Program PWSCF v.5.3.0 (svn rev. 11974) starts on 31Jan2017 at 9:40:36 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: ./Rb2SeCl6.save/ file Rb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 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 44 31 8 1638 971 142 Max 45 32 9 1642 997 147 Sum 3181 2245 637 118045 70721 10417 bravais-lattice index = 14 lattice parameter (alat) = 13.3330 a.u. unit-cell volume = 1675.9730 (a.u.)^3 number of atoms/cell = 9 number of atomic types = 3 number of electrons = 66.00 number of Kohn-Sham states= 80 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 259.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 13.332983 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 Se read from file: /users/gautes/Pseudo/Se.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 38611c150961c07dbd63be353364166d Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1211 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Rb read from file: /users/gautes/Pseudo/Rb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 948b8f0a9070089a35782939cf30e963 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1219 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Cl 7.00 35.45300 Cl( 1.00) Se 6.00 78.96000 Se( 1.00) Rb 9.00 85.46780 Rb( 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 0.2316176 0.4632353), wk = 0.0045662 k( 78) = ( 0.2205882 0.2205882 0.4411765), wk = 0.0045662 k( 79) = ( 0.2095588 0.2095588 0.4191177), wk = 0.0045662 k( 80) = ( 0.1985294 0.1985294 0.3970588), wk = 0.0045662 k( 81) = ( 0.1875000 0.1875000 0.3750000), wk = 0.0045662 k( 82) = ( 0.1764706 0.1764706 0.3529412), wk = 0.0045662 k( 83) = ( 0.1654412 0.1654412 0.3308824), wk = 0.0045662 k( 84) = ( 0.1544118 0.1544118 0.3088235), wk = 0.0045662 k( 85) = ( 0.1433823 0.1433823 0.2867647), wk = 0.0045662 k( 86) = ( 0.1323529 0.1323529 0.2647059), wk = 0.0045662 k( 87) = ( 0.1213235 0.1213235 0.2426471), wk = 0.0045662 k( 88) = ( 0.1102941 0.1102941 0.2205882), wk = 0.0045662 k( 89) = ( 0.0992647 0.0992647 0.1985294), wk = 0.0045662 k( 90) = ( 0.0882353 0.0882353 0.1764706), wk = 0.0045662 k( 91) = ( 0.0772059 0.0772059 0.1544118), wk = 0.0045662 k( 92) = ( 0.0661765 0.0661765 0.1323529), wk = 0.0045662 k( 93) = ( 0.0551471 0.0551471 0.1102941), wk = 0.0045662 k( 94) = ( 0.0441177 0.0441176 0.0882353), wk = 0.0045662 k( 95) = ( 0.0330882 0.0330882 0.0661765), wk = 0.0045662 k( 96) = ( 0.0220588 0.0220588 0.0441177), wk = 0.0045662 k( 97) = ( 0.0110294 0.0110294 0.0220588), wk = 0.0045662 k( 98) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045662 k( 99) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045662 k( 100) = ( 0.0178571 0.0178571 0.0178571), wk = 0.0045662 k( 101) = ( 0.0357143 0.0357143 0.0357143), wk = 0.0045662 k( 102) = ( 0.0535714 0.0535714 0.0535714), wk = 0.0045662 k( 103) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0045662 k( 104) = ( 0.0892857 0.0892857 0.0892857), wk = 0.0045662 k( 105) = ( 0.1071429 0.1071429 0.1071429), wk = 0.0045662 k( 106) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0045662 