0.3189 ( 9601 PWs) bands (ev): -57.2345 -57.2345 -33.0770 -33.0770 -30.5969 -30.5969 -30.5969 -30.5969 -25.3087 -25.3087 -25.3078 -25.3078 -11.2181 -11.2181 -10.7114 -10.7114 -10.5529 -10.5529 -10.5524 -10.5524 -10.5241 -10.5241 -10.5042 -10.5042 -8.9500 -8.9500 -8.9481 -8.9481 -8.6970 -8.6970 -8.6896 -8.6896 -8.6807 -8.6807 -8.6693 -8.6693 -0.9564 -0.9564 -0.5604 -0.5604 -0.4405 -0.4405 -0.3041 -0.3041 -0.1212 -0.1212 -0.0799 -0.0799 0.3924 0.3924 0.3939 0.3939 0.6325 0.6325 1.3388 1.3388 1.4124 1.4124 1.4263 1.4263 1.5117 1.5117 1.9302 1.9302 1.9776 1.9776 2.0341 2.0341 2.1287 2.1287 2.5708 2.5708 4.6778 4.6778 5.1370 5.1370 5.2341 5.2341 7.4000 7.4000 8.3276 8.3276 9.7258 9.7258 10.4041 10.4041 10.6310 10.6310 k = 0.4062-0.2345 0.3317 ( 9617 PWs) bands (ev): -57.2345 -57.2345 -33.0770 -33.0770 -30.5969 -30.5969 -30.5969 -30.5969 -25.3087 -25.3087 -25.3078 -25.3078 -11.2143 -11.2143 -10.7150 -10.7150 -10.5543 -10.5543 -10.5521 -10.5521 -10.5253 -10.5253 -10.5062 -10.5062 -8.9495 -8.9495 -8.9468 -8.9468 -8.6968 -8.6968 -8.6885 -8.6885 -8.6793 -8.6793 -8.6683 -8.6683 -0.9651 -0.9651 -0.5645 -0.5645 -0.4167 -0.4167 -0.3043 -0.3043 -0.1069 -0.1069 -0.0654 -0.0654 0.4004 0.4004 0.4009 0.4009 0.6404 0.6404 1.3206 1.3206 1.4020 1.4020 1.4027 1.4027 1.5048 1.5048 1.9091 1.9091 1.9546 1.9546 2.0263 2.0263 2.1226 2.1226 2.5701 2.5701 4.6767 4.6767 5.1506 5.1506 5.2478 5.2478 7.3713 7.3713 8.3275 8.3275 9.8135 9.8135 10.4152 10.4152 10.7154 10.7154 k = 0.4219-0.2436 0.3445 ( 9617 PWs) bands (ev): -57.2345 -57.2345 -33.0770 -33.0770 -30.5969 -30.5969 -30.5969 -30.5969 -25.3087 -25.3087 -25.3078 -25.3078 -11.2110 -11.2110 -10.7181 -10.7181 -10.5554 -10.5554 -10.5519 -10.5519 -10.5264 -10.5264 -10.5079 -10.5079 -8.9491 -8.9491 -8.9457 -8.9457 -8.6967 -8.6967 -8.6875 -8.6875 -8.6780 -8.6780 -8.6674 -8.6674 -0.9727 -0.9727 -0.5680 -0.5680 -0.3952 -0.3952 -0.3044 -0.3044 -0.0944 -0.0944 -0.0525 -0.0525 0.4068 0.4068 0.4073 0.4073 0.6469 0.6469 1.3029 1.3029 1.3828 1.3828 1.3947 1.3947 1.4988 1.4988 1.8895 1.8895 1.9339 1.9339 2.0204 2.0204 2.1177 2.1177 2.5696 2.5696 4.6758 4.6758 5.1622 5.1622 5.2597 5.2597 7.3465 7.3465 8.3275 8.3275 9.8978 9.8978 10.4181 10.4181 10.7986 10.7986 k = 0.4375-0.2526 0.3572 ( 9625 PWs) bands (ev): -57.2346 -57.2346 -33.0770 -33.0770 -30.5970 -30.5970 -30.5969 -30.5969 -25.3087 -25.3087 -25.3078 -25.3078 -11.2083 -11.2083 -10.7207 -10.7207 -10.5564 -10.5564 -10.5517 -10.5517 -10.5273 -10.5273 -10.5093 -10.5093 -8.9487 -8.9487 -8.9447 -8.9447 -8.6966 -8.6966 -8.6867 -8.6867 -8.6770 -8.6770 -8.6667 -8.6667 -0.9792 -0.9792 -0.5709 -0.5709 -0.3765 -0.3765 -0.3045 -0.3045 -0.0836 -0.0836 -0.0416 -0.0416 0.4116 0.4116 0.4130 0.4130 0.6521 0.6521 1.2865 1.2865 1.3684 1.3684 1.3883 1.3883 1.4938 1.4938 1.8724 1.8724 1.9161 1.9161 2.0160 2.0160 2.1139 2.1139 2.5691 2.5691 4.6750 4.6750 5.1719 5.1719 5.2695 5.2695 7.3260 7.3260 8.3274 8.3274 9.9776 9.9776 10.4124 10.4124 10.8797 10.8797 k = 0.4531-0.2616 0.3700 ( 9625 PWs) bands (ev): -57.2346 -57.2346 -33.0770 -33.0770 -30.5970 -30.5970 -30.5969 -30.5969 -25.3087 -25.3087 -25.3078 -25.3078 -11.2061 -11.2061 -10.7227 -10.7227 -10.5572 -10.5572 -10.5516 -10.5516 -10.5281 -10.5281 -10.5105 -10.5105 -8.9485 -8.9485 -8.9440 -8.9440 -8.6965 -8.6965 -8.6860 -8.6860 -8.6761 -8.6761 -8.6661 -8.6661 -0.9844 -0.9844 -0.5731 -0.5731 -0.3613 -0.3613 -0.3046 -0.3046 -0.0750 -0.0750 -0.0328 -0.0328 0.4153 0.4153 0.4174 0.4174 0.6561 0.6561 1.2725 1.2725 1.3582 1.3582 1.3835 1.3835 1.4899 1.4899 1.8585 1.8585 1.9016 1.9016 2.0128 2.0128 2.1111 2.1111 2.5687 2.5687 4.6744 4.6744 5.1795 5.1795 5.2772 5.2772 7.3099 7.3099 8.3274 8.3274 10.0510 10.0510 10.3983 10.3983 10.9575 10.9575 k = 0.4688-0.2706 0.3827 ( 9617 PWs) bands (ev): -57.2345 -57.2345 -33.0770 -33.0770 -30.5970 -30.5970 -30.5969 -30.5969 -25.3087 -25.3087 -25.3078 -25.3078 -11.2045 -11.2045 -10.7242 -10.7242 -10.5577 -10.5577 -10.5515 -10.5515 -10.5286 -10.5286 -10.5114 -10.5114 -8.9483 -8.9483 -8.9434 -8.9434 -8.6964 -8.6964 -8.6855 -8.6855 -8.6755 -8.6755 -8.6657 -8.6657 -0.9881 -0.9881 -0.5748 -0.5748 -0.3500 -0.3500 -0.3046 -0.3046 -0.0687 -0.0687 -0.0263 -0.0263 0.4179 0.4179 0.4205 0.4205 0.6589 0.6589 1.2618 1.2618 1.3513 1.3513 1.3802 1.3802 1.4871 1.4871 1.8481 1.8481 1.8909 1.8909 2.0106 2.0106 2.1091 2.1091 2.5685 2.5685 4.6739 4.6739 5.1850 5.1850 5.2828 5.2828 7.2983 7.2983 8.3274 8.3274 10.1152 10.1152 10.3775 10.3775 11.0299 11.0299 k = 0.4844-0.2797 0.3955 ( 9636 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5969 -30.5969 -25.3087 -25.3087 -25.3079 -25.3079 -11.2036 -11.2036 -10.7251 -10.7251 -10.5581 -10.5581 -10.5514 -10.5514 -10.5289 -10.5289 -10.5119 -10.5119 -8.9482 -8.9482 -8.9431 -8.9431 -8.6963 -8.6963 -8.6853 -8.6853 -8.6752 -8.6752 -8.6654 -8.6654 -0.9904 -0.9904 -0.5758 -0.5758 -0.3431 -0.3431 -0.3046 -0.3046 -0.0649 -0.0649 -0.0224 -0.0224 0.4195 0.4195 0.4224 0.4224 0.6605 0.6605 1.2551 1.2551 1.3474 1.3474 1.3782 1.3782 1.4855 1.4855 1.8417 1.8417 1.8844 1.8844 2.0093 2.0093 2.1079 2.1079 2.5683 2.5683 4.6736 4.6736 5.1883 5.1883 5.2862 5.2862 7.2913 7.2913 8.3274 8.3274 10.1641 10.1641 10.3548 10.3548 11.0927 11.0927 k = 0.5000-0.2887 0.4082 ( 9640 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5969 -30.5969 -25.3086 -25.3086 -25.3079 -25.3079 -11.2033 -11.2033 -10.7253 -10.7253 -10.5582 -10.5582 -10.5514 -10.5514 -10.5290 -10.5290 -10.5121 -10.5121 -8.9481 -8.9481 -8.9430 -8.9430 -8.6963 -8.6963 -8.6852 -8.6852 -8.6751 -8.6751 -8.6654 -8.6654 -0.9912 -0.9912 -0.5761 -0.5761 -0.3408 -0.3408 -0.3046 -0.3046 -0.0636 -0.0636 -0.0210 -0.0210 0.4200 0.4200 0.4230 0.4230 0.6611 0.6611 1.2528 1.2528 1.3461 1.3461 1.3775 1.3775 1.4849 1.4849 1.8396 1.8396 1.8822 1.8822 2.0089 2.0089 2.1075 2.1075 2.5683 2.5683 4.6736 4.6736 5.1894 5.1894 5.2873 5.2873 7.2889 7.2889 8.3274 8.3274 10.1844 10.1844 10.3435 10.3435 11.1252 11.1252 k = 0.5000-0.2887 0.4082 ( 9640 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5969 -30.5969 -25.3086 -25.3086 -25.3079 -25.3079 -11.2033 -11.2033 -10.7253 -10.7253 -10.5582 -10.5582 -10.5514 -10.5514 -10.5290 -10.5290 -10.5121 -10.5121 -8.9481 -8.9481 -8.9430 -8.9430 -8.6963 -8.6963 -8.6852 -8.6852 -8.6751 -8.6751 -8.6654 -8.6654 -0.9912 -0.9912 -0.5761 -0.5761 -0.3408 -0.3408 -0.3046 -0.3046 -0.0636 -0.0636 -0.0210 -0.0210 0.4200 0.4200 0.4230 0.4230 0.6611 0.6611 1.2528 1.2528 1.3461 1.3461 1.3775 1.3775 1.4849 1.4849 1.8396 1.8396 1.8822 1.8822 2.0089 2.0089 2.1075 2.1075 2.5683 2.5683 4.6736 4.6736 5.1894 5.1894 5.2873 5.2873 7.2889 7.2889 8.3274 8.3274 10.1844 10.1844 10.3435 10.3435 11.1252 11.1252 k = 0.5000-0.2706 0.4210 ( 9636 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5969 -30.5969 -25.3086 -25.3086 -25.3079 -25.3079 -11.2032 -11.2032 -10.7256 -10.7256 -10.5597 -10.5597 -10.5508 -10.5508 -10.5280 -10.5280 -10.5120 -10.5120 -8.9481 -8.9481 -8.9430 -8.9430 -8.6963 -8.6963 -8.6852 -8.6852 -8.6751 -8.6751 -8.6654 -8.6654 -0.9902 -0.9902 -0.5751 -0.5751 -0.3415 -0.3415 -0.3063 -0.3063 -0.0645 -0.0645 -0.0219 -0.0219 0.4209 0.4209 0.4239 0.4239 0.6605 0.6605 1.2541 1.2541 1.3469 1.3469 1.3780 1.3780 1.4840 1.4840 1.8411 1.8411 1.8838 1.8838 2.0075 2.0075 2.1060 2.1060 2.5670 2.5670 4.6750 4.6750 5.1888 5.1888 5.2867 5.2867 7.2908 7.2908 8.3257 8.3257 10.1864 10.1864 10.3458 10.3458 11.1233 11.1233 k = 0.5000-0.2526 0.4338 ( 9620 PWs) bands (ev): -57.2345 -57.2345 -33.0770 -33.0770 -30.5970 -30.5970 -30.5969 -30.5969 -25.3086 -25.3086 -25.3079 -25.3079 -11.2029 -11.2029 -10.7264 -10.7264 -10.5630 -10.5630 -10.5498 -10.5498 -10.5254 -10.5254 -10.5117 -10.5117 -8.9481 -8.9481 -8.9430 -8.9430 -8.6962 -8.6962 -8.6852 -8.6852 -8.6750 -8.6750 -8.6655 -8.6655 -0.9872 -0.9872 -0.5722 -0.5722 -0.3441 -0.3441 -0.3107 -0.3107 -0.0675 -0.0675 -0.0244 -0.0244 0.4230 0.4230 0.4271 0.4271 0.6589 0.6589 1.2578 1.2578 1.3489 1.3489 1.3793 1.3793 1.4816 1.4816 1.8449 1.8449 1.8890 1.8890 2.0031 2.0031 2.1015 2.1015 2.5634 2.5634 4.6793 4.6793 5.1868 5.1868 5.2848 5.2848 7.2964 7.2964 8.3207 8.3207 10.1925 10.1925 10.3526 10.3526 11.1175 11.1175 k = 0.5000-0.2345 0.4465 ( 9624 PWs) bands (ev): -57.2346 -57.2346 -33.0770 -33.0770 -30.5970 -30.5970 -30.5969 -30.5969 -25.3086 -25.3086 -25.3079 -25.3079 -11.2024 -11.2024 -10.7277 -10.7277 -10.5669 -10.5669 -10.5490 -10.5490 -10.5221 -10.5221 -10.5110 -10.5110 -8.9480 -8.9480 -8.9431 -8.9431 -8.6960 -8.6960 -8.6853 -8.6853 -8.6751 -8.6751 -8.6656 -8.6656 -0.9822 -0.9822 -0.5674 -0.5674 -0.3497 -0.3497 -0.3163 -0.3163 -0.0731 -0.0731 -0.0277 -0.0277 0.4257 0.4257 0.4328 0.4328 0.6562 0.6562 1.2638 1.2638 1.3519 1.3519 1.3818 1.3818 1.4784 1.4784 1.8493 1.8493 1.8992 1.8992 1.9959 1.9959 2.0940 2.0940 2.5573 2.5573 4.6864 4.6864 5.1834 5.1834 5.2820 5.2820 7.3057 7.3057 8.3124 8.3124 10.2027 10.2027 10.3639 10.3639 11.1077 11.1077 k = 0.5000-0.2165 0.4593 ( 9624 PWs) bands (ev): -57.2346 -57.2346 -33.0770 -33.0770 -30.5970 -30.5970 -30.5969 -30.5969 -25.3086 -25.3086 -25.3079 -25.3079 -11.2018 -11.2018 -10.7294 -10.7294 -10.5709 -10.5709 -10.5485 -10.5485 -10.5192 -10.5192 -10.5093 -10.5093 -8.9479 -8.9479 -8.9431 -8.9431 -8.6958 -8.6958 -8.6853 -8.6853 -8.6751 -8.6751 -8.6658 -8.6658 -0.9753 -0.9753 -0.5607 -0.5607 -0.3601 -0.3601 -0.3211 -0.3211 -0.0820 -0.0820 -0.0310 -0.0310 0.4293 0.4293 0.4405 0.4405 0.6523 0.6523 1.2713 1.2713 1.3554 1.3554 1.3857 1.3857 1.4755 1.4755 1.8527 1.8527 1.9150 1.9150 1.9859 1.9859 2.0838 2.0838 2.5489 2.5489 4.6962 4.6962 5.1784 5.1784 5.2784 5.2784 7.3183 7.3183 8.3011 8.3011 10.2168 10.2168 10.3797 10.3797 11.0937 11.0937 k = 0.5000-0.1985 0.4720 ( 9620 PWs) bands (ev): -57.2345 -57.2345 -33.0770 -33.0770 -30.5970 -30.5970 -30.5969 -30.5969 -25.3086 -25.3086 -25.3079 -25.3079 -11.2010 -11.2010 -10.7315 -10.7315 -10.5748 -10.5748 -10.5480 -10.5480 -10.5173 -10.5173 -10.5063 -10.5063 -8.9479 -8.9479 -8.9432 -8.9432 -8.6955 -8.6955 -8.6854 -8.6854 -8.6751 -8.6751 -8.6661 -8.6661 -0.9666 -0.9666 -0.5520 -0.5520 -0.3755 -0.3755 -0.3242 -0.3242 -0.0944 -0.0944 -0.0337 -0.0337 0.4337 0.4337 0.4497 0.4497 0.6473 0.6473 1.2798 1.2798 1.3590 1.3590 1.3912 1.3912 1.4744 1.4744 1.8550 1.8550 1.9358 1.9358 1.9732 1.9732 2.0710 2.0710 2.5380 2.5380 4.7086 4.7086 5.1715 5.1715 5.2743 5.2743 7.3342 7.3342 8.2869 8.2869 10.2348 10.2348 10.3998 10.3998 11.0751 11.0751 k = 0.5000-0.1804 0.4848 ( 9620 PWs) bands (ev): -57.2345 -57.2345 -33.0770 -33.0770 -30.5970 -30.5970 -30.5969 -30.5969 -25.3086 -25.3086 -25.3079 -25.3079 -11.2002 -11.2002 -10.7339 -10.7339 -10.5785 -10.5785 -10.5476 -10.5476 -10.5166 -10.5166 -10.5021 -10.5021 -8.9477 -8.9477 -8.9433 -8.9433 -8.6952 -8.6952 -8.6856 -8.6856 -8.6751 -8.6751 -8.6664 -8.6664 -0.9560 -0.9560 -0.5416 -0.5416 -0.3950 -0.3950 -0.3260 -0.3260 -0.1101 -0.1101 -0.0357 -0.0357 0.4390 0.4390 0.4597 0.4597 0.6412 0.6412 1.2883 1.2883 1.3620 1.3620 1.3982 1.3982 1.4766 1.4766 1.8565 1.8565 1.9580 1.9580 1.9607 1.9607 2.0559 2.0559 2.5249 2.5249 4.7233 4.7233 5.1625 5.1625 5.2701 5.2701 7.3528 7.3528 8.2701 8.2701 10.2566 10.2566 10.4240 10.4240 11.0519 11.0519 k = 0.5000-0.1624 0.4976 ( 9628 PWs) bands (ev): -57.2346 -57.2346 -33.0770 -33.0770 -30.5970 -30.5970 -30.5969 -30.5969 -25.3086 -25.3086 -25.3079 -25.3079 -11.1992 -11.1992 -10.7365 -10.7365 -10.5818 -10.5818 -10.5472 -10.5472 -10.5163 -10.5163 -10.4976 -10.4976 -8.9476 -8.9476 -8.9434 -8.9434 -8.6948 -8.6948 -8.6858 -8.6858 -8.6750 -8.6750 -8.6668 -8.6668 -0.9439 -0.9439 -0.5295 -0.5295 -0.4172 -0.4172 -0.3271 -0.3271 -0.1286 -0.1286 -0.0371 -0.0371 0.4451 0.4451 0.4701 0.4701 0.6341 0.6341 1.2960 1.2960 1.3641 1.3641 1.4069 1.4069 1.4834 1.4834 1.8574 1.8574 1.9406 1.9406 1.9885 1.9885 2.0389 2.0389 2.5094 2.5094 4.7402 4.7402 5.1512 5.1512 5.2662 5.2662 7.3739 7.3739 8.2510 8.2510 10.2819 10.2819 10.4523 10.4523 11.0241 11.0241 k = 0.5000-0.1443 0.5103 ( 9622 PWs) bands (ev): -57.2345 -57.2345 -33.0770 -33.0770 -30.5970 -30.5970 -30.5969 -30.5969 -25.3085 -25.3085 -25.3080 -25.3080 -11.1982 -11.1982 -10.7393 -10.7393 -10.5848 -10.5848 -10.5469 -10.5469 -10.5164 -10.5164 -10.4932 -10.4932 -8.9475 -8.9475 -8.9435 -8.9435 -8.6944 -8.6944 -8.6860 -8.6860 -8.6750 -8.6750 -8.6672 -8.6672 -0.9303 -0.9303 -0.5157 -0.5157 -0.4412 -0.4412 -0.3277 -0.3277 -0.1494 -0.1494 -0.0380 -0.0380 0.4520 0.4520 0.4805 0.4805 0.6260 0.6260 1.3022 1.3022 1.3649 1.3649 1.4174 1.4174 1.4952 1.4952 1.8580 1.8580 1.9209 1.9209 2.0170 2.0170 2.0218 2.0218 2.4918 2.4918 4.7591 4.7591 5.1376 5.1376 5.2626 5.2626 7.3967 7.3967 8.2302 8.2302 10.3107 10.3107 10.4843 10.4843 10.9917 10.9917 k = 0.5000-0.1263 0.5231 ( 9626 PWs) bands (ev): -57.2346 -57.2346 -33.0770 -33.0770 -30.5970 -30.5970 -30.5969 -30.5969 -25.3085 -25.3085 -25.3080 -25.3080 -11.1972 -11.1972 -10.7420 -10.7420 -10.5874 -10.5874 -10.5465 -10.5465 -10.5165 -10.5165 -10.4890 -10.4890 -8.9473 -8.9473 -8.9436 -8.9436 -8.6939 -8.6939 -8.6863 -8.6863 -8.6749 -8.6749 -8.6676 -8.6676 -0.9154 -0.9154 -0.5010 -0.5010 -0.4656 -0.4656 -0.3282 -0.3282 -0.1719 -0.1719 -0.0387 -0.0387 0.4598 0.4598 0.4904 0.4904 0.6170 0.6170 1.3067 1.3067 1.3643 1.3643 1.4300 1.4300 1.5118 1.5118 1.8584 1.8584 1.8994 1.8994 2.0004 2.0004 2.0504 2.0504 2.4721 2.4721 4.7798 4.7798 5.1217 5.1217 5.2596 5.2596 7.4208 7.4208 8.2081 8.2081 10.3428 10.3428 10.5198 10.5198 10.9553 10.9553 k = 0.5000-0.1083 0.5358 ( 9634 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5969 -30.5969 -25.3085 -25.3085 -25.3080 -25.3080 -11.1963 -11.1963 -10.7447 -10.7447 -10.5896 -10.5896 -10.5462 -10.5462 -10.5167 -10.5167 -10.4851 -10.4851 -8.9472 -8.9472 -8.9438 -8.9438 -8.6934 -8.6934 -8.6867 -8.6867 -8.6747 -8.6747 -8.6680 -8.6680 -0.8996 -0.8996 -0.4966 -0.4966 -0.4784 -0.4784 -0.3285 -0.3285 -0.1957 -0.1957 -0.0392 -0.0392 0.4681 0.4681 0.4996 0.4996 0.6073 0.6073 1.3096 1.3096 1.3627 1.3627 1.4441 1.4441 1.5323 1.5323 1.8586 1.8586 1.8762 1.8762 1.9805 1.9805 2.0830 2.0830 2.4504 2.4504 4.8018 4.8018 5.1038 5.1038 5.2571 5.2571 7.4453 7.4453 8.1856 8.1856 10.3779 10.3779 10.5583 10.5583 10.9152 10.9152 k = 0.5000-0.0902 0.5486 ( 9632 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5969 -30.5969 -25.3084 -25.3084 -25.3081 -25.3081 -11.1953 -11.1953 -10.7471 -10.7471 -10.5914 -10.5914 -10.5459 -10.5459 -10.5169 -10.5169 -10.4818 -10.4818 -8.9470 -8.9470 -8.9439 -8.9439 -8.6928 -8.6928 -8.6871 -8.6871 -8.6746 -8.6746 -8.6684 -8.6684 -0.8834 -0.8834 -0.5188 -0.5188 -0.4626 -0.4626 -0.3287 -0.3287 -0.2205 -0.2205 -0.0395 -0.0395 0.4771 0.4771 0.5077 0.5077 0.5970 0.5970 1.3114 1.3114 1.3608 1.3608 1.4590 1.4590 1.5557 1.5557 1.8515 1.8515 1.8588 1.8588 1.9608 1.9608 2.1164 2.1164 2.4268 2.4268 4.8249 4.8249 5.0841 5.0841 5.2552 5.2552 7.4692 7.4692 8.1635 8.1635 10.4157 10.4157 10.5994 10.5994 10.8723 10.8723 k = 0.5000-0.0722 0.5613 ( 9628 PWs) bands (ev): -57.2346 -57.2346 -33.0770 -33.0770 -30.5970 -30.5970 -30.5969 -30.5969 -25.3084 -25.3084 -25.3081 -25.3081 -11.1946 -11.1946 -10.7493 -10.7493 -10.5929 -10.5929 -10.5456 -10.5456 -10.5171 -10.5171 -10.4789 -10.4789 -8.9469 -8.9469 -8.9440 -8.9440 -8.6923 -8.6923 -8.6876 -8.6876 -8.6744 -8.6744 -8.6688 -8.6688 -0.8673 -0.8673 -0.5420 -0.5420 -0.4431 -0.4431 -0.3289 -0.3289 -0.2457 -0.2457 -0.0398 -0.0398 0.4864 0.4864 0.5148 0.5148 0.5863 0.5863 1.3124 1.3124 1.3587 1.3587 1.4736 1.4736 1.5812 1.5812 1.8258 1.8258 1.8590 1.8590 1.9423 1.9423 2.1500 2.1500 2.4015 2.4015 4.8488 4.8488 5.0631 5.0631 5.2537 5.2537 7.4916 7.4916 8.1427 8.1427 10.4561 10.4561 10.6421 10.6421 10.8270 10.8270 k = 0.5000-0.0541 0.5741 ( 9630 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5969 -30.5969 -25.3084 -25.3084 -25.3081 -25.3081 -11.1939 -11.1939 -10.7510 -10.7510 -10.5940 -10.5940 -10.5454 -10.5454 -10.5173 -10.5173 -10.4767 -10.4767 -8.9468 -8.9468 -8.9442 -8.9442 -8.6917 -8.6917 -8.6881 -8.6881 -8.6742 -8.6742 -8.6692 -8.6692 -0.8524 -0.8524 -0.5629 -0.5629 -0.4223 -0.4223 -0.3290 -0.3290 -0.2710 -0.2710 -0.0400 -0.0400 0.4958 0.4958 0.5206 0.5206 0.5756 0.5756 1.3128 1.3128 1.3570 1.3570 1.4868 1.4868 1.6079 1.6079 1.7994 1.7994 1.8590 1.8590 1.9262 1.9262 2.1835 2.1835 2.3746 2.3746 4.8728 4.8728 5.0413 5.0413 5.2526 5.2526 7.5110 7.5110 8.1246 8.1246 10.4987 10.4987 10.6851 10.6851 10.7802 10.7802 k = 0.5000-0.0361 0.5869 ( 9632 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5969 -30.5969 -25.3083 -25.3083 -25.3082 -25.3082 -11.1934 -11.1934 -10.7523 -10.7523 -10.5948 -10.5948 -10.5452 -10.5452 -10.5174 -10.5174 -10.4750 -10.4750 -8.9467 -8.9467 -8.9443 -8.9443 -8.6911 -8.6911 -8.6886 -8.6886 -8.6740 -8.6740 -8.6695 -8.6695 -0.8398 -0.8398 -0.5798 -0.5798 -0.4007 -0.4007 -0.3291 -0.3291 -0.2957 -0.2957 -0.0401 -0.0401 0.5047 0.5047 0.5252 0.5252 0.5653 0.5653 1.3130 1.3130 1.3556 1.3556 1.4973 1.4973 1.6344 1.6344 1.7733 1.7733 1.8591 1.8591 1.9135 1.9135 2.2164 2.2164 2.3466 2.3466 4.8959 4.8959 5.0197 5.0197 5.2518 5.2518 7.5262 7.5262 8.1103 8.1103 10.5432 10.5432 10.7256 10.7256 10.7325 10.7325 k = 0.5000-0.0180 0.5996 ( 9636 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5970 -30.5970 -25.3083 -25.3083 -25.3082 -25.3082 -11.1931 -11.1931 -10.7531 -10.7531 -10.5953 -10.5953 -10.5451 -10.5451 -10.5175 -10.5175 -10.4741 -10.4741 -8.9466 -8.9466 -8.9443 -8.9443 -8.6905 -8.6905 -8.6892 -8.6892 -8.6739 -8.6739 -8.6697 -8.6697 -0.8312 -0.8312 -0.5911 -0.5911 -0.3797 -0.3797 -0.3294 -0.3294 -0.3184 -0.3184 -0.0401 -0.0401 0.5116 0.5116 0.5291 0.5291 0.5565 0.5565 1.3131 1.3131 1.3548 1.3548 1.5042 1.5042 1.6578 1.6578 1.7503 1.7503 1.8591 1.8591 1.9053 1.9053 2.2476 2.2476 2.3182 2.3182 4.9157 4.9157 5.0008 5.0008 5.2513 5.2513 7.5360 7.5360 8.1011 8.1011 10.5892 10.5892 10.6844 10.6844 10.7577 10.7577 k = 0.5000 0.0000 0.6124 ( 9620 PWs) bands (ev): -57.2345 -57.2345 -33.0770 -33.0770 -30.5969 -30.5969 -30.5969 -30.5969 -25.3083 -25.3083 -25.3083 -25.3083 -11.1930 -11.1930 -10.7534 -10.7534 -10.5955 -10.5955 -10.5451 -10.5451 -10.5175 -10.5175 -10.4737 -10.4737 -8.9466 -8.9466 -8.9443 -8.9443 -8.6901 -8.6901 -8.6895 -8.6895 -8.6739 -8.6739 -8.6697 -8.6697 -0.8282 -0.8282 -0.5950 -0.5950 -0.3673 -0.3673 -0.3333 -0.3333 -0.3277 -0.3277 -0.0402 -0.0402 0.5143 0.5143 0.5310 0.5310 0.5525 0.5525 1.3131 1.3131 1.3545 1.3545 1.5065 1.5065 1.6691 1.6691 1.7392 1.7392 1.8591 1.8591 1.9025 1.9025 2.2679 2.2679 2.2989 2.2989 4.9249 4.9249 4.9920 4.9920 5.2512 5.2512 7.5393 7.5393 8.0980 8.0980 10.6337 10.6337 10.6392 10.6392 10.7709 10.7709 k = 0.5000 0.0000 0.6124 ( 9620 PWs) bands (ev): -57.2345 -57.2345 -33.0770 -33.0770 -30.5969 -30.5969 -30.5969 -30.5969 -25.3083 -25.3083 -25.3083 -25.3083 -11.1930 -11.1930 -10.7534 -10.7534 -10.5955 -10.5955 -10.5451 -10.5451 -10.5175 -10.5175 -10.4737 -10.4737 -8.9466 -8.9466 -8.9443 -8.9443 -8.6901 -8.6901 -8.6895 -8.6895 -8.6739 -8.6739 -8.6697 -8.6697 -0.8282 -0.8282 -0.5950 -0.5950 -0.3673 -0.3673 -0.3333 -0.3333 -0.3277 -0.3277 -0.0402 -0.0402 0.5143 0.5143 0.5310 0.5310 0.5525 0.5525 1.3131 1.3131 1.3545 1.3545 1.5065 1.5065 1.6691 1.6691 1.7392 1.7392 1.8591 1.8591 1.9025 1.9025 2.2679 2.2679 2.2989 2.2989 4.9249 4.9249 4.9920 4.9920 5.2512 5.2512 7.5393 7.5393 8.0980 8.0980 10.6337 10.6337 10.6392 10.6392 10.7709 10.7709 k = 0.4896 0.0180 0.6124 ( 9644 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5970 -30.5970 -25.3083 -25.3083 -25.3082 -25.3082 -11.1931 -11.1931 -10.7532 -10.7532 -10.5956 -10.5956 -10.5450 -10.5450 -10.5175 -10.5175 -10.4738 -10.4738 -8.9466 -8.9466 -8.9443 -8.9443 -8.6903 -8.6903 -8.6893 -8.6893 -8.6739 -8.6739 -8.6697 -8.6697 -0.8292 -0.8292 -0.5935 -0.5935 -0.3740 -0.3740 -0.3307 -0.3307 -0.3234 -0.3234 -0.0407 -0.0407 0.5067 0.5067 0.5340 0.5340 0.5563 0.5563 1.3136 1.3136 1.3551 1.3551 1.5050 1.5050 1.6628 1.6628 1.7431 1.7431 1.8605 1.8605 1.9062 1.9062 2.2570 2.2570 2.3093 2.3093 4.9205 4.9205 4.9961 4.9961 5.2508 5.2508 7.5387 7.5387 8.0992 8.0992 10.6036 10.6036 10.6555 10.6555 10.7739 10.7739 k = 0.4792 0.0361 0.6124 ( 9632 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5969 -30.5969 -25.3083 -25.3083 -25.3082 -25.3082 -11.1934 -11.1934 -10.7526 -10.7526 -10.5960 -10.5960 -10.5448 -10.5448 -10.5174 -10.5174 -10.4739 -10.4739 -8.9467 -8.9467 -8.9444 -8.9444 -8.6908 -8.6908 -8.6890 -8.6890 -8.6740 -8.6740 -8.6697 -8.6697 -0.8321 -0.8321 -0.5889 -0.5889 -0.3869 -0.3869 -0.3297 -0.3297 -0.3109 -0.3109 -0.0425 -0.0425 0.4914 0.4914 0.5407 0.5407 0.5631 0.5631 1.3153 1.3153 1.3570 1.3570 1.5013 1.5013 1.6481 1.6481 1.7490 1.7490 1.8645 1.8645 1.9179 1.9179 2.2377 2.2377 2.3268 2.3268 4.9096 4.9096 5.0064 5.0064 5.2495 5.2495 7.5368 7.5368 8.1027 8.1027 10.5698 10.5698 10.6520 10.6520 10.7793 10.7793 k = 0.4688 0.0541 0.6124 ( 9634 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5969 -30.5969 -25.3083 -25.3083 -25.3082 -25.3082 -11.1938 -11.1938 -10.7517 -10.7517 -10.5966 -10.5966 -10.5444 -10.5444 -10.5171 -10.5171 -10.4741 -10.4741 -8.9468 -8.9468 -8.9444 -8.9444 -8.6912 -8.6912 -8.6886 -8.6886 -8.6741 -8.6741 -8.6697 -8.6697 -0.8367 -0.8367 -0.5817 -0.5817 -0.4003 -0.4003 -0.3309 -0.3309 -0.2954 -0.2954 -0.0455 -0.0455 0.4745 0.4745 0.5476 0.5476 0.5703 0.5703 1.3182 1.3182 1.3601 1.3601 1.4962 1.4962 1.6296 1.6296 1.7517 1.7517 1.8708 1.8708 1.9371 1.9371 2.2167 2.2167 2.3445 2.3445 4.8957 4.8957 5.0195 5.0195 5.2474 5.2474 7.5338 7.5338 8.1081 8.1081 10.5362 10.5362 10.6363 10.6363 10.7797 10.7797 k = 0.4583 0.0722 0.6124 ( 9634 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5969 -30.5969 -25.3083 -25.3083 -25.3082 -25.3082 -11.1943 -11.1943 -10.7505 -10.7505 -10.5976 -10.5976 -10.5438 -10.5438 -10.5169 -10.5169 -10.4743 -10.4743 -8.9470 -8.9470 -8.9444 -8.9444 -8.6917 -8.6917 -8.6883 -8.6883 -8.6743 -8.6743 -8.6696 -8.6696 -0.8424 -0.8424 -0.5721 -0.5721 -0.4127 -0.4127 -0.3335 -0.3335 -0.2792 -0.2792 -0.0496 -0.0496 0.4577 0.4577 0.5540 0.5540 0.5771 0.5771 1.3222 1.3222 1.3644 1.3644 1.4903 1.4903 1.6096 1.6096 1.7505 1.7505 1.8793 1.8793 1.9612 1.9612 2.1953 2.1953 2.3613 2.3613 4.8808 4.8808 5.0335 5.0335 5.2446 5.2446 7.5300 7.5300 8.1149 8.1149 10.5040 10.5040 10.6158 10.6158 10.7743 10.7743 k = 0.4479 0.0902 0.6124 ( 9640 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5970 -30.5970 -25.3084 -25.3084 -25.3081 -25.3081 -11.1949 -11.1949 -10.7492 -10.7492 -10.5987 -10.5987 -10.5431 -10.5431 -10.5165 -10.5165 -10.4747 -10.4747 -8.9472 -8.9472 -8.9444 -8.9444 -8.6922 -8.6922 -8.6880 -8.6880 -8.6745 -8.6745 -8.6696 -8.6696 -0.8488 -0.8488 -0.5609 -0.5609 -0.4235 -0.4235 -0.3376 -0.3376 -0.2627 -0.2627 -0.0548 -0.0548 0.4418 0.4418 0.5596 0.5596 0.5835 0.5835 1.3272 1.3272 1.3698 1.3698 1.4838 1.4838 1.5890 1.5890 1.7468 1.7468 1.8896 1.8896 1.9875 1.9875 2.1737 2.1737 2.3767 2.3767 4.8661 4.8661 5.0477 5.0477 5.2410 5.2410 7.5256 7.5256 8.1227 8.1227 10.4739 10.4739 10.5943 10.5943 10.7651 10.7651 k = 0.4375 0.1083 0.6124 ( 9642 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5970 -30.5970 -25.3084 -25.3084 -25.3081 -25.3081 -11.1955 -11.1955 -10.7477 -10.7477 -10.5999 -10.5999 -10.5423 -10.5423 -10.5162 -10.5162 -10.4750 -10.4750 -8.9474 -8.9474 -8.9444 -8.9444 -8.6926 -8.6926 -8.6877 -8.6877 -8.6747 -8.6747 -8.6695 -8.6695 -0.8554 -0.8554 -0.5486 -0.5486 -0.4327 -0.4327 -0.3430 -0.3430 -0.2465 -0.2465 -0.0609 -0.0609 0.4272 0.4272 0.5645 0.5645 0.5893 0.5893 1.3330 1.3330 1.3763 1.3763 1.4771 1.4771 1.5684 1.5684 1.7420 1.7420 1.9015 1.9015 2.0135 2.0135 2.1522 2.1522 2.3905 2.3905 4.8521 4.8521 5.0615 5.0615 5.2369 5.2369 7.5210 7.5210 8.1309 8.1309 10.4467 10.4467 10.5737 10.5737 10.7543 10.7543 k = 0.4271 0.1263 0.6124 ( 9638 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5970 -30.5970 -25.3084 -25.3084 -25.3081 -25.3081 -11.1960 -11.1960 -10.7463 -10.7463 -10.6012 -10.6012 -10.5416 -10.5416 -10.5158 -10.5158 -10.4754 -10.4754 -8.9475 -8.9475 -8.9444 -8.9444 -8.6930 -8.6930 -8.6874 -8.6874 -8.6749 -8.6749 -8.6695 -8.6695 -0.8616 -0.8616 -0.5362 -0.5362 -0.4398 -0.4398 -0.3496 -0.3496 -0.2308 -0.2308 -0.0679 -0.0679 0.4142 0.4142 0.5685 0.5685 0.5943 0.5943 1.3396 1.3396 1.3837 1.3837 1.4704 1.4704 1.5483 1.5483 1.7369 1.7369 1.9146 1.9146 2.0376 2.0376 2.1310 2.1310 2.4024 2.4024 4.8394 4.8394 5.0745 5.0745 5.2323 5.2323 7.5165 7.5165 8.1389 8.1389 10.4228 10.4228 10.5550 10.5550 10.7433 10.7433 k = 0.4167 0.1443 0.6124 ( 9634 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5970 -30.5970 -25.3084 -25.3084 -25.3081 -25.3081 -11.1965 -11.1965 -10.7450 -10.7450 -10.6024 -10.6024 -10.5408 -10.5408 -10.5154 -10.5154 -10.4758 -10.4758 -8.9477 -8.9477 -8.9443 -8.9443 -8.6934 -8.6934 -8.6872 -8.6872 -8.6751 -8.6751 -8.6694 -8.6694 -0.8672 -0.8672 -0.5244 -0.5244 -0.4446 -0.4446 -0.3570 -0.3570 -0.2161 -0.2161 -0.0754 -0.0754 0.4032 0.4032 0.5717 0.5717 0.5986 0.5986 1.3464 1.3464 1.3920 1.3920 1.4640 1.4640 1.5289 1.5289 1.7322 1.7322 1.9287 1.9287 2.0587 2.0587 2.1105 2.1105 2.4123 2.4123 4.8284 4.8284 5.0864 5.0864 5.2275 5.2275 7.5124 7.5124 8.1463 8.1463 10.4028 10.4028 10.5391 10.5391 10.7332 10.7332 k = 0.4062 0.1624 0.6124 ( 9638 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5970 -30.5970 -25.3084 -25.3084 -25.3081 -25.3081 -11.1970 -11.1970 -10.7439 -10.7439 -10.6035 -10.6035 -10.5402 -10.5402 -10.5151 -10.5151 -10.4761 -10.4761 -8.9479 -8.9479 -8.9443 -8.9443 -8.6937 -8.6937 -8.6870 -8.6870 -8.6753 -8.6753 -8.6694 -8.6694 -0.8718 -0.8718 -0.5144 -0.5144 -0.4470 -0.4470 -0.3648 -0.3648 -0.2027 -0.2027 -0.0830 -0.0830 0.3944 0.3944 0.5741 0.5741 0.6020 0.6020 1.3530 1.3530 1.4008 1.4008 1.4583 1.4583 1.5108 1.5108 1.7282 1.7282 1.9430 1.9430 2.0757 2.0757 2.0915 2.0915 2.4202 2.4202 4.8195 4.8195 5.0965 5.0965 5.2229 5.2229 7.5089 7.5089 8.1525 8.1525 10.3869 10.3869 10.5263 10.5263 10.7247 10.7247 k = 0.3958 0.1804 0.6124 ( 9639 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5970 -30.5970 -25.3084 -25.3084 -25.3081 -25.3081 -11.1973 -11.1973 -10.7430 -10.7430 -10.6043 -10.6043 -10.5397 -10.5397 -10.5149 -10.5149 -10.4764 -10.4764 -8.9480 -8.9480 -8.9443 -8.9443 -8.6939 -8.6939 -8.6869 -8.6869 -8.6754 -8.6754 -8.6693 -8.6693 -0.8753 -0.8753 -0.5070 -0.5070 -0.4469 -0.4469 -0.3722 -0.3722 -0.1916 -0.1916 -0.0900 -0.0900 0.3880 0.3880 0.5758 0.5758 0.6044 0.6044 1.3587 1.3587 1.4096 1.4096 1.4539 1.4539 1.4947 1.4947 1.7252 1.7252 1.9565 1.9565 2.0738 2.0738 2.0889 2.0889 2.4258 2.4258 4.8129 4.8129 5.1045 5.1045 5.2189 5.2189 7.5062 7.5062 8.1572 8.1572 10.3754 10.3754 10.5169 10.5169 10.7183 10.7183 k = 0.3854 0.1985 0.6124 ( 9636 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5969 -30.5969 -25.3084 -25.3084 -25.3081 -25.3081 -11.1975 -11.1975 -10.7425 -10.7425 -10.6048 -10.6048 -10.5393 -10.5393 -10.5147 -10.5147 -10.4765 -10.4765 -8.9480 -8.9480 -8.9443 -8.9443 -8.6940 -8.6940 -8.6868 -8.6868 -8.6755 -8.6755 -8.6693 -8.6693 -0.8774 -0.8774 -0.5027 -0.5027 -0.4455 -0.4455 -0.3777 -0.3777 -0.1839 -0.1839 -0.0951 -0.0951 0.3841 0.3841 0.5769 0.5769 0.6059 0.6059 1.3626 1.3626 1.4167 1.4167 1.4516 1.4516 1.4823 1.4823 1.7233 1.7233 1.9672 1.9672 2.0612 2.0612 2.0965 2.0965 2.4292 2.4292 4.8089 4.8089 5.1097 5.1097 5.2162 5.2162 7.5046 7.5046 8.1601 8.1601 10.3684 10.3684 10.5112 10.5112 10.7143 10.7143 k = 0.3750 0.2165 0.6124 ( 9631 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5969 -30.5969 -25.3084 -25.3084 -25.3081 -25.3081 -11.1976 -11.1976 -10.7423 -10.7423 -10.6050 -10.6050 -10.5392 -10.5392 -10.5147 -10.5147 -10.4766 -10.4766 -8.9480 -8.9480 -8.9443 -8.9443 -8.6941 -8.6941 -8.6868 -8.6868 -8.6755 -8.6755 -8.6693 -8.6693 -0.8781 -0.8781 -0.5013 -0.5013 -0.4447 -0.4447 -0.3799 -0.3799 -0.1811 -0.1811 -0.0971 -0.0971 0.3828 0.3828 0.5772 0.5772 0.6064 0.6064 1.3640 1.3640 1.4196 1.4196 1.4513 1.4513 1.4771 1.4771 1.7227 1.7227 1.9715 1.9715 2.0562 2.0562 2.0991 2.0991 2.4304 2.4304 4.8076 4.8076 5.1115 5.1115 5.2152 5.2152 7.5040 7.5040 8.1611 8.1611 10.3660 10.3660 10.5093 10.5093 10.7129 10.7129 k = 0.3750 0.2165 0.6124 ( 9631 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5969 -30.5969 -25.3084 -25.3084 -25.3081 -25.3081 -11.1976 -11.1976 -10.7423 -10.7423 -10.6050 -10.6050 -10.5392 -10.5392 -10.5147 -10.5147 -10.4766 -10.4766 -8.9480 -8.9480 -8.9443 -8.9443 -8.6941 -8.6941 -8.6868 -8.6868 -8.6755 -8.6755 -8.6693 -8.6693 -0.8781 -0.8781 -0.5013 -0.5013 -0.4447 -0.4447 -0.3799 -0.3799 -0.1811 -0.1811 -0.0971 -0.0971 0.3828 0.3828 0.5772 0.5772 0.6064 0.6064 1.3640 1.3640 1.4196 1.4196 1.4513 1.4513 1.4771 1.4771 1.7227 1.7227 1.9715 1.9715 2.0562 2.0562 2.0991 2.0991 2.4304 2.4304 4.8076 4.8076 5.1115 5.1115 5.2152 5.2152 7.5040 7.5040 8.1611 8.1611 10.3660 10.3660 10.5093 10.5093 10.7129 10.7129 k = 0.3640 0.2101 0.5944 ( 9633 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5970 -30.5970 -25.3084 -25.3084 -25.3081 -25.3081 -11.1978 -11.1978 -10.7426 -10.7426 -10.6086 -10.6086 -10.5386 -10.5386 -10.5145 -10.5145 -10.4721 -10.4721 -8.9483 -8.9483 -8.9446 -8.9446 -8.6940 -8.6940 -8.6871 -8.6871 -8.6756 -8.6756 -8.6700 -8.6700 -0.8601 -0.8601 -0.5064 -0.5064 -0.4607 -0.4607 -0.3692 -0.3692 -0.1989 -0.1989 -0.1080 -0.1080 0.3760 0.3760 0.5665 0.5665 0.6225 0.6225 1.3730 1.3730 1.4222 1.4222 1.4654 1.4654 1.4990 1.4990 1.6822 1.6822 1.9906 1.9906 2.0815 2.0815 2.1043 2.1043 2.4090 2.4090 4.8240 4.8240 5.0980 5.0980 5.2034 5.2034 7.5385 7.5385 8.1392 8.1392 10.3818 10.3818 10.4576 10.4576 10.7182 10.7182 k = 0.3529 0.2038 0.5764 ( 9621 PWs) bands (ev): -57.2345 -57.2345 -33.0770 -33.0770 -30.5969 -30.5969 -30.5969 -30.5969 -25.3083 -25.3083 -25.3082 -25.3082 -11.1983 -11.1983 -10.7423 -10.7423 -10.6118 -10.6118 -10.5380 -10.5380 -10.5144 -10.5144 -10.4678 -10.4678 -8.9486 -8.9486 -8.9450 -8.9450 -8.6940 -8.6940 -8.6875 -8.6875 -8.6758 -8.6758 -8.6708 -8.6708 -0.8413 -0.8413 -0.5166 -0.5166 -0.4760 -0.4760 -0.3537 -0.3537 -0.2167 -0.2167 -0.1193 -0.1193 0.3687 0.3687 0.5527 0.5527 0.6394 0.6394 1.3797 1.3797 1.4244 1.4244 1.4813 1.4813 1.5221 1.5221 1.6470 1.6470 2.0103 2.0104 2.1062 2.1062 2.1109 2.1109 2.3872 2.3872 4.8396 4.8396 5.0837 5.0837 5.1911 5.1911 7.5743 7.5743 8.1178 8.1178 10.3831 10.3831 10.3932 10.3932 10.7442 10.7442 k = 0.3419 0.1974 0.5583 ( 9625 PWs) bands (ev): -57.2346 -57.2346 -33.0770 -33.0770 -30.5969 -30.5969 -30.5969 -30.5969 -25.3083 -25.3083 -25.3082 -25.3082 -11.1994 -11.1994 -10.7411 -10.7411 -10.6148 -10.6148 -10.5375 -10.5375 -10.5142 -10.5142 -10.4639 -10.4639 -8.9489 -8.9489 -8.9453 -8.9453 -8.6942 -8.6942 -8.6879 -8.6879 -8.6759 -8.6759 -8.6717 -8.6717 -0.8220 -0.8220 -0.5304 -0.5304 -0.4904 -0.4904 -0.3354 -0.3354 -0.2341 -0.2341 -0.1311 -0.1311 0.3611 0.3611 0.5377 0.5377 0.6549 0.6549 1.3828 1.3828 1.4268 1.4268 1.4969 1.4969 1.5426 1.5426 1.6237 1.6237 2.0308 2.0308 2.1155 2.1155 2.1333 2.1333 2.3654 2.3654 4.8542 4.8542 5.0687 5.0687 5.1782 5.1782 7.6112 7.6112 8.0973 8.0973 10.2983 10.2983 10.3992 10.3992 10.7779 10.7779 k = 0.3309 0.1910 0.5403 ( 9645 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5970 -30.5970 -25.3083 -25.3083 -25.3083 -25.3083 -11.2009 -11.2009 -10.7391 -10.7391 -10.6174 -10.6174 -10.5371 -10.5371 -10.5141 -10.5141 -10.4602 -10.4602 -8.9494 -8.9494 -8.9458 -8.9458 -8.6945 -8.6945 -8.6883 -8.6883 -8.6762 -8.6762 -8.6726 -8.6726 -0.8021 -0.8021 -0.5469 -0.5469 -0.5036 -0.5036 -0.3160 -0.3160 -0.2506 -0.2506 -0.1432 -0.1432 0.3532 0.3532 0.5219 0.5219 0.6684 0.6684 1.3807 1.3807 1.4296 1.4296 1.5088 1.5088 1.5566 1.5566 1.6221 1.6221 2.0518 2.0518 2.1219 2.1219 2.1589 2.1589 2.3441 2.3441 4.8675 4.8675 5.0532 5.0532 5.1649 5.1649 7.6488 7.6488 8.0781 8.0781 10.2085 10.2085 10.3991 10.3991 10.8136 10.8136 k = 0.3199 0.1847 0.5223 ( 9623 PWs) bands (ev): -57.2345 -57.2345 -33.0770 -33.0770 -30.5969 -30.5969 -30.5969 -30.5969 -25.3083 -25.3083 -25.3082 -25.3082 -11.2029 -11.2029 -10.7363 -10.7363 -10.6196 -10.6196 -10.5368 -10.5368 -10.5140 -10.5140 -10.4568 -10.4568 -8.9500 -8.9500 -8.9463 -8.9463 -8.6949 -8.6949 -8.6888 -8.6888 -8.6765 -8.6765 -8.6736 -8.6736 -0.7817 -0.7817 -0.5654 -0.5654 -0.5156 -0.5156 -0.2990 -0.2990 -0.2638 -0.2638 -0.1556 -0.1556 0.3450 0.3450 0.5056 0.5056 0.6794 0.6794 1.3714 1.3714 1.4329 1.4329 1.5146 1.5146 1.5701 1.5701 1.6407 1.6407 2.0732 2.0732 2.1284 2.1284 2.1843 2.1843 2.3236 2.3236 4.8793 4.8793 5.0372 5.0372 5.1512 5.1512 7.6870 7.6870 8.0605 8.0605 10.1158 10.1158 10.3926 10.3926 10.8481 10.8481 k = 0.3088 0.1783 0.5043 ( 9639 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5970 -30.5970 -25.3084 -25.3084 -25.3082 -25.3082 -11.2054 -11.2054 -10.7325 -10.7325 -10.6215 -10.6215 -10.5365 -10.5365 -10.5140 -10.5140 -10.4538 -10.4538 -8.9507 -8.9507 -8.9469 -8.9469 -8.6955 -8.6955 -8.6893 -8.6893 -8.6768 -8.6768 -8.6746 -8.6746 -0.7611 -0.7611 -0.5854 -0.5854 -0.5262 -0.5262 -0.2959 -0.2959 -0.2632 -0.2632 -0.1679 -0.1679 0.3366 0.3366 0.4890 0.4890 0.6878 0.6878 1.3551 1.3551 1.4371 1.4371 1.5198 1.5198 1.5888 1.5888 1.6678 1.6678 2.0949 2.0949 2.1351 2.1351 2.2091 2.2091 2.3048 2.3048 4.8893 4.8893 5.0210 5.0210 5.1372 5.1372 7.7254 7.7254 8.0448 8.0448 10.0214 10.0214 10.3795 10.3795 10.8793 10.8793 k = 0.2978 0.1719 0.4863 ( 9647 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5970 -30.5970 -25.3084 -25.3084 -25.3081 -25.3081 -11.2084 -11.2084 -10.7279 -10.7279 -10.6230 -10.6230 -10.5361 -10.5361 -10.5140 -10.5140 -10.4511 -10.4511 -8.9515 -8.9515 -8.9475 -8.9475 -8.6962 -8.6962 -8.6898 -8.6898 -8.6774 -8.6774 -8.6757 -8.6757 -0.7402 -0.7402 -0.6067 -0.6067 -0.5353 -0.5353 -0.3073 -0.3073 -0.2495 -0.2495 -0.1797 -0.1797 0.3280 0.3280 0.4722 0.4722 0.6934 0.6934 1.3350 1.3350 1.4427 1.4427 1.5288 1.5288 1.6106 1.6106 1.6981 1.6981 2.1167 2.1167 2.1419 2.1419 2.2328 2.2328 2.2888 2.2888 4.8973 4.8973 5.0047 5.0047 5.1230 5.1230 7.7638 7.7638 8.0311 8.0311 9.9258 9.9258 10.3598 10.3598 10.9041 10.9041 k = 0.2868 0.1656 0.4683 ( 9635 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5970 -30.5970 -25.3085 -25.3085 -25.3080 -25.3080 -11.2119 -11.2119 -10.7224 -10.7224 -10.6241 -10.6241 -10.5358 -10.5358 -10.5140 -10.5140 -10.4488 -10.4488 -8.9524 -8.9524 -8.9481 -8.9481 -8.6971 -8.6971 -8.6904 -8.6904 -8.6781 -8.6781 -8.6767 -8.6767 -0.7192 -0.7192 -0.6289 -0.6289 -0.5428 -0.5428 -0.3212 -0.3212 -0.2365 -0.2365 -0.1897 -0.1897 0.3195 0.3195 0.4552 0.4552 0.6960 0.6960 1.3147 1.3147 1.4497 1.4497 1.5416 1.5416 1.6334 1.6334 1.7297 1.7297 2.1379 2.1379 2.1492 2.1492 2.2516 2.2516 2.2798 2.2798 4.9029 4.9029 4.9886 4.9886 5.1087 5.1087 7.8019 7.8019 8.0197 8.0197 9.8297 9.8297 10.3338 10.3338 10.9021 10.9021 k = 0.2757 0.1592 0.4503 ( 9639 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5970 -30.5970 -25.3085 -25.3085 -25.3080 -25.3080 -11.2160 -11.2160 -10.7161 -10.7161 -10.6249 -10.6249 -10.5354 -10.5354 -10.5140 -10.5140 -10.4468 -10.4468 -8.9535 -8.9535 -8.9488 -8.9488 -8.6981 -8.6981 -8.6910 -8.6910 -8.6791 -8.6791 -8.6776 -8.6776 -0.6987 -0.6987 -0.6515 -0.6515 -0.5486 -0.5486 -0.3349 -0.3349 -0.2308 -0.2308 -0.1945 -0.1945 0.3109 0.3109 0.4383 0.4383 0.6957 0.6957 1.2971 1.2971 1.4580 1.4580 1.5575 1.5575 1.6560 1.6560 1.7618 1.7618 2.1524 2.1524 2.1626 2.1626 2.2540 2.2540 2.2903 2.2903 4.9059 4.9059 4.9730 4.9730 5.0943 5.0943 7.8396 7.8396 8.0108 8.0108 9.7333 9.7333 10.3019 10.3019 10.8234 10.8234 k = 0.2647 0.1528 0.4323 ( 9633 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5969 -30.5969 -25.3086 -25.3086 -25.3079 -25.3079 -11.2204 -11.2204 -10.7090 -10.7090 -10.6252 -10.6252 -10.5350 -10.5350 -10.5139 -10.5139 -10.4453 -10.4453 -8.9546 -8.9546 -8.9495 -8.9495 -8.6992 -8.6992 -8.6915 -8.6915 -8.6805 -8.6805 -8.6784 -8.6784 -0.6855 -0.6855 -0.6673 -0.6673 -0.5528 -0.5528 -0.3480 -0.3480 -0.2355 -0.2355 -0.1920 -0.1920 0.3024 0.3024 0.4214 0.4214 0.6923 0.6923 1.2840 1.2840 1.4674 1.4674 1.5758 1.5758 1.6777 1.6777 1.7940 1.7940 2.1593 2.1593 2.1822 2.1822 2.2504 2.2504 2.3110 2.3110 4.9056 4.9056 4.9584 4.9584 5.0801 5.0801 7.8767 7.8767 8.0045 8.0045 9.6372 9.6372 10.2647 10.2647 10.7457 10.7457 k = 0.2537 0.1465 0.4143 ( 9645 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5970 -30.5970 -25.3087 -25.3087 -25.3079 -25.3079 -11.2252 -11.2252 -10.7012 -10.7012 -10.6252 -10.6252 -10.5346 -10.5346 -10.5139 -10.5139 -10.4441 -10.4441 -8.9559 -8.9559 -8.9503 -8.9503 -8.7004 -8.7004 -8.6922 -8.6922 -8.6821 -8.6821 -8.6792 -8.6792 -0.7040 -0.7040 -0.6521 -0.6521 -0.5553 -0.5553 -0.3602 -0.3602 -0.2457 -0.2457 -0.1875 -0.1875 0.2940 0.2940 0.4047 0.4047 0.6860 0.6860 1.2764 1.2764 1.4778 1.4778 1.5960 1.5960 1.6977 1.6977 1.8260 1.8260 2.1651 2.1651 2.2002 2.2002 2.2516 2.2516 2.3328 2.3328 4.9015 4.9015 4.9454 4.9454 5.0660 5.0660 7.9129 7.9129 8.0009 8.0009 9.5415 9.5415 10.2228 10.2228 10.6694 10.6694 k = 0.2426 0.1401 0.3962 ( 9631 PWs) bands (ev): -57.2346 -57.2346 -33.0770 -33.0770 -30.5970 -30.5970 -30.5969 -30.5969 -25.3087 -25.3087 -25.3078 -25.3078 -11.2304 -11.2304 -10.6929 -10.6929 -10.6247 -10.6247 -10.5342 -10.5342 -10.5137 -10.5137 -10.4433 -10.4433 -8.9574 -8.9574 -8.9511 -8.9511 -8.7017 -8.7017 -8.6928 -8.6928 -8.6838 -8.6838 -8.6800 -8.6800 -0.7287 -0.7287 -0.6313 -0.6313 -0.5560 -0.5560 -0.3715 -0.3715 -0.2578 -0.2578 -0.1850 -0.1850 0.2857 0.2857 0.3882 0.3882 0.6767 0.6767 1.2749 1.2749 1.4892 1.4892 1.6180 1.6180 1.7153 1.7153 1.8576 1.8576 2.1705 2.1705 2.2147 2.2147 2.2605 2.2605 2.3543 2.3543 4.8934 4.8934 4.9342 4.9342 5.0522 5.0522 7.9482 7.9482 8.0000 8.0000 9.4466 9.4466 10.1769 10.1769 10.5947 10.5947 k = 0.2316 0.1337 0.3782 ( 9637 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5970 -30.5970 -25.3088 -25.3088 -25.3078 -25.3078 -11.2358 -11.2358 -10.6840 -10.6840 -10.6239 -10.6239 -10.5337 -10.5337 -10.5135 -10.5135 -10.4430 -10.4430 -8.9589 -8.9589 -8.9520 -8.9520 -8.7031 -8.7031 -8.6934 -8.6934 -8.6857 -8.6857 -8.6809 -8.6809 -0.7543 -0.7543 -0.6102 -0.6102 -0.5550 -0.5550 -0.3818 -0.3818 -0.2704 -0.2704 -0.1857 -0.1857 0.2776 0.2776 0.3721 0.3721 0.6646 0.6646 1.2797 1.2797 1.5013 1.5013 1.6416 1.6416 1.7302 1.7302 1.8886 1.8886 2.1762 2.1762 2.2263 2.2263 2.2764 2.2764 2.3752 2.3752 4.8821 4.8821 4.9241 4.9241 5.0387 5.0387 7.9823 7.9823 8.0019 8.0019 9.3527 9.3527 10.1278 10.1278 10.5219 10.5219 k = 0.2206 0.1274 0.3602 ( 9631 PWs) bands (ev): -57.2346 -57.2346 -33.0770 -33.0770 -30.5970 -30.5970 -30.5969 -30.5969 -25.3088 -25.3088 -25.3077 -25.3077 -11.2415 -11.2415 -10.6747 -10.6747 -10.6227 -10.6227 -10.5333 -10.5333 -10.5131 -10.5131 -10.4430 -10.4430 -8.9606 -8.9606 -8.9529 -8.9529 -8.7046 -8.7046 -8.6940 -8.6940 -8.6877 -8.6877 -8.6819 -8.6819 -0.7803 -0.7803 -0.5891 -0.5891 -0.5521 -0.5521 -0.3912 -0.3912 -0.2831 -0.2831 -0.1899 -0.1899 0.2697 0.2697 0.3563 0.3563 0.6497 0.6497 1.2905 1.2905 1.5141 1.5141 1.6665 1.6665 1.7420 1.7420 1.9188 1.9188 2.1826 2.1826 2.2378 2.2378 2.2962 2.2962 2.3954 2.3954 4.8688 4.8688 4.9141 4.9141 5.0255 5.0255 8.0065 8.0065 8.0153 8.0153 9.2602 9.2602 10.0761 10.0761 10.4511 10.4511 k = 0.2096 0.1210 0.3422 ( 9615 PWs) bands (ev): -57.2345 -57.2345 -33.0770 -33.0770 -30.5969 -30.5969 -30.5969 -30.5969 -25.3089 -25.3089 -25.3077 -25.3077 -11.2473 -11.2473 -10.6652 -10.6652 -10.6212 -10.6212 -10.5328 -10.5328 -10.5125 -10.5125 -10.4434 -10.4434 -8.9623 -8.9623 -8.9538 -8.9538 -8.7061 -8.7061 -8.6947 -8.6947 -8.6898 -8.6898 -8.6829 -8.6829 -0.8066 -0.8066 -0.5685 -0.5685 -0.5473 -0.5473 -0.3996 -0.3996 -0.2957 -0.2957 -0.1972 -0.1972 0.2619 0.2619 0.3410 0.3410 0.6321 0.6321 1.3069 1.3069 1.5275 1.5275 1.6925 1.6925 1.7511 1.7511 1.9481 1.9481 2.1896 2.1896 2.2510 2.2510 2.3176 2.3176 2.4148 2.4148 4.8547 4.8547 4.9033 4.9033 5.0126 5.0126 8.0140 8.0140 8.0467 8.0467 9.1694 9.1694 10.0224 10.0224 10.3827 10.3827 k = 0.1985 0.1146 0.3242 ( 9625 PWs) bands (ev): -57.2346 -57.2346 -33.0770 -33.0770 -30.5969 -30.5969 -30.5969 -30.5969 -25.3089 -25.3089 -25.3076 -25.3076 -11.2532 -11.2532 -10.6555 -10.6555 -10.6192 -10.6192 -10.5323 -10.5323 -10.5117 -10.5117 -10.4442 -10.4442 -8.9641 -8.9641 -8.9547 -8.9547 -8.7076 -8.7076 -8.6955 -8.6955 -8.6920 -8.6920 -8.6841 -8.6841 -0.8331 -0.8331 -0.5493 -0.5493 -0.5396 -0.5396 -0.4070 -0.4070 -0.3080 -0.3080 -0.2074 -0.2074 0.2544 0.2544 0.3262 0.3262 0.6122 0.6122 1.3283 1.3283 1.5413 1.5413 1.7189 1.7189 1.7583 1.7583 1.9765 1.9765 2.1972 2.1972 2.2666 2.2666 2.3398 2.3398 2.4334 2.4334 4.8404 4.8404 4.8915 4.8915 4.9996 4.9996 8.0240 8.0240 8.0767 8.0767 9.0805 9.0805 9.9676 9.9676 10.3167 10.3167 k = 0.1875 0.1083 0.3062 ( 9625 PWs) bands (ev): -57.2346 -57.2346 -33.0770 -33.0770 -30.5969 -30.5969 -30.5969 -30.5969 -25.3090 -25.3090 -25.3076 -25.3076 -11.2591 -11.2591 -10.6457 -10.6457 -10.6170 -10.6170 -10.5319 -10.5319 -10.5108 -10.5108 -10.4454 -10.4454 -8.9660 -8.9660 -8.9556 -8.9556 -8.7092 -8.7092 -8.6965 -8.6965 -8.6939 -8.6939 -8.6853 -8.6853 -0.8595 -0.8595 -0.5362 -0.5362 -0.5247 -0.5247 -0.4136 -0.4136 -0.3199 -0.3199 -0.2199 -0.2199 0.2470 0.2470 0.3119 0.3119 0.5899 0.5899 1.3536 1.3536 1.5554 1.5554 1.7421 1.7421 1.7677 1.7677 2.0038 2.0038 2.2050 2.2050 2.2847 2.2847 2.3620 2.3620 2.4510 2.4510 4.8261 4.8261 4.8786 4.8786 4.9866 4.9866 8.0366 8.0366 8.1050 8.1050 8.9938 8.9938 9.9122 9.9122 10.2534 10.2534 k = 0.1765 0.1019 0.2882 ( 9613 PWs) bands (ev): -57.2345 -57.2345 -33.0770 -33.0770 -30.5969 -30.5969 -30.5969 -30.5969 -25.3090 -25.3090 -25.3075 -25.3075 -11.2650 -11.2650 -10.6360 -10.6360 -10.6143 -10.6143 -10.5314 -10.5314 -10.5097 -10.5097 -10.4470 -10.4470 -8.9679 -8.9679 -8.9566 -8.9566 -8.7107 -8.7107 -8.6981 -8.6981 -8.6953 -8.6953 -8.6865 -8.6865 -0.8857 -0.8857 -0.5260 -0.5260 -0.5059 -0.5059 -0.4193 -0.4193 -0.3313 -0.3313 -0.2340 -0.2340 0.2398 0.2398 0.2982 0.2982 0.5656 0.5656 1.3821 1.3821 1.5696 1.5696 1.7526 1.7526 1.7889 1.7889 2.0299 2.0299 2.2127 2.2127 2.3050 2.3050 2.3842 2.3842 2.4678 2.4678 4.8122 4.8122 4.8649 4.8649 4.9733 4.9733 8.0515 8.0515 8.1318 8.1318 8.9098 8.9098 9.8567 9.8567 10.1928 10.1928 k = 0.1654 0.0955 0.2702 ( 9609 PWs) bands (ev): -57.2345 -57.2345 -33.0770 -33.0770 -30.5969 -30.5969 -30.5969 -30.5969 -25.3091 -25.3091 -25.3075 -25.3075 -11.2708 -11.2708 -10.6265 -10.6265 -10.6114 -10.6114 -10.5308 -10.5308 -10.5084 -10.5084 -10.4489 -10.4489 -8.9699 -8.9699 -8.9575 -8.9575 -8.7123 -8.7123 -8.7003 -8.7003 -8.6962 -8.6962 -8.6878 -8.6878 -0.9116 -0.9116 -0.5148 -0.5148 -0.4872 -0.4872 -0.4242 -0.4242 -0.3422 -0.3422 -0.2492 -0.2492 0.2329 0.2329 0.2851 0.2851 0.5395 0.5395 1.4127 1.4127 1.5839 1.5839 1.7547 1.7547 1.8183 1.8183 2.0548 2.0548 2.2203 2.2203 2.3269 2.3269 2.4060 2.4060 2.4837 2.4837 4.7987 4.7987 4.8505 4.8505 4.9598 4.9598 8.0685 8.0685 8.1568 8.1568 8.8286 8.8286 9.8019 9.8019 10.1352 10.1352 k = 0.1544 0.0891 0.2522 ( 9607 PWs) bands (ev): -57.2345 -57.2345 -33.0770 -33.0770 -30.5969 -30.5969 -30.5969 -30.5969 -25.3091 -25.3091 -25.3074 -25.3074 -11.2765 -11.2765 -10.6174 -10.6174 -10.6081 -10.6081 -10.5302 -10.5302 -10.5069 -10.5069 -10.4511 -10.4511 -8.9719 -8.9719 -8.9585 -8.9585 -8.7138 -8.7138 -8.7027 -8.7027 -8.6969 -8.6969 -8.6891 -8.6891 -0.9369 -0.9369 -0.5024 -0.5024 -0.4693 -0.4693 -0.4283 -0.4283 -0.3523 -0.3523 -0.2649 -0.2649 0.2261 0.2261 0.2727 0.2727 0.5119 0.5119 1.4445 1.4445 1.5980 1.5980 1.7541 1.7541 1.8503 1.8503 2.0784 2.0784 2.2277 2.2277 2.3499 2.3499 2.4275 2.4275 2.4986 2.4986 4.7858 4.7858 4.8358 4.8358 4.9459 4.9459 8.0875 8.0875 8.1801 8.1801 8.7506 8.7506 9.7481 9.7481 10.0808 10.0808 k = 0.1434 0.0828 0.2341 ( 9619 PWs) bands (ev): -57.2345 -57.2345 -33.0770 -33.0770 -30.5969 -30.5969 -30.5969 -30.5969 -25.3092 -25.3092 -25.3074 -25.3074 -11.2820 -11.2820 -10.6090 -10.6090 -10.6044 -10.6044 -10.5295 -10.5295 -10.5053 -10.5053 -10.4535 -10.4535 -8.9739 -8.9739 -8.9594 -8.9594 -8.7153 -8.7153 -8.7053 -8.7053 -8.6975 -8.6975 -8.6904 -8.6904 -0.9616 -0.9616 -0.4887 -0.4887 -0.4527 -0.4527 -0.4317 -0.4317 -0.3616 -0.3616 -0.2804 -0.2804 0.2196 0.2196 0.2611 0.2611 0.4830 0.4830 1.4765 1.4765 1.6119 1.6119 1.7525 1.7525 1.8834 1.8834 2.1008 2.1008 2.2349 2.2349 2.3732 2.3732 2.4483 2.4483 2.5127 2.5127 4.7734 4.7734 4.8208 4.8208 4.9317 4.9317 8.1080 8.1080 8.2015 8.2015 8.6762 8.6762 9.6959 9.6959 10.0295 10.0295 k = 0.1324 0.0764 0.2161 ( 9611 PWs) bands (ev): -57.2345 -57.2345 -33.0770 -33.0770 -30.5969 -30.5969 -30.5969 -30.5969 -25.3092 -25.3092 -25.3074 -25.3074 -11.2873 -11.2873 -10.6022 -10.6022 -10.5992 -10.5992 -10.5287 -10.5287 -10.5035 -10.5035 -10.4563 -10.4563 -8.9758 -8.9758 -8.9604 -8.9604 -8.7167 -8.7167 -8.7078 -8.7078 -8.6980 -8.6980 -8.6917 -8.6917 -0.9854 -0.9854 -0.4739 -0.4739 -0.4388 -0.4388 -0.4337 -0.4337 -0.3695 -0.3695 -0.2952 -0.2952 0.2133 0.2133 0.2502 0.2502 0.4531 0.4531 1.5080 1.5080 1.6253 1.6253 1.7504 1.7504 1.9171 1.9171 2.1220 2.1220 2.2419 2.2419 2.3964 2.3964 2.4685 2.4685 2.5259 2.5259 4.7617 4.7617 4.8057 4.8057 4.9174 4.9174 8.1299 8.1299 8.2212 8.2212 8.6056 8.6056 9.6457 9.6457 9.9816 9.9816 k = 0.1213 0.0700 0.1981 ( 9605 PWs) bands (ev): -57.2345 -57.2345 -33.0770 -33.0770 -30.5969 -30.5969 -30.5969 -30.5969 -25.3093 -25.3093 -25.3073 -25.3073 -11.2923 -11.2923 -10.5977 -10.5977 -10.5924 -10.5924 -10.5278 -10.5278 -10.5016 -10.5016 -10.4592 -10.4592 -8.9777 -8.9777 -8.9612 -8.9612 -8.7181 -8.7181 -8.7102 -8.7102 -8.6985 -8.6985 -8.6929 -8.6929 -1.0081 -1.0081 -0.4584 -0.4584 -0.4375 -0.4375 -0.4251 -0.4251 -0.3755 -0.3755 -0.3087 -0.3087 0.2072 0.2072 0.2402 0.2402 0.4227 0.4227 1.5382 1.5382 1.6382 1.6382 1.7482 1.7482 1.9507 1.9507 2.1421 2.1421 2.2488 2.2488 2.4187 2.4187 2.4879 2.4879 2.5383 2.5383 4.7507 4.7507 4.7909 4.7909 4.9031 4.9031 8.1526 8.1526 8.2390 8.2390 8.5392 8.5392 9.5980 9.5980 9.9372 9.9372 k = 0.1103 0.0637 0.1801 ( 9611 PWs) bands (ev): -57.2345 -57.2345 -33.0770 -33.0770 -30.5969 -30.5969 -30.5969 -30.5969 -25.3093 -25.3093 -25.3073 -25.3073 -11.2970 -11.2970 -10.5934 -10.5934 -10.5859 -10.5859 -10.5267 -10.5267 -10.4996 -10.4996 -10.4624 -10.4624 -8.9796 -8.9796 -8.9621 -8.9621 -8.7193 -8.7193 -8.7126 -8.7126 -8.6989 -8.6989 -8.6942 -8.6942 -1.0296 -1.0296 -0.4441 -0.4441 -0.4380 -0.4380 -0.4169 -0.4169 -0.3784 -0.3784 -0.3199 -0.3199 0.2014 0.2014 0.2311 0.2311 0.3919 0.3919 1.5666 1.5666 1.6503 1.6503 1.7462 1.7462 1.9834 1.9834 2.1614 2.1614 2.2555 2.2555 2.4399 2.4399 2.5064 2.5064 2.5497 2.5497 4.7405 4.7405 4.7763 4.7763 4.8890 4.8890 8.1758 8.1758 8.2550 8.2550 8.4774 8.4774 9.5531 9.5531 9.8964 9.8964 k = 0.0993 0.0573 0.1621 ( 9601 PWs) bands (ev): -57.2345 -57.2345 -33.0770 -33.0770 -30.5969 -30.5969 -30.5969 -30.5969 -25.3094 -25.3094 -25.3073 -25.3073 -11.3013 -11.3013 -10.5891 -10.5891 -10.5801 -10.5801 -10.5255 -10.5255 -10.4976 -10.4976 -10.4656 -10.4656 -8.9813 -8.9813 -8.9629 -8.9629 -8.7205 -8.7205 -8.7149 -8.7149 -8.6993 -8.6993 -8.6954 -8.6954 -1.0496 -1.0496 -0.4421 -0.4421 -0.4290 -0.4290 -0.4105 -0.4105 -0.3785 -0.3785 -0.3276 -0.3276 0.1958 0.1958 0.2229 0.2229 0.3613 0.3613 1.5928 1.5928 1.6615 1.6615 1.7447 1.7447 2.0146 2.0146 2.1799 2.1799 2.2619 2.2619 2.4594 2.4594 2.5240 2.5240 2.5603 2.5603 4.7309 4.7309 4.7622 4.7622 4.8754 4.8754 8.1990 8.1990 8.2691 8.2691 8.4204 8.4204 9.5114 9.5114 9.8592 9.8592 k = 0.0882 0.0509 0.1441 ( 9607 PWs) bands (ev): -57.2345 -57.2345 -33.0770 -33.0770 -30.5969 -30.5969 -30.5969 -30.5969 -25.3094 -25.3094 -25.3072 -25.3072 -11.3053 -11.3053 -10.5848 -10.5848 -10.5752 -10.5752 -10.5243 -10.5243 -10.4955 -10.4955 -10.4688 -10.4688 -8.9830 -8.9830 -8.9637 -8.9637 -8.7216 -8.7216 -8.7170 -8.7170 -8.6997 -8.6997 -8.6965 -8.6965 -1.0680 -1.0680 -0.4434 -0.4434 -0.4260 -0.4260 -0.3983 -0.3983 -0.3786 -0.3786 -0.3303 -0.3303 0.1905 0.1905 0.2156 0.2156 0.3313 0.3313 1.6163 1.6163 1.6715 1.6715 1.7440 1.7440 2.0432 2.0432 2.1979 2.1979 2.2682 2.2682 2.4770 2.4770 2.5404 2.5404 2.5700 2.5700 4.7222 4.7222 4.7486 4.7486 4.8625 4.8625 8.2218 8.2218 8.2812 8.2812 8.3688 8.3688 9.4732 9.4732 9.8258 9.8258 k = 0.0772 0.0446 0.1261 ( 9619 PWs) bands (ev): -57.2345 -57.2345 -33.0770 -33.0770 -30.5969 -30.5969 -30.5969 -30.5969 -25.3094 -25.3094 -25.3072 -25.3072 -11.3089 -11.3089 -10.5805 -10.5805 -10.5711 -10.5711 -10.5232 -10.5232 -10.4935 -10.4935 -10.4720 -10.4720 -8.9845 -8.9845 -8.9643 -8.9643 -8.7226 -8.7226 -8.7190 -8.7190 -8.7000 -8.7000 -8.6975 -8.6975 -1.0847 -1.0847 -0.4448 -0.4448 -0.4289 -0.4289 -0.3826 -0.3826 -0.3801 -0.3801 -0.3280 -0.3280 0.1854 0.1854 0.2093 0.2093 0.3024 0.3024 1.6370 1.6370 1.6801 1.6801 1.7442 1.7442 2.0686 2.0686 2.2157 2.2157 2.2741 2.2741 2.4926 2.4926 2.5555 2.5555 2.5789 2.5789 4.7144 4.7144 4.7359 4.7359 4.8506 4.8506 8.2437 8.2437 8.2899 8.2899 8.3244 8.3244 9.4388 9.4388 9.7962 9.7962 k = 0.0662 0.0382 0.1081 ( 9625 PWs) bands (ev): -57.2346 -57.2346 -33.0770 -33.0770 -30.5969 -30.5969 -30.5969 -30.5969 -25.3095 -25.3095 -25.3072 -25.3072 -11.3120 -11.3120 -10.5763 -10.5763 -10.5679 -10.5679 -10.5222 -10.5222 -10.4914 -10.4914 -10.4750 -10.4750 -8.9859 -8.9859 -8.9650 -8.9650 -8.7235 -8.7235 -8.7208 -8.7208 -8.7003 -8.7003 -8.6984 -8.6984 -1.0995 -1.0995 -0.4461 -0.4461 -0.4334 -0.4334 -0.3852 -0.3852 -0.3642 -0.3642 -0.3228 -0.3228 0.1806 0.1806 0.2040 0.2040 0.2751 0.2751 1.6546 1.6546 1.6870 1.6870 1.7455 1.7455 2.0902 2.0902 2.2331 2.2331 2.2795 2.2795 2.5059 2.5059 2.5692 2.5692 2.5868 2.5868 4.7074 4.7074 4.7241 4.7241 4.8399 4.8399 8.2640 8.2640 8.2756 8.2756 8.3069 8.3069 9.4085 9.4085 9.7704 9.7704 k = 0.0551 0.0318 0.0901 ( 9625 PWs) bands (ev): -57.2346 -57.2346 -33.0770 -33.0770 -30.5969 -30.5969 -30.5969 -30.5969 -25.3095 -25.3095 -25.3072 -25.3072 -11.3147 -11.3147 -10.5722 -10.5722 -10.5653 -10.5653 -10.5215 -10.5215 -10.4895 -10.4895 -10.4777 -10.4777 -8.9870 -8.9870 -8.9655 -8.9655 -8.7243 -8.7243 -8.7223 -8.7223 -8.7005 -8.7005 -8.6992 -8.6992 -1.1122 -1.1122 -0.4473 -0.4473 -0.4380 -0.4380 -0.3893 -0.3893 -0.3473 -0.3473 -0.3167 -0.3167 0.1760 0.1760 0.1996 0.1996 0.2503 0.2503 1.6692 1.6692 1.6921 1.6921 1.7479 1.7479 2.1077 2.1077 2.2498 2.2498 2.2844 2.2844 2.5170 2.5170 2.5813 2.5813 2.5937 2.5937 4.7014 4.7014 4.7136 4.7136 4.8306 4.8306 8.2429 8.2429 8.2824 8.2824 8.3122 8.3122 9.3824 9.3824 9.7486 9.7486 k = 0.0441 0.0255 0.0720 ( 9603 PWs) bands (ev): -57.2345 -57.2345 -33.0770 -33.0770 -30.5969 -30.5969 -30.5969 -30.5969 -25.3095 -25.3095 -25.3071 -25.3071 -11.3169 -11.3169 -10.5684 -10.5684 -10.5634 -10.5634 -10.5212 -10.5212 -10.4878 -10.4878 -10.4801 -10.4801 -8.9880 -8.9880 -8.9659 -8.9659 -8.7249 -8.7249 -8.7236 -8.7236 -8.7007 -8.7007 -8.6999 -8.6999 -1.1228 -1.1228 -0.4483 -0.4483 -0.4422 -0.4422 -0.3929 -0.3929 -0.3318 -0.3318 -0.3110 -0.3110 0.1717 0.1717 0.1960 0.1960 0.2287 0.2287 1.6807 1.6807 1.6957 1.6957 1.7510 1.7510 2.1212 2.1212 2.2651 2.2651 2.2886 2.2886 2.5259 2.5259 2.5914 2.5914 2.5995 2.5995 4.6963 4.6963 4.7045 4.7045 4.8228 4.8228 8.2143 8.2143 8.2982 8.2982 8.3179 8.3179 9.3609 9.3609 9.7307 9.7307 k = 0.0331 0.0191 0.0540 ( 9611 PWs) bands (ev): -57.2345 -57.2345 -33.0770 -33.0770 -30.5969 -30.5969 -30.5969 -30.5969 -25.3095 -25.3095 -25.3071 -25.3071 -11.3187 -11.3187 -10.5651 -10.5651 -10.5619 -10.5619 -10.5212 -10.5212 -10.4864 -10.4864 -10.4820 -10.4820 -8.9888 -8.9888 -8.9663 -8.9663 -8.7253 -8.7253 -8.7246 -8.7246 -8.7009 -8.7009 -8.7004 -8.7004 -1.1312 -1.1312 -0.4493 -0.4493 -0.4457 -0.4457 -0.3958 -0.3958 -0.3185 -0.3185 -0.3061 -0.3061 0.1674 0.1674 0.1933 0.1933 0.2113 0.2113 1.6894 1.6894 1.6980 1.6980 1.7544 1.7544 2.1312 2.1312 2.2782 2.2782 2.2920 2.2920 2.5327 2.5327 2.5995 2.5995 2.6041 2.6041 4.6923 4.6923 4.6971 4.6971 4.8167 4.8167 8.1917 8.1917 8.3111 8.3111 8.3224 8.3224 9.3439 9.3439 9.7168 9.7168 k = 0.0221 0.0127 0.0360 ( 9621 PWs) bands (ev): -57.2345 -57.2345 -33.0770 -33.0770 -30.5970 -30.5970 -30.5969 -30.5969 -25.3095 -25.3095 -25.3071 -25.3071 -11.3200 -11.3200 -10.5625 -10.5625 -10.5610 -10.5610 -10.5214 -10.5214 -10.4853 -10.4853 -10.4833 -10.4833 -8.9894 -8.9894 -8.9665 -8.9665 -8.7257 -8.7257 -8.7254 -8.7254 -8.7010 -8.7010 -8.7008 -8.7008 -1.1372 -1.1372 -0.4500 -0.4500 -0.4484 -0.4484 -0.3977 -0.3977 -0.3082 -0.3082 -0.3024 -0.3024 0.1634 0.1634 0.1914 0.1914 0.1991 0.1991 1.6955 1.6955 1.6993 1.6993 1.7573 1.7573 2.1379 2.1379 2.2881 2.2881 2.2945 2.2945 2.5375 2.5375 2.6055 2.6055 2.6075 2.6075 4.6894 4.6894 4.6916 4.6916 4.8124 4.8124 8.1754 8.1754 8.3206 8.3206 8.3257 8.3257 9.3317 9.3317 9.7068 9.7069 k = 0.0110 0.0064 0.0180 ( 9581 PWs) bands (ev): -57.2344 -57.2344 -33.0770 -33.0770 -30.5969 -30.5969 -30.5969 -30.5969 -25.3095 -25.3095 -25.3071 -25.3071 -11.3207 -11.3207 -10.5608 -10.5608 -10.5604 -10.5604 -10.5216 -10.5216 -10.4847 -10.4847 -10.4842 -10.4842 -8.9897 -8.9897 -8.9666 -8.9666 -8.7259 -8.7259 -8.7258 -8.7258 -8.7010 -8.7010 -8.7010 -8.7010 -1.1408 -1.1408 -0.4504 -0.4504 -0.4500 -0.4500 -0.3989 -0.3989 -0.3016 -0.3016 -0.3001 -0.3001 0.1602 0.1602 0.1903 0.1903 0.1921 0.1921 1.6990 1.6990 1.7000 1.7000 1.7592 1.7592 2.1418 2.1418 2.2944 2.2944 2.2960 2.2960 2.5403 2.5403 2.6091 2.6091 2.6096 2.6096 4.6877 4.6877 4.6882 4.6882 4.8097 4.8097 8.1656 8.1656 8.3264 8.3264 8.3277 8.3277 9.3243 9.3243 9.7009 9.7010 k = 0.0000 0.0000 0.0000 ( 9577 PWs) bands (ev): -57.2344 -57.2344 -33.0770 -33.0770 -30.5969 -30.5969 -30.5969 -30.5969 -25.3095 -25.3095 -25.3071 -25.3071 -11.3210 -11.3210 -10.5602 -10.5602 -10.5602 -10.5602 -10.5217 -10.5217 -10.4844 -10.4844 -10.4844 -10.4844 -8.9898 -8.9898 -8.9667 -8.9667 -8.7260 -8.7260 -8.7260 -8.7260 -8.7010 -8.7010 -8.7010 -8.7010 -1.1420 -1.1420 -0.4506 -0.4506 -0.4506 -0.4506 -0.3993 -0.3993 -0.2994 -0.2994 -0.2994 -0.2994 0.1590 0.1590 0.1899 0.1899 0.1899 0.1899 1.7002 1.7002 1.7002 1.7002 1.7599 1.7599 2.1431 2.1431 2.2965 2.2965 2.2965 2.2965 2.5413 2.5413 2.6103 2.6103 2.6103 2.6103 4.6871 4.6871 4.6871 4.6871 4.8088 4.8088 8.1623 8.1623 8.3284 8.3284 8.3284 8.3284 9.3219 9.3219 9.6989 9.6989 k = 0.0000 0.0000 0.0000 ( 9577 PWs) bands (ev): -57.2344 -57.2344 -33.0770 -33.0770 -30.5969 -30.5969 -30.5969 -30.5969 -25.3095 -25.3095 -25.3071 -25.3071 -11.3210 -11.3210 -10.5602 -10.5602 -10.5602 -10.5602 -10.5217 -10.5217 -10.4844 -10.4844 -10.4844 -10.4844 -8.9898 -8.9898 -8.9667 -8.9667 -8.7260 -8.7260 -8.7260 -8.7260 -8.7010 -8.7010 -8.7010 -8.7010 -1.1420 -1.1420 -0.4506 -0.4506 -0.4506 -0.4506 -0.3993 -0.3993 -0.2994 -0.2994 -0.2994 -0.2994 0.1590 0.1590 0.1899 0.1899 0.1899 0.1899 1.7002 1.7002 1.7002 1.7002 1.7599 1.7599 2.1431 2.1431 2.2965 2.2965 2.2965 2.2965 2.5413 2.5413 2.6103 2.6103 2.6103 2.6103 4.6871 4.6871 4.6871 4.6871 4.8088 4.8088 8.1623 8.1623 8.3284 8.3284 8.3284 8.3284 9.3219 9.3219 9.6989 9.6989 k = 0.0179 0.0103 0.0073 ( 9583 PWs) bands (ev): -57.2344 -57.2344 -33.0770 -33.0770 -30.5969 -30.5969 -30.5969 -30.5969 -25.3095 -25.3095 -25.3071 -25.3071 -11.3207 -11.3207 -10.5607 -10.5607 -10.5606 -10.5606 -10.5216 -10.5216 -10.4847 -10.4847 -10.4841 -10.4841 -8.9897 -8.9897 -8.9666 -8.9666 -8.7259 -8.7259 -8.7258 -8.7258 -8.7010 -8.7010 -8.7010 -8.7010 -1.1408 -1.1408 -0.4504 -0.4504 -0.4501 -0.4501 -0.3989 -0.3989 -0.3009 -0.3009 -0.3008 -0.3008 0.1602 0.1602 0.1903 0.1903 0.1920 0.1920 1.6990 1.6990 1.7000 1.7000 1.7592 1.7592 2.1419 2.1419 2.2944 2.2944 2.2961 2.2961 2.5404 2.5404 2.6092 2.6092 2.6095 2.6095 4.6878 4.6878 4.6881 4.6881 4.8097 4.8097 8.1655 8.1655 8.3271 8.3271 8.3271 8.3271 9.3243 9.3243 9.7011 9.7011 k = 0.0357 0.0206 0.0146 ( 9607 PWs) bands (ev): -57.2345 -57.2345 -33.0770 -33.0770 -30.5969 -30.5969 -30.5969 -30.5969 -25.3095 -25.3095 -25.3071 -25.3071 -11.3200 -11.3200 -10.5619 -10.5619 -10.5616 -10.5616 -10.5214 -10.5214 -10.4854 -10.4854 -10.4833 -10.4833 -8.9894 -8.9894 -8.9665 -8.9665 -8.7257 -8.7257 -8.7254 -8.7254 -8.7010 -8.7010 -8.7008 -8.7008 -1.1373 -1.1373 -0.4497 -0.4497 -0.4487 -0.4487 -0.3978 -0.3978 -0.3053 -0.3053 -0.3051 -0.3051 0.1631 0.1631 0.1921 0.1921 0.1984 0.1984 1.6953 1.6953 1.6995 1.6995 1.7574 1.7574 2.1380 2.1380 2.2880 2.2880 2.2949 2.2949 2.5376 2.5376 2.6059 2.6059 2.6071 2.6071 4.6899 4.6899 4.6910 4.6910 4.8123 4.8123 8.1752 8.1752 8.3232 8.3232 8.3232 8.3232 9.3315 9.3315 9.7077 9.7077 k = 0.0536 0.0309 0.0219 ( 9631 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5969 -30.5969 -25.3095 -25.3095 -25.3071 -25.3071 -11.3187 -11.3187 -10.5638 -10.5638 -10.5632 -10.5632 -10.5213 -10.5213 -10.4864 -10.4864 -10.4819 -10.4819 -8.9888 -8.9888 -8.9663 -8.9663 -8.7254 -8.7254 -8.7246 -8.7246 -8.7009 -8.7009 -8.7005 -8.7005 -1.1314 -1.1314 -0.4485 -0.4485 -0.4465 -0.4465 -0.3959 -0.3959 -0.3124 -0.3124 -0.3118 -0.3118 0.1654 0.1654 0.1975 0.1975 0.2087 0.2087 1.6893 1.6893 1.6981 1.6981 1.7547 1.7547 2.1312 2.1312 2.2779 2.2779 2.2928 2.2928 2.5330 2.5330 2.6006 2.6006 2.6033 2.6033 4.6933 4.6933 4.6959 4.6959 4.8165 4.8165 8.1912 8.1912 8.3169 8.3169 8.3170 8.3170 9.3435 9.3435 9.7186 9.7187 k = 0.0714 0.0412 0.0292 ( 9613 PWs) bands (ev): -57.2345 -57.2345 -33.0770 -33.0770 -30.5969 -30.5969 -30.5969 -30.5969 -25.3095 -25.3095 -25.3071 -25.3071 -11.3170 -11.3170 -10.5663 -10.5663 -10.5653 -10.5653 -10.5216 -10.5216 -10.4874 -10.4874 -10.4801 -10.4801 -8.9880 -8.9880 -8.9659 -8.9659 -8.7250 -8.7250 -8.7236 -8.7236 -8.7007 -8.7007 -8.6999 -8.6999 -1.1232 -1.1232 -0.4470 -0.4470 -0.4435 -0.4435 -0.3933 -0.3933 -0.3216 -0.3216 -0.3205 -0.3205 0.1651 0.1651 0.2079 0.2079 0.2225 0.2225 1.6809 1.6809 1.6950 1.6950 1.7522 1.7522 2.1209 2.1209 2.2649 2.2649 2.2902 2.2902 2.5265 2.5265 2.5931 2.5931 2.5980 2.5980 4.6980 4.6980 4.7025 4.7025 4.8224 4.8224 8.2136 8.2136 8.3084 8.3084 8.3084 8.3084 9.3601 9.3601 9.7340 9.7341 k = 0.0893 0.0515 0.0365 ( 9625 PWs) bands (ev): -57.2346 -57.2346 -33.0770 -33.0770 -30.5969 -30.5969 -30.5969 -30.5969 -25.3095 -25.3095 -25.3072 -25.3072 -11.3148 -11.3148 -10.5691 -10.5691 -10.5678 -10.5678 -10.5229 -10.5229 -10.4882 -10.4882 -10.4779 -10.4779 -8.9871 -8.9871 -8.9655 -8.9655 -8.7244 -8.7244 -8.7222 -8.7222 -8.7005 -8.7005 -8.6993 -8.6993 -1.1128 -1.1128 -0.4451 -0.4451 -0.4400 -0.4400 -0.3901 -0.3901 -0.3322 -0.3322 -0.3307 -0.3307 0.1622 0.1622 0.2230 0.2230 0.2394 0.2394 1.6702 1.6702 1.6894 1.6894 1.7506 1.7506 2.1063 2.1063 2.2503 2.2503 2.2869 2.2869 2.5182 2.5182 2.5837 2.5837 2.5913 2.5913 4.7037 4.7037 4.7108 4.7108 4.8296 4.8296 8.2421 8.2421 8.2977 8.2977 8.2978 8.2978 9.3812 9.3812 9.7537 9.7538 k = 0.1071 0.0619 0.0437 ( 9627 PWs) bands (ev): -57.2346 -57.2346 -33.0770 -33.0770 -30.5969 -30.5969 -30.5969 -30.5969 -25.3095 -25.3095 -25.3072 -25.3072 -11.3122 -11.3122 -10.5723 -10.5723 -10.5707 -10.5707 -10.5254 -10.5254 -10.4885 -10.4885 -10.4755 -10.4755 -8.9859 -8.9859 -8.9650 -8.9650 -8.7237 -8.7237 -8.7207 -8.7207 -8.7002 -8.7002 -8.6986 -8.6986 -1.1003 -1.1003 -0.4428 -0.4428 -0.4363 -0.4363 -0.3869 -0.3869 -0.3433 -0.3433 -0.3414 -0.3414 0.1574 0.1574 0.2415 0.2415 0.2588 0.2588 1.6574 1.6574 1.6805 1.6805 1.7509 1.7509 2.0866 2.0866 2.2354 2.2354 2.2831 2.2831 2.5080 2.5080 2.5723 2.5723 2.5833 2.5833 4.7104 4.7104 4.7206 4.7206 4.8383 4.8383 8.2766 8.2766 8.2852 8.2852 8.2852 8.2852 9.4066 9.4066 9.7775 9.7777 k = 0.1250 0.0722 0.0510 ( 9621 PWs) bands (ev): -57.2345 -57.2345 -33.0770 -33.0770 -30.5969 -30.5969 -30.5969 -30.5969 -25.3094 -25.3094 -25.3072 -25.3072 -11.3091 -11.3091 -10.5757 -10.5757 -10.5739 -10.5739 -10.5292 -10.5292 -10.4881 -10.4881 -10.4728 -10.4728 -8.9846 -8.9846 -8.9644 -8.9644 -8.7230 -8.7230 -8.7189 -8.7189 -8.6999 -8.6999 -8.6977 -8.6977 -1.0858 -1.0858 -0.4401 -0.4401 -0.4331 -0.4331 -0.3853 -0.3853 -0.3528 -0.3528 -0.3517 -0.3517 0.1512 0.1512 0.2626 0.2626 0.2802 0.2802 1.6425 1.6425 1.6682 1.6682 1.7532 1.7532 2.0610 2.0610 2.2215 2.2215 2.2791 2.2791 2.4961 2.4961 2.5591 2.5591 2.5743 2.5743 4.7179 4.7179 4.7317 4.7317 4.8481 4.8481 8.2711 8.2711 8.2711 8.2711 8.3168 8.3168 9.4361 9.4361 9.8056 9.8059 k = 0.1429 0.0825 0.0583 ( 9615 PWs) bands (ev): -57.2345 -57.2345 -33.0770 -33.0770 -30.5969 -30.5969 -30.5969 -30.5969 -25.3094 -25.3094 -25.3072 -25.3072 -11.3055 -11.3055 -10.5792 -10.5792 -10.5772 -10.5772 -10.5344 -10.5344 -10.4871 -10.4871 -10.4701 -10.4701 -8.9831 -8.9831 -8.9637 -8.9637 -8.7221 -8.7221 -8.7169 -8.7169 -8.6996 -8.6996 -8.6967 -8.6967 -1.0695 -1.0695 -0.4370 -0.4370 -0.4315 -0.4315 -0.3892 -0.3892 -0.3601 -0.3601 -0.3563 -0.3563 0.1440 0.1440 0.2856 0.2856 0.3033 0.3033 1.6258 1.6258 1.6528 1.6528 1.7574 1.7574 2.0292 2.0292 2.2092 2.2092 2.2748 2.2748 2.4824 2.4824 2.5441 2.5441 2.5641 2.5641 4.7259 4.7259 4.7440 4.7440 4.8590 4.8590 8.2557 8.2557 8.2557 8.2557 8.3626 8.3626 9.4692 9.4692 9.8376 9.8380 k = 0.1607 0.0928 0.0656 ( 9618 PWs) bands (ev): -57.2345 -57.2345 -33.0770 -33.0770 -30.5969 -30.5969 -30.5969 -30.5969 -25.3094 -25.3094 -25.3073 -25.3073 -11.3016 -11.3016 -10.5827 -10.5827 -10.5807 -10.5807 -10.5408 -10.5408 -10.4856 -10.4856 -10.4673 -10.4673 -8.9816 -8.9816 -8.9630 -8.9630 -8.7211 -8.7211 -8.7147 -8.7147 -8.6992 -8.6992 -8.6956 -8.6956 -1.0516 -1.0516 -0.4334 -0.4334 -0.4331 -0.4331 -0.3995 -0.3995 -0.3648 -0.3648 -0.3528 -0.3528 0.1359 0.1359 0.3099 0.3099 0.3276 0.3276 1.6074 1.6074 1.6348 1.6348 1.7630 1.7630 1.9918 1.9918 2.1988 2.1988 2.2704 2.2704 2.4671 2.4671 2.5276 2.5276 2.5531 2.5531 4.7343 4.7343 4.7571 4.7571 4.8706 4.8706 8.2392 8.2392 8.2393 8.2393 8.4136 8.4136 9.5058 9.5058 9.8737 9.8740 k = 0.1786 0.1031 0.0729 ( 9603 PWs) bands (ev): -57.2345 -57.2345 -33.0770 -33.0770 -30.5969 -30.5969 -30.5969 -30.5969 -25.3093 -25.3093 -25.3073 -25.3073 -11.2974 -11.2974 -10.5863 -10.5863 -10.5842 -10.5842 -10.5481 -10.5481 -10.4837 -10.4837 -10.4644 -10.4644 -8.9799 -8.9799 -8.9622 -8.9622 -8.7201 -8.7201 -8.7123 -8.7123 -8.6989 -8.6989 -8.6945 -8.6945 -1.0323 -1.0323 -0.4388 -0.4388 -0.4292 -0.4292 -0.4125 -0.4125 -0.3647 -0.3647 -0.3456 -0.3456 0.1271 0.1271 0.3352 0.3352 0.3526 0.3526 1.5875 1.5875 1.6148 1.6148 1.7699 1.7699 1.9495 1.9495 2.1900 2.1900 2.2660 2.2660 2.4502 2.4502 2.5096 2.5096 2.5411 2.5411 4.7429 4.7429 4.7710 4.7710 4.8830 4.8830 8.2219 8.2219 8.2222 8.2222 8.4696 8.4696 9.5452 9.5452 9.9134 9.9139 k = 0.1964 0.1134 0.0802 ( 9606 PWs) bands (ev): -57.2345 -57.2345 -33.0770 -33.0770 -30.5969 -30.5969 -30.5969 -30.5969 -25.3093 -25.3093 -25.3073 -25.3073 -11.2927 -11.2927 -10.5899 -10.5899 -10.5877 -10.5877 -10.5562 -10.5562 -10.4817 -10.4817 -10.4616 -10.4616 -8.9781 -8.9781 -8.9613 -8.9613 -8.7190 -8.7190 -8.7098 -8.7098 -8.6985 -8.6985 -8.6933 -8.6933 -1.0119 -1.0119 -0.4480 -0.4480 -0.4278 -0.4278 -0.4230 -0.4230 -0.3602 -0.3602 -0.3363 -0.3363 0.1176 0.1176 0.3611 0.3611 0.3782 0.3782 1.5666 1.5666 1.5931 1.5931 1.7777 1.7777 1.9031 1.9031 2.1827 2.1827 2.2617 2.2617 2.4320 2.4320 2.4904 2.4904 2.5285 2.5285 4.7516 4.7516 4.7853 4.7853 4.8958 4.8958 8.2042 8.2042 8.2046 8.2046 8.5301 8.5301 9.5870 9.5870 9.9568 9.9577 k = 0.2143 0.1237 0.0875 ( 9612 PWs) bands (ev): -57.2345 -57.2345 -33.0770 -33.0770 -30.5969 -30.5969 -30.5969 -30.5969 -25.3092 -25.3092 -25.3074 -25.3074 -11.2879 -11.2879 -10.5935 -10.5935 -10.5913 -10.5913 -10.5649 -10.5649 -10.4797 -10.4797 -10.4588 -10.4588 -8.9763 -8.9763 -8.9605 -8.9605 -8.7178 -8.7178 -8.7073 -8.7073 -8.6981 -8.6981 -8.6920 -8.6920 -0.9906 -0.9906 -0.4593 -0.4593 -0.4412 -0.4412 -0.4178 -0.4178 -0.3526 -0.3526 -0.3259 -0.3259 0.1077 0.1077 0.3873 0.3873 0.4039 0.4039 1.5448 1.5448 1.5701 1.5701 1.7861 1.7861 1.8538 1.8538 2.1764 2.1764 2.2576 2.2576 2.4126 2.4126 2.4701 2.4701 2.5152 2.5152 4.7603 4.7603 4.8000 4.8000 4.9090 4.9090 8.1863 8.1863 8.1869 8.1869 8.5949 8.5949 9.6306 9.6306 10.0037 10.0047 k = 0.2321 0.1340 0.0948 ( 9618 PWs) bands (ev): -57.2345 -57.2345 -33.0770 -33.0770 -30.5969 -30.5969 -30.5969 -30.5969 -25.3092 -25.3092 -25.3074 -25.3074 -11.2827 -11.2827 -10.5970 -10.5970 -10.5947 -10.5947 -10.5740 -10.5740 -10.4776 -10.4776 -10.4561 -10.4561 -8.9744 -8.9744 -8.9596 -8.9596 -8.7166 -8.7166 -8.7047 -8.7047 -8.6977 -8.6977 -8.6907 -8.6907 -0.9687 -0.9687 -0.4716 -0.4716 -0.4551 -0.4551 -0.4107 -0.4107 -0.3431 -0.3431 -0.3145 -0.3145 0.0973 0.0973 0.4134 0.4134 0.4294 0.4294 1.5224 1.5224 1.5463 1.5463 1.7906 1.7906 1.8066 1.8066 2.1711 2.1711 2.2537 2.2537 2.3922 2.3922 2.4489 2.4489 2.5014 2.5014 4.7687 4.7687 4.8147 4.8147 4.9222 4.9222 8.1683 8.1683 8.1692 8.1692 8.6636 8.6636 9.6751 9.6751 10.0538 10.0539 k = 0.2500 0.1443 0.1021 ( 9645 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5970 -30.5970 -25.3092 -25.3092 -25.3075 -25.3075 -11.2774 -11.2774 -10.6004 -10.6004 -10.5981 -10.5981 -10.5834 -10.5834 -10.4755 -10.4755 -10.4535 -10.4535 -8.9726 -8.9726 -8.9587 -8.9587 -8.7154 -8.7154 -8.7021 -8.7021 -8.6974 -8.6974 -8.6893 -8.6893 -0.9468 -0.9468 -0.4842 -0.4842 -0.4686 -0.4686 -0.4023 -0.4023 -0.3323 -0.3323 -0.3024 -0.3024 0.0867 0.0867 0.4392 0.4392 0.4545 0.4545 1.4999 1.4999 1.5220 1.5220 1.7457 1.7457 1.8077 1.8077 2.1666 2.1666 2.2500 2.2500 2.3710 2.3710 2.4270 2.4270 2.4871 2.4871 4.7768 4.7768 4.8293 4.8293 4.9355 4.9355 8.1506 8.1506 8.1517 8.1517 8.7358 8.7358 9.7199 9.7199 10.1068 10.1073 k = 0.2679 0.1546 0.1094 ( 9633 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5969 -30.5969 -25.3091 -25.3091 -25.3075 -25.3075 -11.2719 -11.2719 -10.6040 -10.6040 -10.6013 -10.6013 -10.5927 -10.5927 -10.4735 -10.4735 -10.4511 -10.4511 -8.9708 -8.9708 -8.9578 -8.9578 -8.7142 -8.7142 -8.6994 -8.6994 -8.6970 -8.6970 -8.6880 -8.6880 -0.9250 -0.9250 -0.4966 -0.4966 -0.4816 -0.4816 -0.3923 -0.3923 -0.3206 -0.3206 -0.2898 -0.2898 0.0759 0.0759 0.4645 0.4645 0.4788 0.4788 1.4776 1.4776 1.4977 1.4977 1.6912 1.6912 1.8179 1.8179 2.1627 2.1627 2.2466 2.2466 2.3493 2.3493 2.4047 2.4047 2.4725 2.4725 4.7845 4.7845 4.8435 4.8435 4.9484 4.9484 8.1334 8.1334 8.1348 8.1348 8.8109 8.8109 9.7640 9.7640 10.1627 10.1632 k = 0.2857 0.1650 0.1166 ( 9633 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5969 -30.5969 -25.3090 -25.3090 -25.3076 -25.3076 -11.2663 -11.2663 -10.6082 -10.6082 -10.6044 -10.6044 -10.6013 -10.6013 -10.4715 -10.4715 -10.4487 -10.4487 -8.9690 -8.9690 -8.9569 -8.9569 -8.7129 -8.7129 -8.6969 -8.6969 -8.6967 -8.6967 -8.6866 -8.6866 -0.9037 -0.9037 -0.5085 -0.5085 -0.4939 -0.4939 -0.3808 -0.3808 -0.3084 -0.3084 -0.2768 -0.2768 0.0650 0.0650 0.4888 0.4888 0.5021 0.5021 1.4559 1.4559 1.4737 1.4737 1.6360 1.6360 1.8289 1.8289 2.1593 2.1593 2.2435 2.2435 2.3273 2.3273 2.3823 2.3823 2.4578 2.4578 4.7918 4.7918 4.8574 4.8574 4.9611 4.9611 8.1168 8.1168 8.1184 8.1184 8.8885 8.8885 9.8062 9.8062 10.2211 10.2214 k = 0.3036 0.1753 0.1239 ( 9627 PWs) bands (ev): -57.2346 -57.2346 -33.0770 -33.0770 -30.5970 -30.5970 -30.5969 -30.5969 -25.3090 -25.3090 -25.3076 -25.3076 -11.2608 -11.2608 -10.6149 -10.6149 -10.6074 -10.6074 -10.6071 -10.6071 -10.4697 -10.4697 -10.4465 -10.4465 -8.9673 -8.9673 -8.9560 -8.9560 -8.7117 -8.7117 -8.6964 -8.6964 -8.6944 -8.6944 -8.6853 -8.6853 -0.8835 -0.8835 -0.5199 -0.5199 -0.5054 -0.5054 -0.3676 -0.3676 -0.2960 -0.2960 -0.2637 -0.2637 0.0540 0.0540 0.5120 0.5120 0.5241 0.5241 1.4350 1.4350 1.4503 1.4503 1.5811 1.5811 1.8402 1.8402 2.1564 2.1564 2.2407 2.2407 2.3054 2.3054 2.3599 2.3599 2.4429 2.4429 4.7986 4.7986 4.8706 4.8706 4.9732 4.9732 8.1010 8.1010 8.1029 8.1029 8.9682 8.9682 9.8455 9.8455 10.2816 10.2817 k = 0.3214 0.1856 0.1312 ( 9645 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5970 -30.5970 -25.3089 -25.3089 -25.3077 -25.3077 -11.2553 -11.2553 -10.6235 -10.6235 -10.6106 -10.6106 -10.6101 -10.6101 -10.4681 -10.4681 -10.4445 -10.4445 -8.9656 -8.9656 -8.9551 -8.9551 -8.7104 -8.7104 -8.6962 -8.6962 -8.6920 -8.6920 -8.6840 -8.6840 -0.8645 -0.8645 -0.5305 -0.5305 -0.5161 -0.5161 -0.3527 -0.3527 -0.2835 -0.2835 -0.2505 -0.2505 0.0432 0.0432 0.5338 0.5338 0.5445 0.5445 1.4154 1.4154 1.4279 1.4279 1.5272 1.5272 1.8516 1.8516 2.1539 2.1539 2.2382 2.2382 2.2838 2.2838 2.3380 2.3380 2.4282 2.4282 4.8048 4.8048 4.8831 4.8831 4.9846 4.9846 8.0861 8.0861 8.0884 8.0884 9.0493 9.0493 9.8807 9.8807 10.3440 10.3442 k = 0.3393 0.1959 0.1385 ( 9645 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5970 -30.5970 -25.3089 -25.3089 -25.3077 -25.3077 -11.2499 -11.2499 -10.6323 -10.6323 -10.6133 -10.6133 -10.6126 -10.6126 -10.4665 -10.4665 -10.4427 -10.4427 -8.9641 -8.9641 -8.9543 -8.9543 -8.7092 -8.7092 -8.6960 -8.6960 -8.6898 -8.6898 -8.6828 -8.6828 -0.8471 -0.8471 -0.5404 -0.5404 -0.5259 -0.5259 -0.3362 -0.3362 -0.2712 -0.2712 -0.2376 -0.2376 0.0325 0.0325 0.5540 0.5540 0.5632 0.5632 1.3974 1.3974 1.4065 1.4065 1.4754 1.4754 1.8631 1.8631 2.1518 2.1518 2.2359 2.2359 2.2628 2.2628 2.3167 2.3167 2.4137 2.4137 4.8105 4.8105 4.8947 4.8947 4.9953 4.9953 8.0723 8.0723 8.0749 8.0749 9.1313 9.1313 9.9104 9.9104 10.4080 10.4081 k = 0.3571 0.2062 0.1458 ( 9645 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5970 -30.5970 -25.3088 -25.3088 -25.3078 -25.3078 -11.2448 -11.2448 -10.6408 -10.6408 -10.6157 -10.6157 -10.6149 -10.6149 -10.4651 -10.4651 -10.4410 -10.4410 -8.9627 -8.9627 -8.9536 -8.9536 -8.7081 -8.7081 -8.6958 -8.6958 -8.6878 -8.6878 -8.6816 -8.6816 -0.8314 -0.8314 -0.5493 -0.5493 -0.5347 -0.5347 -0.3185 -0.3185 -0.2594 -0.2594 -0.2250 -0.2250 0.0220 0.0220 0.5723 0.5723 0.5799 0.5799 1.3811 1.3811 1.3856 1.3856 1.4272 1.4272 1.8743 1.8743 2.1500 2.1500 2.2339 2.2339 2.2428 2.2428 2.2965 2.2965 2.3997 2.3997 4.8156 4.8156 4.9053 4.9053 5.0051 5.0051 8.0597 8.0597 8.0626 8.0626 9.2134 9.2134 9.9337 9.9337 10.4731 10.4734 k = 0.3750 0.2165 0.1531 ( 9651 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5970 -30.5970 -25.3087 -25.3087 -25.3078 -25.3078 -11.2400 -11.2400 -10.6487 -10.6487 -10.6177 -10.6177 -10.6170 -10.6170 -10.4639 -10.4639 -10.4395 -10.4395 -8.9614 -8.9614 -8.9529 -8.9529 -8.7070 -8.7070 -8.6957 -8.6957 -8.6860 -8.6860 -8.6805 -8.6805 -0.8177 -0.8177 -0.5573 -0.5573 -0.5426 -0.5426 -0.3000 -0.3000 -0.2483 -0.2483 -0.2130 -0.2130 0.0117 0.0117 0.5886 0.5886 0.5946 0.5946 1.3612 1.3612 1.3667 1.3667 1.3876 1.3876 1.8851 1.8851 2.1485 2.1485 2.2240 2.2240 2.2322 2.2322 2.2776 2.2776 2.3864 2.3864 4.8201 4.8201 4.9149 4.9149 5.0140 5.0140 8.0484 8.0484 8.0515 8.0515 9.2950 9.2950 9.9495 9.9495 10.5390 10.5390 k = 0.3929 0.2268 0.1604 ( 9663 PWs) bands (ev): -57.2347 -57.2347 -33.0771 -33.0771 -30.5970 -30.5970 -30.5970 -30.5970 -25.3087 -25.3087 -25.3079 -25.3079 -11.2356 -11.2356 -10.6559 -10.6559 -10.6195 -10.6195 -10.6188 -10.6188 -10.4628 -10.4628 -10.4382 -10.4382 -8.9603 -8.9603 -8.9522 -8.9522 -8.7060 -8.7060 -8.6956 -8.6956 -8.6845 -8.6845 -8.6794 -8.6794 -0.8059 -0.8059 -0.5643 -0.5643 -0.5495 -0.5495 -0.2812 -0.2812 -0.2380 -0.2380 -0.2017 -0.2017 0.0018 0.0018 0.6027 0.6027 0.6071 0.6071 1.3267 1.3267 1.3545 1.3545 1.3642 1.3642 1.8953 1.8953 2.1473 2.1473 2.2068 2.2068 2.2306 2.2306 2.2604 2.2604 2.3740 2.3740 4.8240 4.8240 4.9233 4.9233 5.0218 5.0218 8.0384 8.0384 8.0418 8.0418 9.3752 9.3752 9.9570 9.9570 10.6051 10.6052 k = 0.4107 0.2371 0.1677 ( 9663 PWs) bands (ev): -57.2347 -57.2347 -33.0771 -33.0771 -30.5970 -30.5970 -30.5970 -30.5970 -25.3086 -25.3086 -25.3080 -25.3080 -11.2317 -11.2317 -10.6622 -10.6622 -10.6210 -10.6210 -10.6203 -10.6203 -10.4619 -10.4619 -10.4371 -10.4371 -8.9594 -8.9594 -8.9517 -8.9517 -8.7051 -8.7051 -8.6956 -8.6956 -8.6831 -8.6831 -8.6785 -8.6785 -0.7961 -0.7961 -0.5702 -0.5702 -0.5554 -0.5554 -0.2629 -0.2629 -0.2289 -0.2289 -0.1912 -0.1912 -0.0077 -0.0077 0.6146 0.6146 0.6175 0.6175 1.2905 1.2905 1.3443 1.3443 1.3496 1.3496 1.9046 1.9046 2.1463 2.1463 2.1916 2.1916 2.2292 2.2292 2.2454 2.2454 2.3628 2.3628 4.8273 4.8273 4.9306 4.9306 5.0285 5.0285 8.0299 8.0299 8.0335 8.0335 9.4531 9.4531 9.9558 9.9558 10.6711 10.6751 k = 0.4286 0.2474 0.1750 ( 9645 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5970 -30.5970 -25.3085 -25.3085 -25.3080 -25.3080 -11.2284 -11.2284 -10.6676 -10.6676 -10.6223 -10.6223 -10.6216 -10.6216 -10.4611 -10.4611 -10.4362 -10.4362 -8.9585 -8.9585 -8.9512 -8.9512 -8.7043 -8.7043 -8.6956 -8.6956 -8.6820 -8.6820 -8.6777 -8.6777 -0.7882 -0.7882 -0.5751 -0.5751 -0.5602 -0.5602 -0.2460 -0.2460 -0.2211 -0.2211 -0.1818 -0.1818 -0.0167 -0.0167 0.6243 0.6243 0.6257 0.6257 1.2584 