k( 107) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0045662 k( 108) = ( 0.1607143 0.1607143 0.1607143), wk = 0.0045662 k( 109) = ( 0.1785714 0.1785714 0.1785714), wk = 0.0045662 k( 110) = ( 0.1964286 0.1964286 0.1964286), wk = 0.0045662 k( 111) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0045662 k( 112) = ( 0.2321429 0.2321429 0.2321429), wk = 0.0045662 k( 113) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0045662 k( 114) = ( 0.2678571 0.2678571 0.2678571), wk = 0.0045662 k( 115) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0045662 k( 116) = ( 0.3035714 0.3035714 0.3035714), wk = 0.0045662 k( 117) = ( 0.3214286 0.3214286 0.3214286), wk = 0.0045662 k( 118) = ( 0.3392857 0.3392857 0.3392857), wk = 0.0045662 k( 119) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0045662 k( 120) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0045662 k( 121) = ( 0.3928571 0.3928571 0.3928571), wk = 0.0045662 k( 122) = ( 0.4107143 0.4107143 0.4107143), wk = 0.0045662 k( 123) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0045662 k( 124) = ( 0.4464286 0.4464286 0.4464286), wk = 0.0045662 k( 125) = ( 0.4642857 0.4642857 0.4642857), wk = 0.0045662 k( 126) = ( 0.4821429 0.4821429 0.4821429), wk = 0.0045662 k( 127) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0045662 k( 128) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0045662 k( 129) = ( 0.5062500 0.4875000 0.5062500), wk = 0.0045662 k( 130) = ( 0.5125000 0.4750000 0.5125000), wk = 0.0045662 k( 131) = ( 0.5187500 0.4625000 0.5187500), wk = 0.0045662 k( 132) = ( 0.5250000 0.4500000 0.5250000), wk = 0.0045662 k( 133) = ( 0.5312500 0.4375000 0.5312500), wk = 0.0045662 k( 134) = ( 0.5375000 0.4250000 0.5375000), wk = 0.0045662 k( 135) = ( 0.5437500 0.4125000 0.5437500), wk = 0.0045662 k( 136) = ( 0.5500000 0.4000000 0.5500000), wk = 0.0045662 k( 137) = ( 0.5562500 0.3875000 0.5562500), wk = 0.0045662 k( 138) = ( 0.5625000 0.3750000 0.5625000), wk = 0.0045662 k( 139) = ( 0.5687500 0.3625000 0.5687500), wk = 0.0045662 k( 140) = ( 0.5750000 0.3500000 0.5750000), wk = 0.0045662 k( 141) = ( 0.5812500 0.3375000 0.5812500), wk = 0.0045662 k( 142) = ( 0.5875000 0.3250000 0.5875000), wk = 0.0045662 k( 143) = ( 0.5937500 0.3125000 0.5937500), wk = 0.0045662 k( 144) = ( 0.6000000 0.3000000 0.6000000), wk = 0.0045662 k( 145) = ( 0.6062500 0.2875000 0.6062500), wk = 0.0045662 k( 146) = ( 0.6125000 0.2750000 0.6125000), wk = 0.0045662 k( 147) = ( 0.6187500 0.2625000 0.6187500), wk = 0.0045662 k( 148) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0045662 k( 149) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0045662 k( 150) = ( 0.6145833 0.2500000 0.6354167), wk = 0.0045662 k( 151) = ( 0.6041667 0.2500000 0.6458333), wk = 0.0045662 k( 152) = ( 0.5937500 0.2500000 0.6562500), wk = 0.0045662 k( 153) = ( 0.5833333 0.2500000 0.6666667), wk = 0.0045662 k( 154) = ( 0.5729167 0.2500000 0.6770833), wk = 0.0045662 k( 155) = ( 0.5625000 0.2500000 0.6875000), wk = 0.0045662 k( 156) = ( 0.5520833 0.2500000 0.6979167), wk = 0.0045662 k( 157) = ( 0.5416667 0.2500000 0.7083333), wk = 0.0045662 k( 158) = ( 0.5312500 0.2500000 0.7187500), wk = 0.0045662 k( 159) = ( 0.5208333 0.2500000 0.7291667), wk = 0.0045662 k( 160) = ( 0.5104167 0.2500000 0.7395833), wk = 0.0045662 k( 161) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0045662 k( 162) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0045662 k( 163) = ( 0.5000000 0.2608696 0.7391304), wk = 0.0045662 k( 164) = ( 0.5000000 0.2717391 0.7282609), wk = 0.0045662 k( 165) = ( 0.5000000 0.2826087 0.7173913), wk = 0.0045662 k( 166) = ( 0.5000000 0.2934783 0.7065217), wk = 0.0045662 k( 167) = ( 0.5000000 0.3043478 0.6956522), wk = 0.0045662 k( 168) = ( 0.5000000 0.3152174 0.6847826), wk = 0.0045662 k( 169) = ( 0.5000000 0.3260870 0.6739130), wk = 0.0045662 k( 170) = ( 0.5000000 0.3369565 0.6630435), wk = 0.0045662 k( 171) = ( 0.5000000 0.3478261 0.6521739), wk = 0.0045662 k( 172) = ( 0.5000000 0.3586956 0.6413043), wk = 0.0045662 k( 173) = ( 0.5000000 0.3695652 0.6304348), wk = 0.0045662 k( 174) = ( 0.5000000 0.3804348 0.6195652), wk = 0.0045662 k( 175) = ( 0.5000000 0.3913043 0.6086957), wk = 0.0045662 k( 176) = ( 0.5000000 0.4021739 0.5978261), wk = 0.0045662 k( 177) = ( 0.5000000 0.4130435 0.5869565), wk = 0.0045662 k( 178) = ( 0.5000000 0.4239130 0.5760870), wk = 0.0045662 k( 179) = ( 0.5000000 0.4347826 0.5652174), wk = 0.0045662 k( 180) = ( 0.5000000 0.4456522 0.5543478), wk = 0.0045662 k( 181) = ( 0.5000000 0.4565217 0.5434783), wk = 0.0045662 k( 182) = ( 0.5000000 0.4673913 0.5326087), wk = 0.0045662 k( 183) = ( 0.5000000 0.4782609 0.5217391), wk = 0.0045662 k( 184) = ( 0.5000000 0.4891304 0.5108696), wk = 0.0045662 k( 185) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0045662 k( 186) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0045662 k( 187) = ( 0.4937500 0.4937500 0.5125000), wk = 0.0045662 k( 188) = ( 0.4875000 0.4875000 0.5250000), wk = 0.0045662 k( 189) = ( 0.4812500 0.4812500 0.5375000), wk = 0.0045662 k( 190) = ( 0.4750000 0.4750000 0.5500000), wk = 0.0045662 k( 191) = ( 0.4687500 0.4687500 0.5625000), wk = 0.0045662 k( 192) = ( 0.4625000 0.4625000 0.5750000), wk = 0.0045662 k( 193) = ( 0.4562500 0.4562500 0.5875000), wk = 0.0045662 k( 194) = ( 0.4500000 0.4500000 0.6000000), wk = 0.0045662 k( 195) = ( 0.4437500 0.4437500 0.6125000), wk = 0.0045662 k( 196) = ( 0.4375000 0.4375000 0.6250000), wk = 0.0045662 k( 197) = ( 0.4312500 0.4312500 0.6375000), wk = 0.0045662 k( 198) = ( 0.4250000 0.4250000 0.6500000), wk = 0.0045662 k( 199) = ( 0.4187500 0.4187500 0.6625000), wk = 0.0045662 k( 200) = ( 0.4125000 0.4125000 0.6750000), wk = 0.0045662 k( 201) = ( 0.4062500 0.4062500 0.6875000), wk = 0.0045662 k( 202) = ( 0.4000000 0.4000000 0.7000000), wk = 0.0045662 k( 203) = ( 0.3937500 0.3937500 0.7125000), wk = 0.0045662 k( 204) = ( 0.3875000 0.3875000 0.7250000), wk = 0.0045662 k( 205) = ( 0.3812500 0.3812500 0.7375000), wk = 0.0045662 k( 206) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0045662 k( 207) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0045662 k( 208) = ( 0.6145833 0.2291667 0.6145833), wk = 0.0045662 k( 209) = ( 0.6041667 