1.2584 1.3362 1.3362 1.3386 1.3386 1.9127 1.9127 2.1455 2.1455 2.1786 2.1786 2.2270 2.2270 2.2336 2.2336 2.3531 2.3531 4.8300 4.8300 4.9366 4.9366 5.0341 5.0341 8.0228 8.0228 8.0267 8.0267 9.5276 9.5276 9.9456 9.9456 10.7361 10.7392 k = 0.4464 0.2577 0.1823 ( 9654 PWs) bands (ev): -57.2347 -57.2347 -33.0771 -33.0771 -30.5970 -30.5970 -30.5970 -30.5970 -25.3085 -25.3085 -25.3081 -25.3081 -11.2257 -11.2257 -10.6719 -10.6719 -10.6233 -10.6233 -10.6226 -10.6226 -10.4605 -10.4605 -10.4355 -10.4355 -8.9579 -8.9579 -8.9508 -8.9508 -8.7037 -8.7037 -8.6957 -8.6957 -8.6812 -8.6812 -8.6770 -8.6770 -0.7821 -0.7821 -0.5790 -0.5790 -0.5640 -0.5640 -0.2316 -0.2316 -0.2148 -0.2148 -0.1735 -0.1735 -0.0247 -0.0247 0.6317 0.6317 0.6320 0.6320 1.2323 1.2323 1.3301 1.3301 1.3305 1.3305 1.9194 1.9194 2.1450 2.1450 2.1682 2.1682 2.2203 2.2203 2.2292 2.2292 2.3452 2.3452 4.8321 4.8321 4.9413 4.9413 5.0384 5.0384 8.0173 8.0173 8.0213 8.0213 9.5973 9.5973 9.9271 9.9271 10.7991 10.7997 k = 0.4643 0.2681 0.1895 ( 9648 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5970 -30.5970 -25.3084 -25.3084 -25.3081 -25.3081 -11.2238 -11.2238 -10.6750 -10.6750 -10.6240 -10.6240 -10.6234 -10.6234 -10.4601 -10.4601 -10.4350 -10.4350 -8.9575 -8.9575 -8.9505 -8.9505 -8.7032 -8.7032 -8.6957 -8.6957 -8.6806 -8.6806 -8.6765 -8.6765 -0.7779 -0.7779 -0.5817 -0.5817 -0.5667 -0.5667 -0.2206 -0.2206 -0.2101 -0.2101 -0.1668 -0.1668 -0.0313 -0.0313 0.6363 0.6363 0.6369 0.6369 1.2129 1.2129 1.3248 1.3248 1.3258 1.3258 1.9243 1.9243 2.1448 2.1448 2.1604 2.1604 2.2131 2.2131 2.2281 2.2281 2.3393 2.3393 4.8336 4.8336 4.9447 4.9447 5.0416 5.0416 8.0133 8.0133 8.0174 8.0174 9.6597 9.6597 9.9017 9.9017 10.8581 10.8590 k = 0.4821 0.2784 0.1968 ( 9636 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5969 -30.5969 -25.3083 -25.3083 -25.3082 -25.3082 -11.2226 -11.2226 -10.6769 -10.6769 -10.6244 -10.6244 -10.6238 -10.6238 -10.4598 -10.4598 -10.4347 -10.4347 -8.9572 -8.9572 -8.9504 -8.9504 -8.7029 -8.7029 -8.6957 -8.6957 -8.6803 -8.6803 -8.6762 -8.6762 -0.7754 -0.7754 -0.5834 -0.5834 -0.5683 -0.5683 -0.2137 -0.2137 -0.2073 -0.2073 -0.1623 -0.1623 -0.0357 -0.0357 0.6389 0.6389 0.6401 0.6401 1.2011 1.2011 1.3214 1.3214 1.3233 1.3233 1.9274 1.9274 2.1447 2.1447 2.1555 2.1555 2.2086 2.2086 2.2277 2.2277 2.3357 2.3357 4.8345 4.8345 4.9467 4.9467 5.0435 5.0435 8.0109 8.0109 8.0151 8.0151 9.7097 9.7097 9.8742 9.8742 10.9086 10.9104 k = 0.5000 0.2887 0.2041 ( 9684 PWs) bands (ev): -57.2348 -57.2348 -33.0771 -33.0771 -30.5970 -30.5970 -30.5970 -30.5970 -25.3083 -25.3083 -25.3083 -25.3083 -11.2222 -11.2222 -10.6775 -10.6775 -10.6245 -10.6245 -10.6239 -10.6239 -10.4597 -10.4597 -10.4346 -10.4346 -8.9571 -8.9571 -8.9503 -8.9503 -8.7028 -8.7028 -8.6958 -8.6958 -8.6802 -8.6802 -8.6761 -8.6761 -0.7745 -0.7745 -0.5840 -0.5840 -0.5688 -0.5688 -0.2114 -0.2114 -0.2064 -0.2064 -0.1606 -0.1606 -0.0373 -0.0373 0.6397 0.6397 0.6411 0.6411 1.1971 1.1971 1.3203 1.3203 1.3225 1.3225 1.9285 1.9285 2.1447 2.1447 2.1539 2.1539 2.2071 2.2071 2.2275 2.2275 2.3345 2.3345 4.8348 4.8348 4.9474 4.9474 5.0441 5.0441 8.0101 8.0101 8.0143 8.0143 9.7318 9.7318 9.8596 9.8596 10.9329 10.9385 k = 0.5000 0.2887 0.2041 ( 9684 PWs) bands (ev): -57.2348 -57.2348 -33.0771 -33.0771 -30.5970 -30.5970 -30.5970 -30.5970 -25.3083 -25.3083 -25.3083 -25.3083 -11.2222 -11.2222 -10.6775 -10.6775 -10.6245 -10.6245 -10.6239 -10.6239 -10.4597 -10.4597 -10.4346 -10.4346 -8.9571 -8.9571 -8.9503 -8.9503 -8.7028 -8.7028 -8.6958 -8.6958 -8.6802 -8.6802 -8.6761 -8.6761 -0.7745 -0.7745 -0.5840 -0.5840 -0.5688 -0.5688 -0.2114 -0.2114 -0.2064 -0.2064 -0.1606 -0.1606 -0.0373 -0.0373 0.6397 0.6397 0.6411 0.6411 1.1971 1.1971 1.3203 1.3203 1.3225 1.3225 1.9285 1.9285 2.1447 2.1447 2.1539 2.1539 2.2071 2.2071 2.2275 2.2275 2.3345 2.3345 4.8348 4.8348 4.9474 4.9474 5.0441 5.0441 8.0101 8.0101 8.0143 8.0143 9.7318 9.7318 9.8596 9.8596 10.9329 10.9334 k = 0.5062 0.2706 0.2143 ( 9638 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5969 -30.5969 -25.3083 -25.3083 -25.3083 -25.3083 -11.2221 -11.2221 -10.6784 -10.6784 -10.6243 -10.6243 -10.6232 -10.6232 -10.4599 -10.4599 -10.4348 -10.4348 -8.9571 -8.9571 -8.9503 -8.9503 -8.7027 -8.7027 -8.6957 -8.6957 -8.6801 -8.6801 -8.6761 -8.6761 -0.7734 -0.7734 -0.5847 -0.5847 -0.5695 -0.5695 -0.2118 -0.2118 -0.2068 -0.2068 -0.1610 -0.1610 -0.0343 -0.0343 0.6396 0.6396 0.6410 0.6410 1.1984 1.1984 1.3205 1.3205 1.3227 1.3227 1.9264 1.9264 2.1427 2.1427 2.1537 2.1537 2.2074 2.2074 2.2260 2.2260 2.3340 2.3340 4.8357 4.8357 4.9478 4.9478 5.0446 5.0446 8.0085 8.0085 8.0137 8.0137 9.7342 9.7342 9.8622 9.8622 10.9337 10.9356 k = 0.5125 0.2526 0.2245 ( 9637 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5969 -30.5969 -25.3083 -25.3083 -25.3083 -25.3083 -11.2217 -11.2217 -10.6808 -10.6808 -10.6241 -10.6241 -10.6208 -10.6208 -10.4604 -10.4604 -10.4354 -10.4354 -8.9569 -8.9569 -8.9502 -8.9502 -8.7025 -8.7025 -8.6956 -8.6956 -8.6800 -8.6800 -8.6760 -8.6760 -0.7702 -0.7702 -0.5880 -0.5880 -0.5705 -0.5705 -0.2133 -0.2133 -0.2076 -0.2076 -0.1619 -0.1619 -0.0256 -0.0256 0.6388 0.6388 0.6414 0.6414 1.2025 1.2025 1.3210 1.3210 1.3234 1.3234 1.9203 1.9203 2.1366 2.1366 2.1532 2.1532 2.2082 2.2082 2.2217 2.2217 2.3326 2.3326 4.8384 4.8384 4.9490 4.9490 5.0462 5.0462 8.0015 8.0015 8.0142 8.0142 9.7416 9.7416 9.8698 9.8698 10.9348 10.9351 k = 0.5188 0.2345 0.2347 ( 9642 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5970 -30.5970 -25.3083 -25.3083 -25.3083 -25.3083 -11.2210 -11.2210 -10.6844 -10.6844 -10.6239 -10.6239 -10.6170 -10.6170 -10.4613 -10.4613 -10.4363 -10.4363 -8.9566 -8.9566 -8.9501 -8.9501 -8.7021 -8.7021 -8.6955 -8.6955 -8.6799 -8.6799 -8.6760 -8.6760 -0.7649 -0.7649 -0.5950 -0.5950 -0.5701 -0.5701 -0.2168 -0.2168 -0.2082 -0.2082 -0.1631 -0.1631 -0.0117 -0.0117 0.6370 0.6370 0.6423 0.6423 1.2092 1.2092 1.3214 1.3214 1.3251 1.3251 1.9104 1.9104 2.1263 2.1263 2.1519 2.1519 2.2085 2.2085 2.2159 2.2159 2.3303 2.3303 4.8427 4.8427 4.9510 4.9510 5.0489 5.0489 7.9890 7.9890 8.0161 8.0161 9.7539 9.7539 9.8824 9.8824 10.9351 10.9352 k = 0.5250 0.2165 0.2449 ( 9635 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5969 -30.5969 -25.3083 -25.3083 -25.3083 -25.3083 -11.2201 -11.2201 -10.6888 -10.6888 -10.6236 -10.6236 -10.6123 -10.6123 -10.4626 -10.4626 -10.4377 -10.4377 -8.9563 -8.9563 -8.9499 -8.9499 -8.7016 -8.7016 -8.6953 -8.6953 -8.6797 -8.6797 -8.6759 -8.6759 -0.7577 -0.7577 -0.6055 -0.6055 -0.5679 -0.5679 -0.2222 -0.2222 -0.2083 -0.2083 -0.1642 -0.1642 0.0065 0.0065 0.6344 0.6344 0.6437 0.6437 1.2183 1.2183 1.3216 1.3216 1.3280 1.3280 1.8967 1.8967 2.1115 2.1115 2.1496 2.1496 2.2034 2.2034 2.2145 2.2145 2.3274 2.3274 4.8482 4.8482 4.9538 4.9538 5.0529 5.0529 7.9718 7.9718 8.0190 8.0190 9.7709 9.7709 9.8999 9.8999 10.9348 10.9348 k = 0.5312 0.1985 0.2552 ( 9633 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5969 -30.5969 -25.3083 -25.3083 -25.3083 -25.3083 -11.2190 -11.2190 -10.6936 -10.6936 -10.6232 -10.6232 -10.6071 -10.6071 -10.4642 -10.4642 -10.4393 -10.4393 -8.9558 -8.9558 -8.9497 -8.9497 -8.7010 -8.7010 -8.6950 -8.6950 -8.6795 -8.6795 -8.6758 -8.6758 -0.7489 -0.7489 -0.6182 -0.6182 -0.5645 -0.5645 -0.2293 -0.2293 -0.2084 -0.2084 -0.1648 -0.1648 0.0282 0.0282 0.6310 0.6310 0.6453 0.6453 1.2294 1.2294 1.3220 1.3220 1.3321 1.3321 1.8797 1.8797 2.0919 2.0919 2.1460 2.1460 2.1940 2.1940 2.2165 2.2165 2.3241 2.3241 4.8545 4.8545 4.9572 4.9572 5.0582 5.0582 7.9504 7.9504 8.0226 8.0226 9.7927 9.7927 9.9221 9.9221 10.9340 10.9340 k = 0.5375 0.1804 0.2654 ( 9637 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5969 -30.5969 -25.3083 -25.3083 -25.3083 -25.3083 -11.2177 -11.2177 -10.6987 -10.6987 -10.6227 -10.6227 -10.6016 -10.6016 -10.4662 -10.4662 -10.4412 -10.4412 -8.9553 -8.9553 -8.9495 -8.9495 -8.7003 -8.7003 -8.6947 -8.6947 -8.6792 -8.6792 -8.6757 -8.6757 -0.7392 -0.7392 -0.6319 -0.6319 -0.5600 -0.5600 -0.2379 -0.2379 -0.2084 -0.2084 -0.1649 -0.1649 0.0528 0.0528 0.6269 0.6269 0.6470 0.6470 1.2422 1.2422 1.3227 1.3227 1.3377 1.3377 1.8596 1.8596 2.0674 2.0674 2.1412 2.1412 2.1835 2.1835 2.2187 2.2187 2.3210 2.3210 4.8609 4.8609 4.9616 4.9616 5.0650 5.0650 7.9254 7.9254 8.0272 8.0272 9.8189 9.8189 9.9488 9.9488 10.9323 10.9323 k = 0.5437 0.1624 0.2756 ( 9635 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5969 -30.5969 -25.3083 -25.3083 -25.3083 -25.3083 -11.2162 -11.2162 -10.7038 -10.7038 -10.6222 -10.6222 -10.5959 -10.5959 -10.4687 -10.4687 -10.4433 -10.4433 -8.9547 -8.9547 -8.9492 -8.9492 -8.6995 -8.6995 -8.6943 -8.6943 -8.6789 -8.6789 -8.6755 -8.6755 -0.7299 -0.7299 -0.6445 -0.6445 -0.5547 -0.5547 -0.2479 -0.2479 -0.2086 -0.2086 -0.1641 -0.1641 0.0796 0.0796 0.6221 0.6221 0.6487 0.6487 1.2560 1.2560 1.3239 1.3239 1.3451 1.3451 1.8367 1.8367 2.0385 2.0385 2.1351 2.1351 2.1729 2.1729 2.2199 2.2199 2.3188 2.3188 4.8666 4.8666 4.9672 4.9672 5.0733 5.0733 7.8973 7.8973 8.0325 8.0325 9.8496 9.8496 9.9797 9.9797 10.9294 10.9294 k = 0.5500 0.1443 0.2858 ( 9653 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5970 -30.5970 -25.3083 -25.3083 -25.3083 -25.3083 -11.2146 -11.2146 -10.7089 -10.7089 -10.6215 -10.6215 -10.5901 -10.5901 -10.4715 -10.4715 -10.4455 -10.4455 -8.9540 -8.9540 -8.9489 -8.9489 -8.6986 -8.6986 -8.6939 -8.6939 -8.6785 -8.6785 -8.6753 -8.6753 -0.7240 -0.7240 -0.6529 -0.6529 -0.5486 -0.5486 -0.2589 -0.2589 -0.2089 -0.2089 -0.1626 -0.1626 0.1079 0.1079 0.6167 0.6167 0.6502 0.6502 1.2701 1.2701 1.3257 1.3257 1.3548 1.3548 1.8113 1.8113 2.0055 2.0055 2.1276 2.1276 2.1624 2.1624 2.2191 2.2191 2.3182 2.3182 4.8710 4.8710 4.9744 4.9744 5.0829 5.0829 7.8668 7.8668 8.0386 8.0386 9.8843 9.8843 10.0146 10.0146 10.9248 10.9248 k = 0.5563 0.1263 0.2960 ( 9639 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5969 -30.5969 -25.3083 -25.3083 -25.3083 -25.3083 -11.2128 -11.2128 -10.7138 -10.7138 -10.6208 -10.6208 -10.5843 -10.5843 -10.4748 -10.4748 -10.4479 -10.4479 -8.9533 -8.9533 -8.9486 -8.9486 -8.6978 -8.6978 -8.6934 -8.6934 -8.6782 -8.6782 -8.6750 -8.6750 -0.7256 -0.7256 -0.6525 -0.6525 -0.5419 -0.5419 -0.2707 -0.2707 -0.2094 -0.2094 -0.1602 -0.1602 0.1374 0.1374 0.6107 0.6107 0.6514 0.6514 1.2837 1.2837 1.3283 1.3283 1.3674 1.3674 1.7837 1.7837 1.9691 1.9691 2.1187 2.1187 2.1525 2.1525 2.2155 2.2155 2.3199 2.3199 4.8735 4.8735 4.9833 4.9833 5.0937 5.0937 7.8344 7.8344 8.0455 8.0455 9.9228 9.9228 10.0530 10.0530 10.9181 10.9181 k = 0.5625 0.1083 0.3062 ( 9632 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5969 -30.5969 -25.3083 -25.3083 -25.3082 -25.3082 -11.2109 -11.2109 -10.7185 -10.7185 -10.6199 -10.6199 -10.5785 -10.5785 -10.4784 -10.4784 -10.4504 -10.4504 -8.9526 -8.9526 -8.9482 -8.9482 -8.6970 -8.6970 -8.6929 -8.6929 -8.6778 -8.6778 -8.6747 -8.6747 -0.7353 -0.7353 -0.6428 -0.6428 -0.5346 -0.5346 -0.2831 -0.2831 -0.2099 -0.2099 -0.1570 -0.1570 0.1675 0.1675 0.6044 0.6044 0.6521 0.6521 1.2960 1.2960 1.3320 1.3320 1.3832 1.3832 1.7544 1.7544 1.9300 1.9300 2.1082 2.1082 2.1434 2.1434 2.2089 2.2089 2.3242 2.3242 4.8739 4.8739 4.9938 4.9938 5.1054 5.1054 7.8008 7.8008 8.0531 8.0531 9.9649 9.9649 10.0946 10.0946 10.9087 10.9087 k = 0.5687 0.0902 0.3164 ( 9641 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5969 -30.5969 -25.3083 -25.3083 -25.3082 -25.3082 -11.2090 -11.2090 -10.7229 -10.7229 -10.6189 -10.6189 -10.5729 -10.5729 -10.4823 -10.4823 -10.4529 -10.4529 -8.9519 -8.9519 -8.9478 -8.9478 -8.6962 -8.6962 -8.6923 -8.6923 -8.6775 -8.6775 -8.6743 -8.6743 -0.7495 -0.7495 -0.6274 -0.6274 -0.5268 -0.5268 -0.2958 -0.2958 -0.2105 -0.2105 -0.1530 -0.1530 0.1977 0.1977 0.5977 0.5977 0.6522 0.6522 1.3069 1.3069 1.3368 1.3368 1.4019 1.4019 1.7236 1.7236 1.8890 1.8890 2.0963 2.0963 2.1352 2.1352 2.1994 2.1994 2.3307 2.3307 4.8723 4.8723 5.0058 5.0058 5.1177 5.1177 7.7665 7.7665 8.0615 8.0615 10.0099 10.0099 10.1390 10.1390 10.8963 10.8963 k = 0.5750 0.0722 0.3266 ( 9647 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5970 -30.5970 -25.3083 -25.3083 -25.3082 -25.3082 -11.2071 -11.2071 -10.7270 -10.7270 -10.6179 -10.6179 -10.5674 -10.5674 -10.4865 -10.4865 -10.4555 -10.4555 -8.9512 -8.9512 -8.9474 -8.9474 -8.6956 -8.6956 -8.6916 -8.6916 -8.6771 -8.6771 -8.6738 -8.6738 -0.7655 -0.7655 -0.6093 -0.6093 -0.5186 -0.5186 -0.3086 -0.3086 -0.2109 -0.2109 -0.1483 -0.1483 0.2276 0.2276 0.5911 0.5911 0.6514 0.6514 1.3166 1.3166 1.3429 1.3429 1.4229 1.4229 1.6918 1.6918 1.8470 1.8470 2.0830 2.0830 2.1279 2.1279 2.1877 2.1877 2.3391 2.3391 4.8689 4.8689 5.0187 5.0187 5.1304 5.1304 7.7320 7.7320 8.0705 8.0705 10.0574 10.0574 10.1856 10.1856 10.8804 10.8804 k = 0.5813 0.0541 0.3368 ( 9640 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5969 -30.5969 -25.3083 -25.3083 -25.3082 -25.3082 -11.2053 -11.2053 -10.7307 -10.7307 -10.6167 -10.6167 -10.5621 -10.5621 -10.4910 -10.4910 -10.4581 -10.4581 -8.9506 -8.9506 -8.9470 -8.9470 -8.6951 -8.6951 -8.6909 -8.6909 -8.6768 -8.6768 -8.6732 -8.6732 -0.7819 -0.7819 -0.5899 -0.5899 -0.5100 -0.5100 -0.3211 -0.3211 -0.2110 -0.2110 -0.1429 -0.1429 0.2567 0.2567 0.5846 0.5846 0.6496 0.6496 1.3255 1.3255 1.3503 1.3503 1.4451 1.4451 1.6594 1.6594 1.8052 1.8052 2.0689 2.0689 2.1213 2.1213 2.1742 2.1742 2.3487 2.3487 4.8641 4.8641 5.0321 5.0321 5.1431 5.1431 7.6980 7.6980 8.0802 8.0802 10.1068 10.1068 10.2337 10.2337 10.8609 10.8609 k = 0.5875 0.0361 0.3470 ( 9622 PWs) bands (ev): -57.2345 -57.2345 -33.0770 -33.0770 -30.5970 -30.5970 -30.5969 -30.5969 -25.3083 -25.3083 -25.3082 -25.3082 -11.2035 -11.2035 -10.7340 -10.7340 -10.6154 -10.6154 -10.5570 -10.5570 -10.4955 -10.4955 -10.4607 -10.4607 -8.9500 -8.9500 -8.9465 -8.9465 -8.6947 -8.6947 -8.6901 -8.6901 -8.6766 -8.6766 -8.6726 -8.6726 -0.7982 -0.7982 -0.5704 -0.5704 -0.5011 -0.5011 -0.3331 -0.3331 -0.2106 -0.2106 -0.1369 -0.1369 0.2843 0.2843 0.5786 0.5786 0.6468 0.6468 1.3340 1.3340 1.3589 1.3589 1.4670 1.4670 1.6270 1.6270 1.7650 1.7650 2.0541 2.0541 2.1153 2.1153 2.1596 2.1596 2.3593 2.3593 4.8581 4.8581 5.0456 5.0456 5.1557 5.1557 7.6647 7.6647 8.0905 8.0905 10.1572 10.1572 10.2827 10.2827 10.8377 10.8377 k = 0.5938 0.0180 0.3572 ( 9624 PWs) bands (ev): -57.2346 -57.2346 -33.0770 -33.0770 -30.5970 -30.5970 -30.5969 -30.5969 -25.3083 -25.3083 -25.3082 -25.3082 -11.2019 -11.2019 -10.7367 -10.7367 -10.6140 -10.6140 -10.5523 -10.5523 -10.5000 -10.5000 -10.4633 -10.4633 -8.9495 -8.9495 -8.9461 -8.9461 -8.6944 -8.6944 -8.6893 -8.6893 -8.6763 -8.6763 -8.6720 -8.6720 -0.8139 -0.8139 -0.5518 -0.5518 -0.4919 -0.4919 -0.3443 -0.3443 -0.2094 -0.2094 -0.1305 -0.1305 0.3099 0.3099 0.5737 0.5737 0.6427 0.6427 1.3422 1.3422 1.3686 1.3686 1.4862 1.4862 1.5950 1.5950 1.7290 1.7290 2.0391 2.0391 2.1094 2.1094 2.1445 2.1445 2.3706 2.3706 4.8511 4.8511 5.0588 5.0588 5.1678 5.1678 7.6327 7.6327 8.1013 8.1013 10.2074 10.2074 10.3314 10.3314 10.8112 10.8112 k = 0.6000-0.0000 0.3674 ( 9632 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5969 -30.5969 -25.3083 -25.3083 -25.3082 -25.3082 -11.2004 -11.2004 -10.7390 -10.7390 -10.6124 -10.6124 -10.5480 -10.5480 -10.5044 -10.5044 -10.4660 -10.4660 -8.9490 -8.9490 -8.9456 -8.9456 -8.6942 -8.6942 -8.6886 -8.6886 -8.6761 -8.6761 -8.6714 -8.6714 -0.8288 -0.8288 -0.5351 -0.5351 -0.4826 -0.4826 -0.3543 -0.3543 -0.2071 -0.2071 -0.1238 -0.1238 0.3327 0.3327 0.5702 0.5702 0.6375 0.6375 1.3501 1.3501 1.3793 1.3793 1.4988 1.4988 1.5646 1.5646 1.7009 1.7009 2.0241 2.0241 2.1033 2.1033 2.1296 2.1296 2.3823 2.3823 4.8433 4.8433 5.0714 5.0714 5.1793 5.1793 7.6024 7.6024 8.1126 8.1126 10.2560 10.2560 10.3785 10.3785 10.7823 10.7823 k = 0.6062-0.0180 0.3776 ( 9638 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5969 -30.5969 -25.3084 -25.3084 -25.3082 -25.3082 -11.1993 -11.1993 -10.7407 -10.7407 -10.6108 -10.6108 -10.5442 -10.5442 -10.5083 -10.5083 -10.4686 -10.4686 -8.9487 -8.9487 -8.9452 -8.9452 -8.6941 -8.6941 -8.6879 -8.6879 -8.6759 -8.6759 -8.6708 -8.6708 -0.8428 -0.8428 -0.5211 -0.5211 -0.4731 -0.4731 -0.3628 -0.3628 -0.2033 -0.2033 -0.1169 -0.1169 0.3518 0.3518 0.5687 0.5687 0.6310 0.6310 1.3573 1.3573 1.3910 1.3910 1.4990 1.4990 1.5373 1.5373 1.6860 1.6860 2.0096 2.0096 2.0955 2.0955 2.1168 2.1168 2.3942 2.3942 4.8349 4.8349 5.0831 5.0831 5.1899 5.1899 7.5741 7.5741 8.1243 8.1243 10.3009 10.3009 10.4221 10.4221 10.7534 10.7534 k = 0.6125-0.0361 0.3878 ( 9638 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5969 -30.5969 -25.3084 -25.3084 -25.3081 -25.3081 -11.1983 -11.1983 -10.7418 -10.7418 -10.6090 -10.6090 -10.5413 -10.5413 -10.5116 -10.5116 -10.4713 -10.4713 -8.9484 -8.9484 -8.9448 -8.9448 -8.6940 -8.6940 -8.6874 -8.6874 -8.6757 -8.6757 -8.6703 -8.6703 -0.8557 -0.8557 -0.5107 -0.5107 -0.4635 -0.4635 -0.3698 -0.3698 -0.1978 -0.1978 -0.1100 -0.1100 0.3667 0.3667 0.5697 0.5697 0.6233 0.6233 1.3632 1.3632 1.4033 1.4033 1.4849 1.4849 1.5142 1.5142 1.6872 1.6872 1.9957 1.9957 2.0843 2.0843 2.1079 2.1079 2.4063 2.4063 4.8261 4.8261 5.0938 5.0938 5.1995 5.1995 7.5481 7.5481 8.1364 8.1364 10.3386 10.3386 10.4594 10.4594 10.7283 10.7283 k = 0.6188-0.0541 0.3980 ( 9636 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5970 -30.5970 -25.3084 -25.3084 -25.3081 -25.3081 -11.1978 -11.1978 -10.7424 -10.7424 -10.6071 -10.6071 -10.5395 -10.5395 -10.5138 -10.5138 -10.4740 -10.4740 -8.9482 -8.9482 -8.9445 -8.9445 -8.6940 -8.6940 -8.6870 -8.6870 -8.6756 -8.6756 -8.6698 -8.6698 -0.8675 -0.8675 -0.5042 -0.5042 -0.4540 -0.4540 -0.3753 -0.3753 -0.1903 -0.1903 -0.1034 -0.1034 0.3770 0.3770 0.5729 0.5729 0.6148 0.6148 1.3662 1.3662 1.4146 1.4146 1.4652 1.4652 1.4933 1.4933 1.7013 1.7013 1.9829 1.9829 2.0706 2.0706 2.1025 2.1025 2.4184 2.4184 4.8169 4.8169 5.1033 5.1033 5.2080 5.2080 7.5246 7.5246 8.1487 8.1487 10.3631 10.3631 10.4880 10.4880 10.7134 10.7134 k = 0.6250-0.0722 0.4082 ( 9631 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5969 -30.5969 -25.3084 -25.3084 -25.3081 -25.3081 -11.1976 -11.1976 -10.7423 -10.7423 -10.6050 -10.6050 -10.5392 -10.5392 -10.5147 -10.5147 -10.4766 -10.4766 -8.9480 -8.9480 -8.9443 -8.9443 -8.6941 -8.6941 -8.6868 -8.6868 -8.6755 -8.6755 -8.6693 -8.6693 -0.8781 -0.8781 -0.5013 -0.5013 -0.4447 -0.4447 -0.3799 -0.3799 -0.1811 -0.1811 -0.0971 -0.0971 0.3828 0.3828 0.5772 0.5772 0.6064 0.6064 1.3640 1.3640 1.4196 1.4196 1.4513 1.4513 1.4771 1.4771 1.7227 1.7227 1.9715 1.9715 2.0562 2.0562 2.0991 2.0991 2.4304 2.4304 4.8076 4.8076 5.1115 5.1115 5.2152 5.2152 7.5040 7.5040 8.1611 8.1611 10.3660 10.3660 10.5093 10.5093 10.7129 10.7129 k = 0.6250-0.0722 0.4082 ( 9631 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5969 -30.5969 -25.3084 -25.3084 -25.3081 -25.3081 -11.1976 -11.1976 -10.7423 -10.7423 -10.6050 -10.6050 -10.5392 -10.5392 -10.5147 -10.5147 -10.4766 -10.4766 -8.9480 -8.9480 -8.9443 -8.9443 -8.6941 -8.6941 -8.6868 -8.6868 -8.6755 -8.6755 -8.6693 -8.6693 -0.8781 -0.8781 -0.5013 -0.5013 -0.4447 -0.4447 -0.3799 -0.3799 -0.1811 -0.1811 -0.0971 -0.0971 0.3828 0.3828 0.5772 0.5772 0.6064 0.6064 1.3640 1.3640 1.4196 1.4196 1.4513 1.4513 1.4771 1.4771 1.7227 1.7227 1.9715 1.9715 2.0562 2.0562 2.0991 2.0991 2.4304 2.4304 4.8076 4.8076 5.1115 5.1115 5.2152 5.2152 7.5040 7.5040 8.1611 8.1611 10.3660 10.3660 10.5093 10.5093 10.7129 10.7129 k = 0.6146-0.0662 0.4253 ( 9636 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5969 -30.5969 -25.3084 -25.3084 -25.3081 -25.3081 -11.1975 -11.1975 -10.7425 -10.7425 -10.6048 -10.6048 -10.5393 -10.5393 -10.5147 -10.5147 -10.4765 -10.4765 -8.9480 -8.9480 -8.9443 -8.9443 -8.6940 -8.6940 -8.6868 -8.6868 -8.6755 -8.6755 -8.6693 -8.6693 -0.8774 -0.8774 -0.5027 -0.5027 -0.4455 -0.4455 -0.3777 -0.3777 -0.1839 -0.1839 -0.0951 -0.0951 0.3841 0.3841 0.5769 0.5769 0.6059 0.6059 1.3626 1.3626 1.4167 1.4167 1.4516 1.4516 1.4823 1.4823 1.7233 1.7233 1.9672 1.9672 2.0612 2.0612 2.0965 2.0965 2.4292 2.4292 4.8089 4.8089 5.1097 5.1097 5.2162 5.2162 7.5046 7.5046 8.1601 8.1601 10.3684 10.3684 10.5112 10.5112 10.7143 10.7143 k = 0.6042-0.0601 0.4423 ( 9639 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5970 -30.5970 -25.3084 -25.3084 -25.3081 -25.3081 -11.1973 -11.1973 -10.7430 -10.7430 -10.6043 -10.6043 -10.5397 -10.5397 -10.5149 -10.5149 -10.4764 -10.4764 -8.9480 -8.9480 -8.9443 -8.9443 -8.6939 -8.6939 -8.6869 -8.6869 -8.6754 -8.6754 -8.6693 -8.6693 -0.8753 -0.8753 -0.5070 -0.5070 -0.4469 -0.4469 -0.3722 -0.3722 -0.1916 -0.1916 -0.0900 -0.0900 0.3880 0.3880 0.5758 0.5758 0.6044 0.6044 1.3587 1.3587 1.4096 1.4096 1.4539 1.4539 1.4947 1.4947 1.7252 1.7252 1.9565 1.9565 2.0738 2.0738 2.0889 2.0889 2.4258 2.4258 4.8129 4.8129 5.1045 5.1045 5.2189 5.2189 7.5062 7.5062 8.1572 8.1572 10.3754 10.3754 10.5169 10.5169 10.7183 10.7183 k = 0.5938-0.0541 0.4593 ( 9638 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5970 -30.5970 -25.3084 -25.3084 -25.3081 -25.3081 -11.1970 -11.1970 -10.7439 -10.7439 -10.6035 -10.6035 -10.5402 -10.5402 -10.5151 -10.5151 -10.4761 -10.4761 -8.9479 -8.9479 -8.9443 -8.9443 -8.6937 -8.6937 -8.6870 -8.6870 -8.6753 -8.6753 -8.6694 -8.6694 -0.8718 -0.8718 -0.5144 -0.5144 -0.4470 -0.4470 -0.3648 -0.3648 -0.2027 -0.2027 -0.0830 -0.0830 0.3944 0.3944 0.5741 0.5741 0.6020 0.6020 1.3530 1.3530 1.4008 1.4008 1.4583 1.4583 1.5108 1.5108 1.7282 1.7282 1.9430 1.9430 2.0757 2.0757 2.0915 2.0915 2.4202 2.4202 4.8195 4.8195 5.0965 5.0965 5.2229 5.2229 7.5089 7.5089 8.1525 8.1525 10.3869 10.3869 10.5262 10.5262 10.7247 10.7247 k = 0.5833-0.0481 0.4763 ( 9634 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5969 -30.5969 -25.3084 -25.3084 -25.3081 -25.3081 -11.1965 -11.1965 -10.7450 -10.7450 -10.6024 -10.6024 -10.5408 -10.5408 -10.5154 -10.5154 -10.4758 -10.4758 -8.9477 -8.9477 -8.9443 -8.9443 -8.6934 -8.6934 -8.6872 -8.6872 -8.6751 -8.6751 -8.6694 -8.6694 -0.8672 -0.8672 -0.5244 -0.5244 -0.4446 -0.4446 -0.3570 -0.3570 -0.2161 -0.2161 -0.0754 -0.0754 0.4032 0.4032 0.5717 0.5717 0.5986 0.5986 1.3464 1.3464 1.3920 1.3920 1.4640 1.4640 1.5289 1.5289 1.7322 1.7322 1.9287 1.9287 2.0587 2.0587 2.1106 2.1106 2.4123 2.4123 4.8284 4.8284 5.0864 5.0864 5.2275 5.2275 7.5124 7.5124 8.1463 8.1463 10.4028 10.4028 10.5391 10.5391 10.7332 10.7332 k = 0.5729-0.0421 0.4933 ( 9638 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5970 -30.5970 -25.3084 -25.3084 -25.3081 -25.3081 -11.1960 -11.1960 -10.7463 -10.7463 -10.6012 -10.6012 -10.5416 -10.5416 -10.5158 -10.5158 -10.4754 -10.4754 -8.9475 -8.9475 -8.9444 -8.9444 -8.6930 -8.6930 -8.6874 -8.6874 -8.6749 -8.6749 -8.6695 -8.6695 -0.8616 -0.8616 -0.5362 -0.5362 -0.4398 -0.4398 -0.3496 -0.3496 -0.2308 -0.2308 -0.0679 -0.0679 0.4142 0.4142 0.5685 0.5685 0.5943 0.5943 1.3396 1.3396 1.3837 1.3837 1.4704 1.4704 1.5483 1.5483 1.7369 1.7369 1.9146 1.9146 2.0376 2.0376 2.1310 2.1310 2.4024 2.4024 4.8394 4.8394 5.0745 5.0745 5.2323 5.2323 7.5165 7.5165 8.1389 8.1389 10.4228 10.4228 10.5550 10.5550 10.7433 10.7433 k = 0.5625-0.0361 0.5103 ( 9642 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5970 -30.5970 -25.3084 -25.3084 -25.3081 -25.3081 -11.1955 -11.1955 -10.7477 -10.7477 -10.5999 -10.5999 -10.5423 -10.5423 -10.5162 -10.5162 -10.4750 -10.4750 -8.9474 -8.9474 -8.9444 -8.9444 -8.6926 -8.6926 -8.6877 -8.6877 -8.6747 -8.6747 -8.6695 -8.6695 -0.8554 -0.8554 -0.5486 -0.5486 -0.4327 -0.4327 -0.3430 -0.3430 -0.2465 -0.2465 -0.0609 -0.0609 0.4272 0.4272 0.5645 0.5645 0.5893 0.5893 1.3330 1.3330 1.3763 1.3763 1.4771 1.4771 1.5684 1.5684 1.7420 1.7420 1.9015 1.9015 2.0135 2.0135 2.1522 2.1522 2.3905 2.3905 4.8521 4.8521 5.0615 5.0615 5.2369 5.2369 7.5210 7.5210 8.1309 8.1309 10.4467 10.4467 10.5737 10.5737 10.7543 10.7543 k = 0.5521-0.0301 0.5273 ( 9640 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5970 -30.5970 -25.3084 -25.3084 -25.3081 -25.3081 -11.1949 -11.1949 -10.7492 -10.7492 -10.5987 -10.5987 -10.5431 -10.5431 -10.5165 -10.5165 -10.4747 -10.4747 -8.9472 -8.9472 -8.9444 -8.9444 -8.6922 -8.6922 -8.6880 -8.6880 -8.6745 -8.6745 -8.6696 -8.6696 -0.8488 -0.8488 -0.5609 -0.5609 -0.4235 -0.4235 -0.3376 -0.3376 -0.2627 -0.2627 -0.0548 -0.0548 0.4418 0.4418 0.5596 0.5596 0.5835 0.5835 1.3272 1.3272 1.3698 1.3698 1.4838 1.4838 1.5890 1.5890 1.7468 1.7468 1.8896 1.8896 1.9875 1.9875 2.1737 2.1737 2.3767 2.3767 4.8661 4.8661 5.0477 5.0477 5.2410 5.2410 7.5256 7.5256 8.1227 8.1227 10.4739 10.4739 10.5943 10.5943 10.7651 10.7651 k = 0.5417-0.0241 0.5443 ( 9634 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5969 -30.5969 -25.3083 -25.3083 -25.3082 -25.3082 -11.1943 -11.1943 -10.7505 -10.7505 -10.5976 -10.5976 -10.5438 -10.5438 -10.5169 -10.5169 -10.4743 -10.4743 -8.9470 -8.9470 -8.9444 -8.9444 -8.6917 -8.6917 -8.6883 -8.6883 -8.6743 -8.6743 -8.6696 -8.6696 -0.8424 -0.8424 -0.5721 -0.5721 -0.4127 -0.4127 -0.3335 -0.3335 -0.2792 -0.2792 -0.0496 -0.0496 0.4577 0.4577 0.5540 0.5540 0.5771 0.5771 1.3222 1.3222 1.3644 1.3644 1.4903 1.4903 1.6096 1.6096 1.7505 1.7505 1.8793 1.8793 1.9612 1.9612 2.1953 2.1953 2.3613 2.3613 4.8808 4.8808 5.0335 5.0335 5.2446 5.2446 7.5300 7.5300 8.1149 8.1149 10.5040 10.5040 10.6158 10.6158 10.7743 10.7743 k = 0.5312-0.0180 0.5613 ( 9634 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5969 -30.5969 -25.3083 -25.3083 -25.3082 -25.3082 -11.1938 -11.1938 -10.7517 -10.7517 -10.5966 -10.5966 -10.5444 -10.5444 -10.5171 -10.5171 -10.4741 -10.4741 -8.9468 -8.9468 -8.9444 -8.9444 -8.6912 -8.6912 -8.6886 -8.6886 -8.6741 -8.6741 -8.6697 -8.6697 -0.8367 -0.8367 -0.5817 -0.5817 -0.4003 -0.4003 -0.3309 -0.3309 -0.2954 -0.2954 -0.0455 -0.0455 0.4745 0.4745 0.5476 0.5476 0.5703 0.5703 1.3182 1.3182 1.3601 1.3601 1.4962 1.4962 1.6296 1.6296 1.7517 1.7517 1.8708 1.8708 1.9371 1.9371 2.2167 2.2167 2.3445 2.3445 4.8957 4.8957 5.0195 5.0195 5.2474 5.2474 7.5338 7.5338 8.1081 8.1081 10.5362 10.5362 10.6362 10.6362 10.7797 10.7797 k = 0.5208-0.0120 0.5784 ( 9632 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5969 -30.5969 -25.3083 -25.3083 -25.3082 -25.3082 -11.1934 -11.1934 -10.7526 -10.7526 -10.5960 -10.5960 -10.5448 -10.5448 -10.5174 -10.5174 -10.4739 -10.4739 -8.9467 -8.9467 -8.9444 -8.9444 -8.6908 -8.6908 -8.6890 -8.6890 -8.6740 -8.6740 -8.6697 -8.6697 -0.8321 -0.8321 -0.5889 -0.5889 -0.3869 -0.3869 -0.3297 -0.3297 -0.3109 -0.3109 -0.0425 -0.0425 0.4914 0.4914 0.5407 0.5407 0.5631 0.5631 1.3153 1.3153 1.3570 1.3570 1.5013 1.5013 1.6481 1.6481 1.7490 1.7490 1.8645 1.8645 1.9179 1.9179 2.2377 2.2377 2.3268 2.3268 4.9096 4.9096 5.0064 5.0064 5.2495 5.2495 7.5368 7.5368 8.1027 8.1027 10.5698 10.5698 10.6520 10.6520 10.7793 10.7793 k = 0.5104-0.0060 0.5954 ( 9644 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5970 -30.5970 -25.3083 -25.3083 -25.3082 -25.3082 -11.1931 -11.1931 -10.7532 -10.7532 -10.5956 -10.5956 -10.5450 -10.5450 -10.5175 -10.5175 -10.4738 -10.4738 -8.9466 -8.9466 -8.9443 -8.9443 -8.6903 -8.6903 -8.6893 -8.6893 -8.6739 -8.6739 -8.6697 -8.6697 -0.8292 -0.8292 -0.5935 -0.5935 -0.3740 -0.3740 -0.3307 -0.3307 -0.3234 -0.3234 -0.0407 -0.0407 0.5067 0.5067 0.5340 0.5340 0.5563 0.5563 1.3136 1.3136 1.3551 1.3551 1.5050 1.5050 1.6628 1.6628 1.7431 1.7431 1.8605 1.8605 1.9062 1.9062 2.2570 2.2570 2.3093 2.3093 4.9205 4.9205 4.9961 4.9961 5.2508 5.2508 7.5387 7.5387 8.0992 8.0992 10.6036 10.6036 10.6555 10.6555 10.7739 10.7739 k = 0.5000 0.0000 0.6124 ( 9620 PWs) bands (ev): -57.2345 -57.2345 -33.0770 -33.0770 -30.5969 -30.5969 -30.5969 -30.5969 -25.3083 -25.3083 -25.3083 -25.3083 -11.1930 -11.1930 -10.7534 -10.7534 -10.5955 -10.5955 -10.5451 -10.5451 -10.5175 -10.5175 -10.4737 -10.4737 -8.9466 -8.9466 -8.9443 -8.9443 -8.6901 -8.6901 -8.6895 -8.6895 -8.6739 -8.6739 -8.6697 -8.6697 -0.8282 -0.8282 -0.5950 -0.5950 -0.3673 -0.3673 -0.3333 -0.3333 -0.3277 -0.3277 -0.0402 -0.0402 0.5143 0.5143 0.5310 0.5310 0.5525 0.5525 1.3131 1.3131 1.3545 1.3545 1.5065 1.5065 1.6691 1.6691 1.7392 1.7392 1.8591 1.8591 1.9025 1.9025 2.2679 2.2679 2.2989 2.2989 4.9249 4.9249 4.9920 4.9920 5.2512 5.2512 7.5393 7.5393 8.0980 8.0980 10.6337 10.6337 10.6392 10.6392 10.7709 10.7709 k = 0.5000 0.0000 0.6124 ( 9620 PWs) bands (ev): -57.2345 -57.2345 -33.0770 -33.0770 -30.5969 -30.5969 -30.5969 -30.5969 -25.3083 -25.3083 -25.3083 -25.3083 -11.1930 -11.1930 -10.7534 -10.7534 -10.5955 -10.5955 -10.5451 -10.5451 -10.5175 -10.5175 -10.4737 -10.4737 -8.9466 -8.9466 -8.9443 -8.9443 -8.6901 -8.6901 -8.6895 -8.6895 -8.6739 -8.6739 -8.6697 -8.6697 -0.8282 -0.8282 -0.5950 -0.5950 -0.3673 -0.3673 -0.3333 -0.3333 -0.3277 -0.3277 -0.0402 -0.0402 0.5143 0.5143 0.5310 0.5310 0.5525 0.5525 1.3131 1.3131 1.3545 1.3545 1.5065 1.5065 1.6691 1.6691 1.7392 1.7392 1.8591 1.8591 1.9025 1.9025 2.2679 2.2679 2.2989 2.2989 4.9249 4.9249 4.9920 4.9920 5.2512 5.2512 7.5393 7.5393 8.0980 8.0980 10.6337 10.6337 10.6392 10.6392 10.7709 10.7709 k = 0.5000 0.0126 0.5946 ( 9644 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5970 -30.5970 -25.3083 -25.3083 -25.3083 -25.3083 -11.1931 -11.1931 -10.7532 -10.7532 -10.5959 -10.5959 -10.5449 -10.5449 -10.5175 -10.5175 -10.4735 -10.4735 -8.9466 -8.9466 -8.9444 -8.9444 -8.6901 -8.6901 -8.6896 -8.6896 -8.6739 -8.6739 -8.6698 -8.6698 -0.8274 -0.8274 -0.5956 -0.5956 -0.3680 -0.3680 -0.3369 -0.3369 -0.3236 -0.3236 -0.0415 -0.0415 0.5038 0.5038 0.5336 0.5336 0.5594 0.5594 1.3142 1.3142 1.3557 1.3557 1.5051 1.5051 1.6668 1.6668 1.7380 1.7380 1.8620 1.8620 1.9070 1.9070 2.2678 2.2678 2.2988 2.2988 4.9247 4.9247 4.9918 4.9918 5.2501 5.2501 7.5412 7.5412 8.0976 8.0976 10.6158 10.6158 10.6298 10.6298 10.7882 10.7882 k = 0.5000 0.0251 0.5769 ( 9630 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5969 -30.5969 -25.3083 -25.3083 -25.3083 -25.3083 -11.1936 -11.1936 -10.7525 -10.7525 -10.5970 -10.5970 -10.5445 -10.5445 -10.5171 -10.5171 -10.4728 -10.4728 -8.9467 -8.9467 -8.9445 -8.9445 -8.6902 -8.6902 -8.6896 -8.6896 -8.6740 -8.6740 -8.6699 -8.6699 -0.8249 -0.8249 -0.5974 -0.5974 -0.3708 -0.3708 -0.3409 -0.3409 -0.3175 -0.3175 -0.0453 -0.0453 0.4841 0.4841 0.5366 0.5366 0.5731 0.5731 1.3166 1.3166 1.3600 1.3600 1.5012 1.5012 1.6584 1.6584 1.7378 1.7378 1.8696 1.8696 1.9196 1.9196 2.2675 2.2675 2.2985 2.2985 4.9243 4.9243 4.9913 4.9913 5.2470 5.2470 7.5469 7.5469 8.0964 8.0964 10.5716 10.5716 10.6091 10.6091 10.8239 10.8239 k = 0.5000 0.0377 0.5591 ( 9626 PWs) bands (ev): -57.2346 -57.2346 -33.0770 -33.0770 -30.5970 -30.5970 -30.5969 -30.5969 -25.3083 -25.3083 -25.3083 -25.3083 -11.1942 -11.1942 -10.7514 -10.7514 -10.5987 -10.5987 -10.5443 -10.5443 -10.5163 -10.5163 -10.4717 -10.4717 -8.9469 -8.9469 -8.9447 -8.9447 -8.6904 -8.6904 -8.6898 -8.6898 -8.6741 -8.6741 -8.6702 -8.6702 -0.8209 -0.8209 -0.6003 -0.6003 -0.3770 -0.3770 -0.3423 -0.3423 -0.3110 -0.3110 -0.0513 -0.0513 0.4613 0.4613 0.5401 0.5401 0.5874 0.5874 1.3181 1.3181 1.3691 1.3691 1.4961 1.4961 1.6420 1.6420 1.7432 1.7432 1.8803 1.8803 1.9381 1.9381 2.2669 2.2669 2.2981 2.2981 4.9236 4.9236 4.9904 4.9904 5.2417 5.2417 7.5562 7.5562 8.0946 8.0946 10.5184 10.5184 10.5779 10.5779 10.8626 10.8626 k = 0.5000 0.0502 0.5414 ( 9614 PWs) bands (ev): -57.2345 -57.2345 -33.0770 -33.0770 -30.5970 -30.5970 -30.5969 -30.5969 -25.3083 -25.3083 -25.3083 -25.3083 -11.1952 -11.1952 -10.7499 -10.7499 -10.6008 -10.6008 -10.5447 -10.5447 -10.5148 -10.5148 -10.4702 -10.4702 -8.9472 -8.9472 -8.9449 -8.9449 -8.6906 -8.6906 -8.6900 -8.6900 -8.6743 -8.6743 -8.6705 -8.6705 -0.8152 -0.8152 -0.6043 -0.6043 -0.3867 -0.3867 -0.3407 -0.3407 -0.3043 -0.3043 -0.0591 -0.0591 0.4366 0.4366 0.5445 0.5445 0.6006 0.6006 1.3174 1.3174 1.3825 1.3825 1.4918 1.4918 1.6193 1.6193 1.7546 1.7546 1.8936 1.8936 1.9599 1.9599 2.2660 2.2660 2.2976 2.2976 4.9225 4.9225 4.9893 4.9893 5.2345 5.2345 7.5692 7.5692 8.0920 8.0920 10.4614 10.4614 10.5386 10.5386 10.8992 10.8992 k = 0.5000 0.0628 0.5236 ( 9618 PWs) bands (ev): -57.2345 -57.2345 -33.0770 -33.0770 -30.5970 -30.5970 -30.5969 -30.5969 -25.3083 -25.3083 -25.3083 -25.3083 -11.1964 -11.1964 -10.7480 -10.7480 -10.6031 -10.6031 -10.5460 -10.5460 -10.5123 -10.5123 -10.4685 -10.4685 -8.9475 -8.9475 -8.9452 -8.9452 -8.6909 -8.6909 -8.6903 -8.6903 -8.6746 -8.6746 -8.6710 -8.6710 -0.8080 -0.8080 -0.6093 -0.6093 -0.3992 -0.3992 -0.3368 -0.3368 -0.2973 -0.2973 -0.0682 -0.0682 0.4103 0.4103 0.5498 0.5498 0.6124 0.6124 1.3149 1.3149 1.3966 1.3966 1.4919 1.4919 1.5929 1.5929 1.7704 1.7704 1.9091 1.9091 1.9833 1.9833 2.2648 2.2648 2.2971 2.2971 4.9210 4.9210 4.9880 4.9880 5.2254 5.2254 7.5856 7.5856 8.0887 8.0887 10.4028 10.4028 10.4936 10.4936 10.9320 10.9320 k = 0.5000 0.0753 0.5059 ( 9630 PWs) bands (ev): -57.2346 -57.2346 -33.0770 -33.0770 -30.5970 -30.5970 -30.5969 -30.5969 -25.3083 -25.3083 -25.3083 -25.3083 -11.1978 -11.1978 -10.7456 -10.7456 -10.6055 -10.6055 -10.5481 -10.5481 -10.5090 -10.5090 -10.4665 -10.4665 -8.9479 -8.9479 -8.9456 -8.9456 -8.6914 -8.6914 -8.6905 -8.6905 -8.6749 -8.6749 -8.6714 -8.6714 -0.7993 -0.7993 -0.6155 -0.6155 -0.4137 -0.4137 -0.3314 -0.3314 -0.2899 -0.2899 -0.0783 -0.0783 0.3828 0.3828 0.5557 0.5557 0.6225 0.6225 1.3114 1.3114 1.4056 1.4056 1.5006 1.5006 1.5655 1.5655 1.7892 1.7892 1.9264 1.9264 2.0072 2.0072 2.2631 2.2631 2.2967 2.2967 4.9191 4.9191 4.9864 4.9864 5.2145 5.2145 7.6052 7.6052 8.0849 8.0849 10.3436 10.3436 10.4450 10.4450 10.9600 10.9600 k = 0.5000 0.0879 0.4881 ( 9628 PWs) bands (ev): -57.2346 -57.2346 -33.0770 -33.0770 -30.5970 -30.5970 -30.5969 -30.5969 -25.3083 -25.3083 -25.3083 -25.3083 -11.1993 -11.1993 -10.7429 -10.7429 -10.6079 -10.6079 -10.5511 -10.5511 -10.5051 -10.5051 -10.4644 -10.4644 -8.9484 -8.9484 -8.9459 -8.9459 -8.6919 -8.6919 -8.6909 -8.6909 -8.6752 -8.6752 -8.6720 -8.6720 -0.7892 -0.7892 -0.6226 -0.6226 -0.4296 -0.4296 -0.3248 -0.3248 -0.2823 -0.2823 -0.0887 -0.0887 0.3541 0.3541 0.5623 0.5623 0.6309 0.6309 1.3075 1.3075 1.4065 1.4065 1.5137 1.5137 1.5447 1.5447 1.8104 1.8104 1.9452 1.9452 2.0307 2.0307 2.2609 2.2609 2.2966 2.2966 4.9168 4.9168 4.9847 4.9847 5.2022 5.2022 7.6277 7.6277 8.0805 8.0805 10.2848 10.2848 10.3942 10.3942 10.9829 10.9829 k = 0.5000 0.1004 0.4704 ( 9634 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5969 -30.5969 -25.3083 -25.3083 -25.3083 -25.3083 -11.2011 -11.2011 -10.7398 -10.7398 -10.6102 -10.6102 -10.5547 -10.5547 -10.5007 -10.5007 -10.4622 -10.4622 -8.9490 -8.9490 -8.9463 -8.9463 -8.6925 -8.6925 -8.6912 -8.6912 -8.6756 -8.6756 -8.6725 -8.6725 -0.7776 -0.7776 -0.6309 -0.6309 -0.4463 -0.4463 -0.3171 -0.3171 -0.2744 -0.2744 -0.0992 -0.0992 0.3245 0.3245 0.5692 0.5692 0.6377 0.6377 1.3035 1.3035 1.4016 1.4016 1.4982 1.4982 1.5610 1.5610 1.8334 1.8334 1.9651 1.9651 2.0535 2.0535 2.2582 2.2582 2.2968 2.2968 4.9139 4.9139 4.9828 4.9828 5.1886 5.1886 7.6529 7.6529 8.0756 8.0756 10.2268 10.2268 10.3424 10.3424 10.9899 10.9899 k = 0.5000 0.1130 0.4526 ( 9638 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5969 -30.5969 -25.3083 -25.3083 -25.3083 -25.3083 -11.2029 -11.2029 -10.7363 -10.7363 -10.6123 -10.6123 -10.5588 -10.5588 -10.4961 -10.4961 -10.4599 -10.4599 -8.9496 -8.9496 -8.9467 -8.9467 -8.6932 -8.6932 -8.6916 -8.6916 -8.6760 -8.6760 -8.6730 -8.6730 -0.7648 -0.7648 -0.6401 -0.6401 -0.4631 -0.4631 -0.3088 -0.3088 -0.2664 -0.2664 -0.1094 -0.1094 0.2942 0.2942 0.5763 0.5763 0.6430 0.6430 1.2997 1.2997 1.3940 1.3940 1.4707 1.4707 1.5945 1.5945 1.8579 1.8579 1.9856 1.9856 2.0751 2.0751 2.2549 2.2549 2.2974 2.2974 4.9104 4.9104 4.9809 4.9809 5.1739 5.1739 7.6805 7.6805 8.0703 8.0703 10.1703 10.1703 10.2905 10.2905 10.9843 10.9843 k = 0.5000 0.1255 0.4349 ( 9636 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5969 -30.5969 -25.3083 -25.3083 -25.3083 -25.3083 -11.2049 -11.2049 -10.7324 -10.7324 -10.6143 -10.6143 -10.5634 -10.5634 -10.4915 -10.4915 -10.4576 -10.4576 -8.9503 -8.9503 -8.9471 -8.9471 -8.6940 -8.6940 -8.6919 -8.6919 -8.6764 -8.6764 -8.6735 -8.6735 -0.7508 -0.7508 -0.6505 -0.6505 -0.4796 -0.4796 -0.2998 -0.2998 -0.2584 -0.2584 -0.1192 -0.1192 0.2633 0.2633 0.5836 0.5836 0.6468 0.6468 1.2960 1.2960 1.3852 1.3852 1.4429 1.4429 1.6316 1.6316 1.8836 1.8836 2.0063 2.0063 2.0953 2.0953 2.2511 2.2511 2.2985 2.2985 4.9064 4.9064 4.9789 4.9789 5.1586 5.1586 7.7099 7.7099 8.0648 8.0648 10.1158 10.1158 10.2395 10.2395 10.9779 10.9780 k = 0.5000 0.1381 0.4171 ( 9638 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5969 -30.5969 -25.3083 -25.3083 -25.3083 -25.3083 -11.2068 -11.2068 -10.7283 -10.7283 -10.6160 -10.6160 -10.5683 -10.5683 -10.4870 -10.4870 -10.4552 -10.4552 -8.9511 -8.9511 -8.9475 -8.9475 -8.6949 -8.6949 -8.6923 -8.6923 -8.6768 -8.6768 -8.6740 -8.6740 -0.7358 -0.7358 -0.6618 -0.6618 -0.4952 -0.4952 -0.2903 -0.2903 -0.2504 -0.2504 -0.1283 -0.1283 0.2321 0.2321 0.5908 0.5908 0.6493 0.6493 1.2924 1.2924 1.3761 1.3761 1.4164 1.4164 1.6696 1.6696 1.9104 1.9104 2.0269 2.0269 2.1140 2.1140 2.2468 2.2468 2.3001 2.3001 4.9017 4.9017 4.9768 4.9768 5.1429 5.1429 7.7408 7.7408 8.0590 8.0590 10.0636 10.0636 10.1898 10.1898 10.9714 10.9714 k = 0.5000 0.1506 0.3994 ( 9632 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5969 -30.5969 -25.3083 -25.3083 -25.3083 -25.3083 -11.2088 -11.2088 -10.7239 -10.7239 -10.6176 -10.6176 -10.5735 -10.5735 -10.4827 -10.4827 -10.4527 -10.4527 -8.9518 -8.9518 -8.9479 -8.9479 -8.6958 -8.6958 -8.6927 -8.6927 -8.6772 -8.6772 -8.6744 -8.6744 -0.7198 -0.7198 -0.6739 -0.6739 -0.5096 -0.5096 -0.2807 -0.2807 -0.2427 -0.2427 -0.1368 -0.1368 0.2007 0.2007 0.5978 0.5978 0.6506 0.6506 1.2884 1.2884 1.3671 1.3671 1.3921 1.3921 1.7069 1.7069 1.9381 1.9381 2.0470 2.0470 2.1310 2.1310 2.2421 2.2421 2.3023 2.3023 4.8963 4.8963 4.9746 4.9746 5.1274 5.1274 7.7726 7.7726 8.0532 8.0532 10.0141 10.0141 10.1422 10.1422 10.9648 10.9648 k = 0.5000 0.1632 0.3816 ( 9628 PWs) bands (ev): -57.2346 -57.2346 -33.0770 -33.0770 -30.5970 -30.5970 -30.5969 -30.5969 -25.3083 -25.3083 -25.3083 -25.3083 -11.2108 -11.2108 -10.7192 -10.7192 -10.6189 -10.6189 -10.5789 -10.5789 -10.4786 -10.4786 -10.4503 -10.4503 -8.9525 -8.9525 -8.9482 -8.9482 -8.6967 -8.6967 -8.6932 -8.6932 -8.6776 -8.6776 -8.6747 -8.6747 -0.7035 -0.7035 -0.6864 -0.6864 -0.5225 -0.5225 -0.2709 -0.2709 -0.2354 -0.2354 -0.1443 -0.1443 0.1696 0.1696 0.6046 0.6046 0.6511 0.6511 1.2834 1.2834 1.3578 1.3578 1.3714 1.3714 1.7427 1.7427 1.9664 1.9664 2.0664 2.0664 2.1462 2.1462 2.2372 2.2372 2.3050 2.3050 4.8904 4.8904 4.9721 4.9721 5.1125 5.1125 7.8049 7.8049 8.0474 8.0474 9.9678 9.9678 10.0970 10.0970 10.9586 10.9586 k = 0.5000 0.1757 0.3639 ( 9632 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5969 -30.5969 -25.3083 -25.3083 -25.3083 -25.3083 -11.2127 -11.2127 -10.7143 -10.7143 -10.6201 -10.6201 -10.5845 -10.5845 -10.4749 -10.4749 -10.4479 -10.4479 -8.9533 -8.9533 -8.9486 -8.9486 -8.6976 -8.6976 -8.6936 -8.6936 -8.6781 -8.6781 -8.6750 -8.6750 -0.7007 -0.7007 -0.6853 -0.6853 -0.5338 -0.5338 -0.2613 -0.2613 -0.2286 -0.2286 -0.1508 -0.1508 0.1389 0.1389 0.6110 0.6110 0.6507 0.6507 1.2765 1.2765 1.3473 1.3473 1.3568 1.3568 1.7760 1.7760 1.9948 1.9948 2.0848 2.0848 2.1595 2.1595 2.2321 2.2321 2.3082 2.3082 4.8839 4.8839 4.9694 4.9694 5.0985 5.0985 7.8369 7.8369 8.0417 8.0417 9.9249 9.9249 10.0548 10.0548 10.9529 10.9529 k = 0.5000 0.1883 0.3461 ( 9636 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5969 -30.5969 -25.3083 -25.3083 -25.3083 -25.3083 -11.2145 -11.2145 -10.7092 -10.7092 -10.6211 -10.6211 -10.5902 -10.5902 -10.4716 -10.4716 -10.4456 -10.4456 -8.9540 -8.9540 -8.9489 -8.9489 -8.6986 -8.6986 -8.6940 -8.6940 -8.6785 -8.6785 -8.6753 -8.6753 -0.7135 -0.7135 -0.6684 -0.6684 -0.5435 -0.5435 -0.2520 -0.2520 -0.2226 -0.2226 -0.1561 -0.1561 0.1091 0.1091 0.6169 0.6169 0.6497 0.6497 1.2668 1.2668 1.3369 1.3369 1.3479 1.3479 1.8066 1.8066 2.0227 2.0227 2.1018 2.1018 2.1711 2.1711 2.2271 2.2271 2.3118 2.3118 4.8769 4.8769 4.9665 4.9665 5.0859 5.0859 7.8682 7.8682 8.0362 8.0362 9.8858 9.8858 10.0159 10.0159 10.9479 10.9479 k = 0.5000 0.2008 0.3284 ( 9642 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5969 -30.5969 -25.3083 -25.3083 -25.3083 -25.3083 -11.2162 -11.2162 -10.7040 -10.7040 -10.6219 -10.6219 -10.5959 -10.5959 -10.4688 -10.4688 -10.4433 -10.4433 -8.9547 -8.9547 -8.9492 -8.9492 -8.6994 -8.6994 -8.6943 -8.6943 -8.6788 -8.6788 -8.6755 -8.6755 -0.7261 -0.7261 -0.6513 -0.6513 -0.5517 -0.5517 -0.2432 -0.2432 -0.2176 -0.2176 -0.1602 -0.1602 0.0804 0.0804 0.6222 0.6222 0.6484 0.6484 1.2549 1.2549 1.3296 1.3296 1.3412 1.3412 1.8340 1.8340 2.0492 2.0492 2.1171 2.1171 2.1812 2.1812 2.2223 2.2223 2.3157 2.3157 4.8696 4.8696 4.9633 4.9633 5.0750 5.0750 7.8980 7.8980 8.0311 8.0311 9.8506 9.8506 9.9807 9.9807 10.9437 10.9437 k = 0.5000 0.2134 0.3106 ( 9638 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5969 -30.5969 -25.3083 -25.3083 -25.3083 -25.3083 -11.2177 -11.2177 -10.6988 -10.6988 -10.6226 -10.6226 -10.6016 -10.6016 -10.4663 -10.4663 -10.4412 -10.4412 -8.9553 -8.9553 -8.9495 -8.9495 -8.7002 -8.7002 -8.6947 -8.6947 -8.6792 -8.6792 -8.6757 -8.6757 -0.7379 -0.7379 -0.6348 -0.6348 -0.5584 -0.5584 -0.2350 -0.2350 -0.2137 -0.2137 -0.1628 -0.1628 0.0534 0.0534 0.6269 0.6269 0.6468 0.6468 1.2420 1.2420 1.3253 1.3253 1.3358 1.3358 1.8582 1.8582 2.0735 2.0735 2.1301 2.1301 2.1902 2.1902 2.2180 2.2180 2.3197 2.3197 4.8622 4.8622 4.9600 4.9600 5.0659 5.0659 7.9256 7.9256 8.0264 8.0264 9.8197 9.8197 9.9495 9.9495 10.9405 10.9405 k = 0.5000 0.2259 0.2929 ( 9640 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5969 -30.5969 -25.3083 -25.3083 -25.3083 -25.3083 -11.2190 -11.2190 -10.6937 -10.6937 -10.6231 -10.6231 -10.6071 -10.6071 -10.4642 -10.4642 -10.4393 -10.4393 -8.9558 -8.9558 -8.9497 -8.9497 -8.7010 -8.7010 -8.6950 -8.6950 -8.6795 -8.6795 -8.6758 -8.6758 -0.7484 -0.7484 -0.6195 -0.6195 -0.5637 -0.5637 -0.2277 -0.2277 -0.2110 -0.2110 -0.1639 -0.1639 0.0287 0.0287 0.6310 0.6310 0.6452 0.6452 1.2295 1.2295 1.3231 1.3231 1.3313 1.3313 1.8790 1.8790 2.0948 2.0948 2.1403 2.1403 2.1988 2.1988 2.2144 2.2144 2.3236 2.3236 4.8551 4.8551 4.9567 4.9567 5.0586 5.0586 7.9504 7.9504 8.0223 8.0223 9.7932 9.7932 9.9226 9.9226 10.9381 10.9381 k = 0.5000 0.2385 0.2751 ( 9638 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5969 -30.5969 -25.3083 -25.3083 -25.3083 -25.3083 -11.2201 -11.2201 -10.6889 -10.6889 -10.6235 -10.6235 -10.6123 -10.6123 -10.4626 -10.4626 -10.4377 -10.4377 -8.9563 -8.9563 -8.9499 -8.9499 -8.7016 -8.7016 -8.6953 -8.6953 -8.6797 -8.6797 -8.6759 -8.6759 -0.7575 -0.7575 -0.6060 -0.6060 -0.5676 -0.5676 -0.2215 -0.2215 -0.2094 -0.2094 -0.1639 -0.1639 0.0068 0.0068 0.6344 0.6344 0.6437 0.6437 1.2184 1.2184 1.3220 1.3220 1.3277 1.3277 1.8964 1.8964 2.1126 2.1126 2.1473 2.1473 2.2070 2.2070 2.2117 2.2117 2.3272 2.3272 4.8485 4.8485 4.9536 4.9536 5.0530 5.0530 7.9717 7.9717 8.0188 8.0188 9.7713 9.7713 9.9003 9.9003 10.9366 10.9366 k = 0.5000 0.2510 0.2574 ( 9644 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5970 -30.5970 -25.3083 -25.3083 -25.3083 -25.3083 -11.2210 -11.2210 -10.6845 -10.6845 -10.6239 -10.6239 -10.6169 -10.6169 -10.4613 -10.4613 -10.4364 -10.4364 -8.9566 -8.9566 -8.9501 -8.9501 -8.7021 -8.7021 -8.6955 -8.6955 -8.6799 -8.6799 -8.6760 -8.6760 -0.7648 -0.7648 -0.5952 -0.5952 -0.5700 -0.5700 -0.2166 -0.2166 -0.2085 -0.2085 -0.1630 -0.1630 -0.0115 -0.0115 0.6370 0.6370 0.6423 0.6423 1.2093 1.2093 1.3215 1.3215 1.3250 1.3250 1.9102 1.9102 2.1266 2.1266 2.1513 2.1513 2.2096 2.2096 2.2150 2.2150 2.3303 2.3303 4.8428 4.8428 4.9510 4.9510 5.0489 5.0489 7.9889 7.9889 8.0161 8.0161 9.7541 9.7541 9.8826 9.8826 10.9356 10.9357 k = 0.5000 0.2636 0.2396 ( 9638 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5970 -30.5970 -25.3083 -25.3083 -25.3083 -25.3083 -11.2217 -11.2217 -10.6808 -10.6808 -10.6241 -10.6241 -10.6207 -10.6207 -10.4604 -10.4604 -10.4354 -10.4354 -8.9569 -8.9569 -8.9502 -8.9502 -8.7025 -8.7025 -8.6956 -8.6956 -8.6800 -8.6800 -8.6760 -8.6760 -0.7702 -0.7702 -0.5880 -0.5880 -0.5705 -0.5705 -0.2133 -0.2133 -0.2077 -0.2077 -0.1619 -0.1619 -0.0255 -0.0255 0.6388 0.6388 0.6414 0.6414 1.2026 1.2026 1.3210 1.3210 1.3234 1.3234 1.9203 1.9203 2.1366 2.1366 2.1531 2.1531 2.2082 2.2082 2.2216 2.2216 2.3326 2.3326 4.8385 4.8385 4.9490 4.9490 5.0462 5.0462 8.0014 8.0014 8.0142 8.0142 9.7417 9.7417 9.8699 9.8699 10.9348 10.9377 k = 0.5000 0.2761 0.2219 ( 9636 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5969 -30.5969 -25.3083 -25.3083 -25.3083 -25.3083 -11.2221 -11.2221 -10.6784 -10.6784 -10.6243 -10.6243 -10.6232 -10.6232 -10.4599 -10.4599 -10.4348 -10.4348 -8.9571 -8.9571 -8.9503 -8.9503 -8.7027 -8.7027 -8.6957 -8.6957 -8.6801 -8.6801 -8.6761 -8.6761 -0.7734 -0.7734 -0.5847 -0.5847 -0.5695 -0.5695 -0.2118 -0.2118 -0.2068 -0.2068 -0.1610 -0.1610 -0.0343 -0.0343 0.6396 0.6396 0.6410 0.6410 1.1985 1.1985 1.3206 1.3206 1.3227 1.3227 1.9264 1.9264 2.1427 2.1427 2.1537 2.1537 2.2074 2.2074 2.2260 2.2260 2.3340 2.3340 4.8358 4.8358 4.9478 4.9478 5.0446 5.0446 8.0085 8.0085 8.0137 8.0137 9.7342 9.7342 9.8622 9.8622 10.9336 10.9337 k = 0.5000 0.2887 0.2041 ( 9684 PWs) bands (ev): -57.2348 -57.2348 -33.0771 -33.0771 -30.5970 -30.5970 -30.5970 -30.5970 -25.3083 -25.3083 -25.3083 -25.3083 -11.2222 -11.2222 -10.6775 -10.6775 -10.6245 -10.6245 -10.6239 -10.6239 -10.4597 -10.4597 -10.4346 -10.4346 -8.9571 -8.9571 -8.9503 -8.9503 -8.7028 -8.7028 -8.6958 -8.6958 -8.6802 -8.6802 -8.6761 -8.6761 -0.7745 -0.7745 -0.5840 -0.5840 -0.5688 -0.5688 -0.2114 -0.2114 -0.2064 -0.2064 -0.1606 -0.1606 -0.0373 -0.0373 0.6397 0.6397 0.6411 0.6411 1.1971 1.1971 1.3203 1.3203 1.3225 1.3225 1.9285 1.9285 2.1447 2.1447 2.1539 2.1539 2.2071 2.2071 2.2275 2.2275 2.3345 2.3345 4.8348 4.8348 4.9474 4.9474 5.0441 5.0441 8.0101 8.0101 8.0143 8.0143 9.7318 9.7318 9.8596 9.8596 10.9329 10.9335 k = 0.5000 0.2887 0.2041 ( 9684 PWs) bands (ev): -57.2348 -57.2348 -33.0771 -33.0771 -30.5970 -30.5970 -30.5970 -30.5970 -25.3083 -25.3083 -25.3083 -25.3083 -11.2222 -11.2222 -10.6775 -10.6775 -10.6245 -10.6245 -10.6239 -10.6239 -10.4597 -10.4597 -10.4346 -10.4346 -8.9571 -8.9571 -8.9503 -8.9503 -8.7028 -8.7028 -8.6958 -8.6958 -8.6802 -8.6802 -8.6761 -8.6761 -0.7745 -0.7745 -0.5840 -0.5840 -0.5688 -0.5688 -0.2114 -0.2114 -0.2064 -0.2064 -0.1606 -0.1606 -0.0373 -0.0373 0.6397 0.6397 0.6411 0.6411 1.1971 1.1971 1.3203 1.3203 1.3225 1.3225 1.9285 1.9285 2.1447 2.1447 2.1539 2.1539 2.2071 2.2071 2.2275 2.2275 2.3345 2.3345 4.8348 4.8348 4.9474 4.9474 5.0441 5.0441 8.0101 8.0101 8.0143 8.0143 9.7318 9.7318 9.8596 9.8596 10.9330 10.9352 k = 0.4938 0.2851 0.2245 ( 9638 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5969 -30.5969 -25.3083 -25.3083 -25.3083 -25.3083 -11.2221 -11.2221 -10.6784 -10.6784 -10.6243 -10.6243 -10.6232 -10.6232 -10.4599 -10.4599 -10.4348 -10.4348 -8.9571 -8.9571 -8.9503 -8.9503 -8.7027 -8.7027 -8.6957 -8.6957 -8.6801 -8.6801 -8.6761 -8.6761 -0.7734 -0.7734 -0.5847 -0.5847 -0.5695 -0.5695 -0.2118 -0.2118 -0.2068 -0.2068 -0.1610 -0.1610 -0.0343 -0.0343 0.6396 0.6396 0.6410 0.6410 1.1984 1.1984 1.3205 1.3205 1.3227 1.3227 1.9264 1.9264 2.1427 2.1427 2.1537 2.1537 2.2074 2.2074 2.2260 2.2260 2.3340 2.3340 4.8357 4.8357 4.9478 4.9478 5.0446 5.0446 8.0085 8.0085 8.0137 8.0137 9.7342 9.7342 9.8622 9.8622 10.9336 10.9347 k = 0.4875 0.2815 0.2449 ( 9637 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5970 -30.5970 -25.3083 -25.3083 -25.3083 -25.3083 -11.2217 -11.2217 -10.6808 -10.6808 -10.6241 -10.6241 -10.6208 -10.6208 -10.4604 -10.4604 -10.4354 -10.4354 -8.9569 -8.9569 -8.9502 -8.9502 -8.7025 -8.7025 -8.6956 -8.6956 -8.6800 -8.6800 -8.6760 -8.6760 -0.7702 -0.7702 -0.5880 -0.5880 -0.5705 -0.5705 -0.2133 -0.2133 -0.2076 -0.2076 -0.1619 -0.1619 -0.0256 -0.0256 0.6388 0.6388 0.6414 0.6414 1.2025 1.2025 1.3210 1.3210 1.3234 1.3234 1.9203 1.9203 2.1366 2.1366 2.1532 2.1532 2.2082 2.2082 2.2217 2.2217 2.3326 2.3326 4.8384 4.8384 4.9490 4.9490 5.0462 5.0462 8.0015 8.0015 8.0142 8.0142 9.7416 9.7416 9.8698 9.8698 10.9347 10.9354 k = 0.4813 0.2778 0.2654 ( 9642 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5970 -30.5970 -25.3083 -25.3083 -25.3083 -25.3083 -11.2210 -11.2210 -10.6844 -10.6844 -10.6239 -10.6239 -10.6170 -10.6170 -10.4613 -10.4613 -10.4363 -10.4363 -8.9566 -8.9566 -8.9501 -8.9501 -8.7021 -8.7021 -8.6955 -8.6955 -8.6799 -8.6799 -8.6760 -8.6760 -0.7649 -0.7649 -0.5950 -0.5950 -0.5701 -0.5701 -0.2168 -0.2168 -0.2082 -0.2082 -0.1631 -0.1631 -0.0117 -0.0117 0.6370 0.6370 0.6423 0.6423 1.2092 1.2092 1.3214 1.3214 1.3251 1.3251 1.9104 1.9104 2.1263 2.1263 2.1519 2.1519 2.2085 2.2085 2.2159 2.2159 2.3303 2.3303 4.8427 4.8427 4.9510 4.9510 5.0489 5.0489 7.9890 7.9890 8.0161 8.0161 9.7539 9.7539 9.8824 9.8824 10.9351 10.9352 k = 0.4750 0.2742 0.2858 ( 9635 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5969 -30.5969 -25.3083 -25.3083 -25.3083 -25.3083 -11.2201 -11.2201 -10.6888 -10.6888 -10.6236 -10.6236 -10.6123 -10.6123 -10.4626 -10.4626 -10.4377 -10.4377 -8.9563 -8.9563 -8.9499 -8.9499 -8.7016 -8.7016 -8.6953 -8.6953 -8.6797 -8.6797 -8.6759 -8.6759 -0.7577 -0.7577 -0.6055 -0.6055 -0.5679 -0.5679 -0.2222 -0.2222 -0.2083 -0.2083 -0.1642 -0.1642 0.0065 0.0065 0.6344 0.6344 0.6437 0.6437 1.2183 1.2183 1.3216 1.3216 1.3280 1.3280 1.8967 1.8967 2.1115 2.1115 2.1496 2.1496 2.2034 2.2034 2.2145 2.2145 2.3274 2.3274 4.8482 4.8482 4.9538 4.9538 5.0529 5.0529 7.9718 7.9718 8.0190 8.0190 9.7709 9.7709 9.8999 9.8999 10.9348 10.9348 k = 0.4688 0.2706 0.3062 ( 9633 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5969 -30.5969 -25.3083 -25.3083 -25.3083 -25.3083 -11.2190 -11.2190 -10.6936 -10.6936 -10.6232 -10.6232 -10.6071 -10.6071 -10.4642 -10.4642 -10.4393 -10.4393 -8.9558 -8.9558 -8.9497 -8.9497 -8.7010 -8.7010 -8.6950 -8.6950 -8.6795 -8.6795 -8.6758 -8.6758 -0.7489 -0.7489 -0.6182 -0.6182 -0.5645 -0.5645 -0.2293 -0.2293 -0.2084 -0.2084 -0.1648 -0.1648 0.0282 0.0282 0.6310 0.6310 0.6453 0.6453 1.2294 1.2294 1.3220 1.3220 1.3321 1.3321 1.8797 1.8797 2.0919 2.0919 2.1460 2.1460 2.1940 2.1940 2.2165 2.2165 2.3241 2.3241 4.8545 4.8545 4.9572 4.9572 5.0582 5.0582 7.9504 7.9504 8.0226 8.0226 9.7927 9.7927 9.9221 9.9221 10.9340 10.9340 k = 0.4625 0.2670 0.3266 ( 9637 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5969 -30.5969 -25.3083 -25.3083 -25.3083 -25.3083 -11.2177 -11.2177 -10.6987 -10.6987 -10.6227 -10.6227 -10.6016 -10.6016 -10.4662 -10.4662 -10.4412 -10.4412 -8.9553 -8.9553 -8.9495 -8.9495 -8.7003 -8.7003 -8.6947 -8.6947 -8.6792 -8.6792 -8.6757 -8.6757 -0.7392 -0.7392 -0.6319 -0.6319 -0.5600 -0.5600 -0.2379 -0.2379 -0.2084 -0.2084 -0.1649 -0.1649 0.0528 0.0528 0.6269 0.6269 0.6470 0.6470 1.2422 1.2422 1.3227 1.3227 1.3377 1.3377 1.8596 1.8596 2.0674 2.0674 2.1412 2.1412 2.1835 2.1835 2.2187 2.2187 2.3210 2.3210 4.8609 4.8609 4.9616 4.9616 5.0650 5.0650 7.9254 7.9254 8.0272 8.0272 9.8189 9.8189 9.9488 9.9488 10.9323 10.9323 k = 0.4562 0.2634 0.3470 ( 9635 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5969 -30.5969 -25.3083 -25.3083 -25.3083 -25.3083 -11.2162 -11.2162 -10.7038 -10.7038 -10.6222 -10.6222 -10.5959 -10.5959 -10.4687 -10.4687 -10.4433 -10.4433 -8.9547 -8.9547 -8.9492 -8.9492 -8.6995 -8.6995 -8.6943 -8.6943 -8.6789 -8.6789 -8.6755 -8.6755 -0.7299 -0.7299 -0.6445 -0.6445 -0.5547 -0.5547 -0.2479 -0.2479 -0.2086 -0.2086 -0.1641 -0.1641 0.0796 0.0796 0.6221 0.6221 0.6487 0.6487 1.2560 1.2560 1.3239 1.3239 1.3451 1.3451 1.8367 1.8367 2.0385 2.0385 2.1351 2.1351 2.1729 2.1729 2.2199 2.2199 2.3188 2.3188 4.8666 4.8666 4.9672 4.9672 5.0733 5.0733 7.8973 7.8973 8.0325 8.0325 9.8496 9.8496 9.9797 9.9797 10.9294 10.9294 k = 0.4500 0.2598 0.3674 ( 9653 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5970 -30.5970 -25.3083 -25.3083 -25.3083 -25.3083 -11.2146 -11.2146 -10.7089 -10.7089 -10.6215 -10.6215 -10.5901 -10.5901 -10.4715 -10.4715 -10.4455 -10.4455 -8.9540 -8.9540 -8.9489 -8.9489 -8.6986 -8.6986 -8.6939 -8.6939 -8.6785 -8.6785 -8.6753 -8.6753 -0.7240 -0.7240 -0.6529 -0.6529 -0.5486 -0.5486 -0.2589 -0.2589 -0.2089 -0.2089 -0.1626 -0.1626 0.1079 0.1079 0.6167 0.6167 0.6502 0.6502 1.2701 1.2701 1.3257 1.3257 1.3548 1.3548 1.8113 1.8113 2.0055 2.0055 2.1276 2.1276 2.1624 2.1624 2.2191 2.2191 2.3182 2.3182 4.8710 4.8710 4.9744 4.9744 5.0829 5.0829 7.8668 7.8668 8.0386 8.0386 9.8843 9.8843 10.0146 10.0146 10.9248 10.9248 k = 0.4437 0.2562 0.3878 ( 9639 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5969 -30.5969 -25.3083 -25.3083 -25.3083 -25.3083 -11.2128 -11.2128 -10.7138 -10.7138 -10.6208 -10.6208 -10.5843 -10.5843 -10.4748 -10.4748 -10.4479 -10.4479 -8.9533 -8.9533 -8.9486 -8.9486 -8.6978 -8.6978 -8.6934 -8.6934 -8.6782 -8.6782 -8.6750 -8.6750 -0.7256 -0.7256 -0.6525 -0.6525 -0.5419 -0.5419 -0.2707 -0.2707 -0.2094 -0.2094 -0.1602 -0.1602 0.1374 0.1374 0.6107 0.6107 0.6514 0.6514 1.2837 1.2837 1.3283 1.3283 1.3674 1.3674 1.7837 1.7837 1.9691 1.9691 2.1187 2.1187 2.1525 2.1525 2.2155 2.2155 2.3199 2.3199 4.8735 4.8735 4.9833 4.9833 5.0937 5.0937 7.8344 7.8344 8.0455 8.0455 9.9228 9.9228 10.0530 10.0530 10.9181 10.9181 k = 0.4375 0.2526 0.4082 ( 9632 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5969 -30.5969 -25.3083 -25.3083 -25.3082 -25.3082 -11.2109 -11.2109 -10.7185 -10.7185 -10.6199 -10.6199 -10.5785 -10.5785 -10.4784 -10.4784 -10.4504 -10.4504 -8.9526 -8.9526 -8.9482 -8.9482 -8.6970 -8.6970 -8.6929 -8.6929 -8.6778 -8.6778 -8.6747 -8.6747 -0.7353 -0.7353 -0.6428 -0.6428 -0.5346 -0.5346 -0.2831 -0.2831 -0.2099 -0.2099 -0.1570 -0.1570 0.1675 0.1675 0.6044 0.6044 0.6521 0.6521 1.2960 1.2960 1.3320 1.3320 1.3832 1.3832 1.7544 1.7544 1.9300 1.9300 2.1082 2.1082 2.1434 2.1434 2.2089 2.2089 2.3242 2.3242 4.8739 4.8739 4.9938 4.9938 5.1054 5.1054 7.8008 7.8008 8.0531 8.0531 9.9649 9.9649 10.0946 10.0946 10.9087 10.9087 k = 0.4313 0.2490 0.4287 ( 9641 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5969 -30.5969 -25.3083 -25.3083 -25.3082 -25.3082 -11.2090 -11.2090 -10.7229 -10.7229 -10.6189 -10.6189 -10.5729 -10.5729 -10.4823 -10.4823 -10.4529 -10.4529 -8.9519 -8.9519 -8.9478 -8.9478 -8.6962 -8.6962 -8.6923 -8.6923 -8.6775 -8.6775 -8.6743 -8.6743 -0.7495 -0.7495 -0.6274 -0.6274 -0.5268 -0.5268 -0.2958 -0.2958 -0.2105 -0.2105 -0.1530 -0.1530 0.1977 0.1977 0.5977 0.5977 0.6522 0.6522 1.3070 1.3070 1.3368 1.3368 1.4019 1.4019 1.7236 1.7236 1.8890 1.8890 2.0963 2.0963 2.1352 2.1352 2.1994 2.1994 2.3307 2.3307 4.8723 4.8723 5.0058 5.0058 5.1177 5.1177 7.7665 7.7665 8.0615 8.0615 10.0099 10.0099 10.1390 10.1390 10.8963 10.8963 k = 0.4250 0.2454 0.4491 ( 9647 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5970 -30.5970 -25.3083 -25.3083 -25.3082 -25.3082 -11.2071 -11.2071 -10.7270 -10.7270 -10.6179 -10.6179 -10.5674 -10.5674 -10.4865 -10.4865 -10.4555 -10.4555 -8.9512 -8.9512 -8.9474 -8.9474 -8.6956 -8.6956 -8.6916 -8.6916 -8.6771 -8.6771 -8.6738 -8.6738 -0.7655 -0.7655 -0.6093 -0.6093 -0.5186 -0.5186 -0.3086 -0.3086 -0.2109 -0.2109 -0.1483 -0.1483 0.2276 0.2276 0.5911 0.5911 0.6514 0.6514 1.3166 1.3166 1.3429 1.3429 1.4229 1.4229 1.6918 1.6918 1.8470 1.8470 2.0830 2.0830 2.1279 2.1279 2.1877 2.1877 2.3391 2.3391 4.8689 4.8689 5.0187 5.0187 5.1304 5.1304 7.7320 7.7320 8.0705 8.0705 10.0574 10.0574 10.1856 10.1856 10.8804 10.8804 k = 0.4188 0.2418 0.4695 ( 9640 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5969 -30.5969 -25.3083 -25.3083 -25.3082 -25.3082 -11.2053 -11.2053 -10.7307 -10.7307 -10.6167 -10.6167 -10.5621 -10.5621 -10.4910 -10.4910 -10.4581 -10.4581 -8.9506 -8.9506 -8.9470 -8.9470 -8.6951 -8.6951 -8.6909 -8.6909 -8.6768 -8.6768 -8.6732 -8.6732 -0.7819 -0.7819 -0.5899 -0.5899 -0.5100 -0.5100 -0.3211 -0.3211 -0.2110 -0.2110 -0.1429 -0.1429 0.2567 0.2567 0.5846 0.5846 0.6496 0.6496 1.3255 1.3255 1.3503 1.3503 1.4451 1.4451 1.6594 1.6594 1.8052 1.8052 2.0689 2.0689 2.1213 2.1213 2.1742 2.1742 2.3487 2.3487 4.8641 4.8641 5.0321 5.0321 5.1431 5.1431 7.6980 7.6980 8.0802 8.0802 10.1068 10.1068 10.2337 10.2337 10.8609 10.8609 k = 0.4125 0.2382 0.4899 ( 9622 PWs) bands (ev): -57.2345 -57.2345 -33.0770 -33.0770 -30.5970 -30.5970 -30.5969 -30.5969 -25.3083 -25.3083 -25.3082 -25.3082 -11.2035 -11.2035 -10.7340 -10.7340 -10.6154 -10.6154 -10.5570 -10.5570 -10.4955 -10.4955 -10.4607 -10.4607 -8.9500 -8.9500 -8.9465 -8.9465 -8.6947 -8.6947 -8.6901 -8.6901 -8.6766 -8.6766 -8.6726 -8.6726 -0.7982 -0.7982 -0.5704 -0.5704 -0.5011 -0.5011 -0.3331 -0.3331 -0.2106 -0.2106 -0.1369 -0.1369 0.2843 0.2843 0.5786 0.5786 0.6468 0.6468 1.3340 1.3340 1.3589 1.3589 1.4670 1.4670 1.6270 1.6270 1.7650 1.7650 2.0541 2.0541 2.1153 2.1153 2.1596 2.1596 2.3593 2.3593 4.8581 4.8581 5.0456 5.0456 5.1557 5.1557 7.6647 7.6647 8.0905 8.0905 10.1572 10.1572 10.2827 10.2827 10.8377 10.8377 k = 0.4062 0.2345 0.5103 ( 9624 PWs) bands (ev): -57.2346 -57.2346 -33.0770 -33.0770 -30.5970 -30.5970 -30.5969 -30.5969 -25.3083 -25.3083 -25.3082 -25.3082 -11.2019 -11.2019 -10.7367 -10.7367 -10.6140 -10.6140 -10.5523 -10.5523 -10.5000 -10.5000 -10.4633 -10.4633 -8.9495 -8.9495 -8.9461 -8.9461 -8.6944 -8.6944 -8.6893 -8.6893 -8.6763 -8.6763 -8.6720 -8.6720 -0.8139 -0.8139 -0.5518 -0.5518 -0.4919 -0.4919 -0.3443 -0.3443 -0.2094 -0.2094 -0.1305 -0.1305 0.3099 0.3099 0.5737 0.5737 0.6427 0.6427 1.3422 1.3422 1.3686 1.3686 1.4862 1.4862 1.5950 1.5950 1.7290 1.7290 2.0391 2.0391 2.1094 2.1094 2.1445 2.1445 2.3706 2.3706 4.8511 4.8511 5.0588 5.0588 5.1678 5.1678 7.6327 7.6327 8.1013 8.1013 10.2074 10.2074 10.3314 10.3314 10.8112 10.8112 k = 0.4000 0.2309 0.5307 ( 9632 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5969 -30.5969 -25.3083 -25.3083 -25.3082 -25.3082 -11.2004 -11.2004 -10.7390 -10.7390 -10.6124 -10.6124 -10.5480 -10.5480 -10.5044 -10.5044 -10.4660 -10.4660 -8.9490 -8.9490 -8.9456 -8.9456 -8.6942 -8.6942 -8.6886 -8.6886 -8.6761 -8.6761 -8.6714 -8.6714 -0.8288 -0.8288 -0.5351 -0.5351 -0.4826 -0.4826 -0.3543 -0.3543 -0.2071 -0.2071 -0.1238 -0.1238 0.3327 0.3327 0.5702 0.5702 0.6375 0.6375 1.3501 1.3501 1.3793 1.3793 1.4988 1.4988 1.5646 1.5646 1.7008 1.7008 2.0241 2.0241 2.1033 2.1033 2.1296 2.1296 2.3823 2.3823 4.8433 4.8433 5.0714 5.0714 5.1793 5.1793 7.6024 7.6024 8.1126 8.1126 10.2560 10.2560 10.3785 10.3785 10.7823 10.7823 k = 0.3937 0.2273 0.5511 ( 9638 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5969 -30.5969 -25.3084 -25.3084 -25.3082 -25.3082 -11.1993 -11.1993 -10.7407 -10.7407 -10.6108 -10.6108 -10.5442 -10.5442 -10.5083 -10.5083 -10.4686 -10.4686 -8.9487 -8.9487 -8.9452 -8.9452 -8.6941 -8.6941 -8.6879 -8.6879 -8.6759 -8.6759 -8.6708 -8.6708 -0.8428 -0.8428 -0.5211 -0.5211 -0.4731 -0.4731 -0.3628 -0.3628 -0.2033 -0.2033 -0.1169 -0.1169 0.3518 0.3518 0.5687 0.5687 0.6310 0.6310 1.3573 1.3573 1.3910 1.3910 1.4990 1.4990 1.5373 1.5373 1.6860 1.6860 2.0096 2.0096 2.0955 2.0955 2.1168 2.1168 2.3942 2.3942 4.8349 4.8349 5.0831 5.0831 5.1899 5.1899 7.5741 7.5741 8.1243 8.1243 10.3009 10.3009 10.4221 10.4221 10.7534 10.7534 k = 0.3875 0.2237 0.5715 ( 9638 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5970 -30.5970 -25.3084 -25.3084 -25.3081 -25.3081 -11.1983 -11.1983 -10.7418 -10.7418 -10.6090 -10.6090 -10.5413 -10.5413 -10.5116 -10.5116 -10.4713 -10.4713 -8.9484 -8.9484 -8.9448 -8.9448 -8.6940 -8.6940 -8.6874 -8.6874 -8.6757 -8.6757 -8.6703 -8.6703 -0.8557 -0.8557 -0.5107 -0.5107 -0.4635 -0.4635 -0.3698 -0.3698 -0.1978 -0.1978 -0.1100 -0.1100 0.3667 0.3667 0.5697 0.5697 0.6233 0.6233 1.3632 1.3632 1.4033 1.4033 1.4849 1.4849 1.5142 1.5142 1.6872 1.6872 1.9957 1.9957 2.0843 2.0843 2.1079 2.1079 2.4063 2.4063 4.8261 4.8261 5.0938 5.0938 5.1995 5.1995 7.5481 7.5481 8.1364 8.1364 10.3386 10.3386 10.4594 10.4594 10.7283 10.7283 k = 0.3812 0.2201 0.5920 ( 9636 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5970 -30.5970 -25.3084 -25.3084 -25.3081 -25.3081 -11.1978 -11.1978 -10.7424 -10.7424 -10.6071 -10.6071 -10.5395 -10.5395 -10.5138 -10.5138 -10.4740 -10.4740 -8.9482 -8.9482 -8.9445 -8.9445 -8.6940 -8.6940 -8.6870 -8.6870 -8.6756 -8.6756 -8.6698 -8.6698 -0.8675 -0.8675 -0.5042 -0.5042 -0.4540 -0.4540 -0.3753 -0.3753 -0.1903 -0.1903 -0.1034 -0.1034 0.3770 0.3770 0.5729 0.5729 0.6148 0.6148 1.3662 1.3662 1.4146 1.4146 1.4652 1.4652 1.4933 1.4933 1.7013 1.7013 1.9829 1.9829 2.0706 2.0706 2.1025 2.1025 2.4184 2.4184 4.8169 4.8169 5.1033 5.1033 5.2080 5.2080 7.5246 7.5246 8.1486 8.1486 10.3631 10.3631 10.4880 10.4880 10.7134 10.7134 k = 0.3750 0.2165 0.6124 ( 9631 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5969 -30.5969 -25.3084 -25.3084 -25.3081 -25.3081 -11.1976 -11.1976 -10.7423 -10.7423 -10.6050 -10.6050 -10.5392 -10.5392 -10.5147 -10.5147 -10.4766 -10.4766 -8.9480 -8.9480 -8.9443 -8.9443 -8.6941 -8.6941 -8.6868 -8.6868 -8.6755 -8.6755 -8.6693 -8.6693 -0.8781 -0.8781 -0.5013 -0.5013 -0.4447 -0.4447 -0.3799 -0.3799 -0.1811 -0.1811 -0.0971 -0.0971 0.3828 0.3828 0.5772 0.5772 0.6064 0.6064 1.3640 1.3640 1.4196 1.4196 1.4513 1.4513 1.4771 1.4771 1.7227 1.7227 1.9715 1.9715 2.0562 2.0562 2.0991 2.0991 2.4304 2.4304 4.8076 4.8076 5.1115 5.1115 5.2152 5.2152 7.5040 7.5040 8.1611 8.1611 10.3660 10.3660 10.5093 10.5093 10.7129 10.7129 k = 0.6250-0.0722 0.4082 ( 9631 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5969 -30.5969 -25.3084 -25.3084 -25.3081 -25.3081 -11.1976 -11.1976 -10.7423 -10.7423 -10.6050 -10.6050 -10.5392 -10.5392 -10.5147 -10.5147 -10.4766 -10.4766 -8.9480 -8.9480 -8.9443 -8.9443 -8.6941 -8.6941 -8.6868 -8.6868 -8.6755 -8.6755 -8.6693 -8.6693 -0.8781 -0.8781 -0.5013 -0.5013 -0.4447 -0.4447 -0.3799 -0.3799 -0.1811 -0.1811 -0.0971 -0.0971 0.3828 0.3828 0.5772 0.5772 0.6064 0.6064 1.3640 1.3640 1.4196 1.4196 1.4513 1.4513 1.4771 1.4771 1.7227 1.7227 1.9715 1.9715 2.0562 2.0562 2.0991 2.0991 2.4304 2.4304 4.8076 4.8076 5.1115 5.1115 5.2152 5.2152 7.5040 7.5040 8.1611 8.1611 10.3660 10.3660 10.5093 10.5093 10.7129 10.7129 k = 0.6146-0.0902 0.4082 ( 9643 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5970 -30.5970 -25.3085 -25.3085 -25.3081 -25.3081 -11.1977 -11.1977 -10.7415 -10.7415 -10.6014 -10.6014 -10.5400 -10.5400 -10.5148 -10.5148 -10.4810 -10.4810 -8.9479 -8.9479 -8.9441 -8.9441 -8.6942 -8.6942 -8.6865 -8.6865 -8.6754 -8.6754 -8.6687 -8.6687 -0.8943 -0.8943 -0.5020 -0.5020 -0.4291 -0.4291 -0.3845 -0.3845 -0.1645 -0.1645 -0.0873 -0.0873 0.3888 0.3888 0.5745 0.5745 0.6020 0.6020 1.3538 1.3538 1.4149 1.4149 1.4403 1.4403 1.4604 1.4604 1.7628 1.7628 1.9543 1.9543 2.0328 2.0328 2.0948 2.0948 2.4500 2.4500 4.7916 4.7916 5.1234 5.1234 5.2257 5.2257 7.4729 7.4729 8.1821 8.1821 10.3480 10.3480 10.5233 10.5233 10.7409 10.7409 k = 0.6042-0.1083 0.4082 ( 9651 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5970 -30.5970 -25.3085 -25.3085 -25.3080 -25.3080 -11.1980 -11.1980 -10.7402 -10.7402 -10.5975 -10.5975 -10.5409 -10.5409 -10.5150 -10.5150 -10.4856 -10.4856 -8.9478 -8.9478 -8.9439 -8.9439 -8.6944 -8.6944 -8.6862 -8.6862 -8.6754 -8.6754 -8.6681 -8.6681 -0.9097 -0.9097 -0.5074 -0.5074 -0.4132 -0.4132 -0.3841 -0.3841 -0.1485 -0.1485 -0.0780 -0.0780 0.3943 0.3943 0.5581 0.5581 0.6097 0.6097 1.3423 1.3423 1.4071 1.4071 1.4294 1.4294 1.4516 1.4516 1.8029 1.8029 1.9379 1.9379 2.0100 2.0100 2.0910 2.0910 2.4686 2.4686 4.7756 4.7756 5.1345 5.1345 5.2356 5.2356 7.4435 7.4435 8.2028 8.2028 10.3279 10.3279 10.5110 10.5110 10.7934 10.7934 k = 0.5938-0.1263 0.4082 ( 9650 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5970 -30.5970 -25.3085 -25.3085 -25.3080 -25.3080 -11.1985 -11.1985 -10.7385 -10.7385 -10.5934 -10.5934 -10.5418 -10.5418 -10.5151 -10.5151 -10.4903 -10.4903 -8.9478 -8.9478 -8.9437 -8.9437 -8.6946 -8.6946 -8.6860 -8.6860 -8.6753 -8.6753 -8.6676 -8.6676 -0.9241 -0.9241 -0.5161 -0.5161 -0.3973 -0.3973 -0.3801 -0.3801 -0.1332 -0.1332 -0.0692 -0.0692 0.3994 0.3994 0.5387 0.5387 0.6191 0.6191 1.3297 1.3297 1.3973 1.3973 1.4178 1.4178 1.4505 1.4505 1.8419 1.8419 1.9224 1.9224 1.9882 1.9882 2.0881 2.0881 2.4862 2.4862 4.7596 4.7596 5.1447 5.1447 5.2448 5.2448 7.4161 7.4161 8.2230 8.2230 10.3067 10.3067 10.4880 10.4880 10.8542 10.8542 k = 0.5833-0.1443 0.4082 ( 9630 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5969 -30.5969 -25.3085 -25.3085 -25.3080 -25.3080 -11.1992 -11.1992 -10.7366 -10.7366 -10.5891 -10.5891 -10.5429 -10.5429 -10.5153 -10.5153 -10.4950 -10.4950 -8.9478 -8.9478 -8.9435 -8.9435 -8.6949 -8.6949 -8.6858 -8.6858 -8.6753 -8.6753 -8.6671 -8.6671 -0.9374 -0.9374 -0.5262 -0.5262 -0.3815 -0.3815 -0.3743 -0.3743 -0.1189 -0.1189 -0.0609 -0.0609 0.4040 0.4040 0.5189 0.5189 0.6280 0.6280 1.3167 1.3167 1.3873 1.3873 1.4076 1.4076 1.4531 1.4531 1.8785 1.8785 1.9078 1.9078 1.9676 1.9676 2.0861 2.0861 2.5025 2.5025 4.7442 4.7442 5.1540 5.1540 5.2533 5.2533 7.3908 7.3908 8.2424 8.2424 10.2853 10.2853 10.4622 10.4622 10.9148 10.9148 k = 0.5729-0.1624 0.4082 ( 9640 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5970 -30.5970 -25.3086 -25.3086 -25.3079 -25.3079 -11.1999 -11.1999 -10.7346 -10.7346 -10.5847 -10.5847 -10.5440 -10.5440 -10.5156 -10.5156 -10.4996 -10.4996 -8.9478 -8.9478 -8.9434 -8.9434 -8.6952 -8.6952 -8.6856 -8.6856 -8.6752 -8.6752 -8.6667 -8.6667 -0.9494 -0.9494 -0.5366 -0.5366 -0.3681 -0.3681 -0.3659 -0.3659 -0.1059 -0.1059 -0.0531 -0.0531 0.4081 0.4081 0.4995 0.4995 0.6359 0.6359 1.3037 1.3037 1.3778 1.3778 1.3993 1.3993 1.4575 1.4575 1.8941 1.8941 1.9118 1.9118 1.9485 1.9485 2.0853 2.0853 2.5172 2.5172 4.7295 4.7295 5.1622 5.1622 5.2609 5.2609 7.3679 7.3679 8.2605 8.2605 10.2645 10.2645 10.4368 10.4368 10.9707 10.9707 k = 0.5625-0.1804 0.4082 ( 9628 PWs) bands (ev): -57.2346 -57.2346 -33.0770 -33.0770 -30.5970 -30.5970 -30.5969 -30.5969 -25.3086 -25.3086 -25.3079 -25.3079 -11.2006 -11.2006 -10.7326 -10.7326 -10.5802 -10.5802 -10.5452 -10.5452 -10.5162 -10.5162 -10.5039 -10.5039 -8.9479 -8.9479 -8.9433 -8.9433 -8.6954 -8.6954 -8.6855 -8.6855 -8.6752 -8.6752 -8.6664 -8.6664 -0.9601 -0.9601 -0.5464 -0.5464 -0.3614 -0.3614 -0.3517 -0.3517 -0.0945 -0.0945 -0.0458 -0.0458 0.4116 0.4116 0.4812 0.4812 0.6428 0.6428 1.2914 1.2914 1.3693 1.3693 1.3928 1.3928 1.4627 1.4627 1.8816 1.8816 1.9313 1.9313 1.9408 1.9408 2.0860 2.0860 2.5304 2.5304 4.7159 4.7159 5.1693 5.1693 5.2677 5.2677 7.3475 7.3475 8.2771 8.2771 10.2450 10.2450 10.4134 10.4134 11.0192 11.0192 k = 0.5521-0.1985 0.4082 ( 9624 PWs) bands (ev): -57.2346 -57.2346 -33.0770 -33.0770 -30.5970 -30.5970 -30.5969 -30.5969 -25.3086 -25.3086 -25.3079 -25.3079 -11.2014 -11.2014 -10.7306 -10.7306 -10.5756 -10.5756 -10.5464 -10.5464 -10.5174 -10.5174 -10.5076 -10.5076 -8.9479 -8.9479 -8.9432 -8.9432 -8.6957 -8.6957 -8.6854 -8.6854 -8.6751 -8.6751 -8.6660 -8.6660 -0.9694 -0.9694 -0.5551 -0.5551 -0.3555 -0.3555 -0.3386 -0.3386 -0.0848 -0.0848 -0.0391 -0.0391 0.4146 0.4146 0.4644 0.4644 0.6485 0.6485 1.2803 1.2803 1.3622 1.3622 1.3878 1.3878 1.4681 1.4681 1.8701 1.8701 1.9165 1.9165 1.9646 1.9646 2.0884 2.0884 2.5417 2.5417 4.7037 4.7037 5.1754 5.1754 5.2736 5.2736 7.3300 7.3300 8.2917 8.2917 10.2275 10.2275 10.3927 10.3927 11.0583 11.0583 k = 0.5417-0.2165 0.4082 ( 9636 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5969 -30.5969 -25.3086 -25.3086 -25.3079 -25.3079 -11.2020 -11.2020 -10.7289 -10.7289 -10.5710 -10.5710 -10.5475 -10.5475 -10.5197 -10.5197 -10.5100 -10.5100 -8.9480 -8.9480 -8.9431 -8.9431 -8.6959 -8.6959 -8.6853 -8.6853 -8.6751 -8.6751 -8.6658 -8.6658 -0.9771 -0.9771 -0.5625 -0.5625 -0.3504 -0.3504 -0.3271 -0.3271 -0.0770 -0.0770 -0.0331 -0.0331 0.4171 0.4171 0.4498 0.4498 0.6531 0.6531 1.2707 1.2707 1.3564 1.3564 1.3839 1.3839 1.4734 1.4734 1.8600 1.8600 1.9041 1.9041 1.9827 1.9827 2.0924 2.0924 2.5511 2.5511 4.6933 4.6933 5.1804 5.1804 5.2784 5.2784 7.3154 7.3154 8.3042 8.3042 10.2125 10.2125 10.3754 10.3754 11.0871 11.0871 k = 0.5312-0.2345 0.4082 ( 9632 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5969 -30.5969 -25.3086 -25.3086 -25.3079 -25.3079 -11.2025 -11.2025 -10.7274 -10.7274 -10.5667 -10.5667 -10.5486 -10.5486 -10.5227 -10.5227 -10.5112 -10.5112 -8.9480 -8.9480 -8.9430 -8.9430 -8.6961 -8.6961 -8.6852 -8.6852 -8.6751 -8.6751 -8.6656 -8.6656 -0.9832 -0.9832 -0.5684 -0.5684 -0.3463 -0.3463 -0.3176 -0.3176 -0.0710 -0.0710 -0.0281 -0.0281 0.4190 0.4190 0.4379 0.4379 0.6567 0.6567 1.2630 1.2630 1.3519 1.3519 1.3810 1.3810 1.4781 1.4781 1.8516 1.8516 1.8945 1.8945 1.9954 1.9954 2.0975 2.0975 2.5586 2.5586 4.6848 4.6848 5.1844 5.1844 5.2823 5.2823 7.3039 7.3039 8.3142 8.3142 10.2004 10.2004 10.3616 10.3616 11.1063 11.1063 k = 0.5208-0.2526 0.4082 ( 9618 PWs) bands (ev): -57.2345 -57.2345 -33.0770 -33.0770 -30.5970 -30.5970 -30.5969 -30.5969 -25.3086 -25.3086 -25.3079 -25.3079 -11.2029 -11.2029 -10.7263 -10.7263 -10.5627 -10.5627 -10.5497 -10.5497 -10.5258 -10.5258 -10.5118 -10.5118 -8.9481 -8.9481 -8.9430 -8.9430 -8.6962 -8.6962 -8.6852 -8.6852 -8.6751 -8.6751 -8.6655 -8.6655 -0.9876 -0.9876 -0.5727 -0.5727 -0.3433 -0.3433 -0.3105 -0.3105 -0.0669 -0.0669 -0.0243 -0.0243 0.4202 0.4202 0.4291 0.4291 0.6591 0.6591 1.2574 1.2574 1.3487 1.3487 1.3791 1.3791 1.4817 1.4817 1.8451 1.8451 1.8876 1.8876 2.0034 2.0034 2.1026 2.1026 2.5639 2.5639 4.6786 4.6786 5.1872 5.1872 5.2851 5.2851 7.2956 7.2956 8.3214 8.3214 10.1916 10.1916 10.3516 10.3516 11.1177 11.1177 k = 0.5104-0.2706 0.4082 ( 9632 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5969 -30.5969 -25.3086 -25.3086 -25.3079 -25.3079 -11.2032 -11.2032 -10.7256 -10.7256 -10.5595 -10.5595 -10.5508 -10.5508 -10.5281 -10.5281 -10.5120 -10.5120 -8.9481 -8.9481 -8.9430 -8.9430 -8.6963 -8.6963 -8.6852 -8.6852 -8.6750 -8.6750 -8.6654 -8.6654 -0.9903 -0.9903 -0.5753 -0.5753 -0.3414 -0.3414 -0.3061 -0.3061 -0.0644 -0.0644 -0.0219 -0.0219 0.4205 0.4205 0.4241 0.4241 0.6606 0.6606 1.2539 1.2539 1.3468 1.3468 1.3779 1.3779 1.4841 1.4841 1.8410 1.8410 1.8835 1.8835 2.0076 2.0076 2.1062 2.1062 2.5672 2.5672 4.6748 4.6748 5.1888 5.1888 5.2867 5.2867 7.2906 7.2906 8.3259 8.3259 10.1862 10.1862 10.3455 10.3455 11.1234 11.1234 k = 0.5000-0.2887 0.4082 ( 9640 PWs) bands (ev): -57.2346 -57.2346 -33.0771 -33.0771 -30.5970 -30.5970 -30.5969 -30.5969 -25.3086 -25.3086 -25.3079 -25.3079 -11.2033 -11.2033 -10.7253 -10.7253 -10.5582 -10.5582 -10.5514 -10.5514 -10.5290 -10.5290 -10.5121 -10.5121 -8.9481 -8.9481 -8.9430 -8.9430 -8.6963 -8.6963 -8.6852 -8.6852 -8.6751 -8.6751 -8.6654 -8.6654 -0.9912 -0.9912 -0.5761 -0.5761 -0.3408 -0.3408 -0.3046 -0.3046 -0.0636 -0.0636 -0.0210 -0.0210 0.4200 0.4200 0.4230 0.4230 0.6611 0.6611 1.2528 1.2528 1.3461 1.3461 1.3775 1.3775 1.4849 1.4849 1.8396 1.8396 1.8822 1.8822 2.0089 2.0089 2.1075 2.1075 2.5683 2.5683 4.6736 4.6736 5.1894 5.1894 5.2873 5.2873 7.2889 7.2889 8.3274 8.3274 10.1844 10.1844 10.3435 10.3435 11.1252 11.1252 Writing output data file K2MoCl6.save init_run : 0.46s CPU 0.59s WALL ( 1 calls) electrons : 508.85s CPU 513.09s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.04s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 508.84s CPU 513.08s WALL ( 1 calls) v_of_rho : 0.01s 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 : 0.14s CPU 0.16s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.08s CPU 0.10s WALL ( 219 calls) cegterg : 476.62s CPU 480.06s WALL ( 554 calls) Called by sum_band: Called by *egterg: h_psi : 238.04s CPU 241.22s WALL ( 9881 calls) s_psi : 17.61s CPU 17.58s WALL ( 9881 calls) g_psi : 0.30s CPU 0.34s WALL ( 9108 calls) cdiaghg : 197.97s CPU 198.51s WALL ( 9327 calls) cegterg:over : 18.84s CPU 19.08s WALL ( 9108 calls) cegterg:upda : 14.01s CPU 13.91s WALL ( 9108 calls) cegterg:last : 6.50s CPU 6.41s WALL ( 992 calls) cdiaghg:chol : 8.09s CPU 8.13s WALL ( 9327 calls) cdiaghg:inve : 5.90s CPU 6.06s WALL ( 9327 calls) cdiaghg:para : 12.64s CPU 12.59s WALL ( 18654 calls) Called by h_psi: h_psi:vloc : 198.41s CPU 201.63s WALL ( 9881 calls) h_psi:vnl : 39.14s CPU 39.12s WALL ( 9881 calls) add_vuspsi : 20.68s CPU 20.70s WALL ( 9881 calls) General routines calbec : 18.42s CPU 18.40s WALL ( 9881 calls) fft : 0.02s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 188.84s CPU 192.14s WALL ( 1043376 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.17s CPU 0.34s WALL ( 438 calls) Parallel routines fft_scatter : 125.24s CPU 127.60s WALL ( 1043399 calls) PWSCF : 9m17.01s CPU 9m32.82s WALL This run was terminated on: 9:40:24 31Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=