0.2083333 0.6041667), wk = 0.0045662 k( 210) = ( 0.5937500 0.1875000 0.5937500), wk = 0.0045662 k( 211) = ( 0.5833333 0.1666667 0.5833333), wk = 0.0045662 k( 212) = ( 0.5729167 0.1458333 0.5729167), wk = 0.0045662 k( 213) = ( 0.5625000 0.1250000 0.5625000), wk = 0.0045662 k( 214) = ( 0.5520833 0.1041667 0.5520833), wk = 0.0045662 k( 215) = ( 0.5416667 0.0833333 0.5416667), wk = 0.0045662 k( 216) = ( 0.5312500 0.0625000 0.5312500), wk = 0.0045662 k( 217) = ( 0.5208333 0.0416667 0.5208333), wk = 0.0045662 k( 218) = ( 0.5104167 0.0208333 0.5104167), wk = 0.0045662 k( 219) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0045662 Dense grid: 118045 G-vectors FFT dimensions: ( 72, 72, 72) Smooth grid: 70721 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.31 Mb ( 258, 80) NL pseudopotentials 0.56 Mb ( 129, 286) Each V/rho on FFT grid 0.08 Mb ( 5184) Each G-vector array 0.01 Mb ( 1639) G-vector shells 0.00 Mb ( 589) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.26 Mb ( 258, 320) Each subspace H/S matrix 0.04 Mb ( 53, 53) Each matrix 0.70 Mb ( 286, 2, 80) Check: negative/imaginary core charge= -0.000006 0.000000 The potential is recalculated from file : ./Rb2SeCl6.save/charge-density.dat Starting wfc are 88 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.1 secs Computing kpt #: 2 total cpu time spent up to now is 5.9 secs Computing kpt #: 3 total cpu time spent up to now is 7.5 secs Computing kpt #: 4 total cpu time spent up to now is 9.2 secs Computing kpt #: 5 total cpu time spent up to now is 10.8 secs Computing kpt #: 6 total cpu time spent up to now is 12.4 secs Computing kpt #: 7 total cpu time spent up to now is 14.0 secs Computing kpt #: 8 total cpu time spent up to now is 15.7 secs Computing kpt #: 9 total cpu time spent up to now is 17.3 secs Computing kpt #: 10 total cpu time spent up to now is 18.9 secs Computing kpt #: 11 total cpu time spent up to now is 20.6 secs Computing kpt #: 12 total cpu time spent up to now is 22.2 secs Computing kpt #: 13 total cpu time spent up to now is 23.9 secs Computing kpt #: 14 total cpu time spent up to now is 25.5 secs Computing kpt #: 15 total cpu time spent up to now is 27.2 secs Computing kpt #: 16 total cpu time spent up to now is 29.1 secs Computing kpt #: 17 total cpu time spent up to now is 30.8 secs Computing kpt #: 18 total cpu time spent up to now is 32.4 secs Computing kpt #: 19 total cpu time spent up to now is 34.1 secs Computing kpt #: 20 total cpu time spent up to now is 35.7 secs Computing kpt #: 21 total cpu time spent up to now is 37.3 secs Computing kpt #: 22 total cpu time spent up to now is 39.0 secs Computing kpt #: 23 total cpu time spent up to now is 40.7 secs Computing kpt #: 24 total cpu time spent up to now is 42.3 secs Computing kpt #: 25 total cpu time spent up to now is 44.0 secs Computing kpt #: 26 total cpu time spent up to now is 45.7 secs Computing kpt #: 27 total cpu time spent up to now is 47.3 secs Computing kpt #: 28 total cpu time spent up to now is 49.1 secs Computing kpt #: 29 total cpu time spent up to now is 50.9 secs Computing kpt #: 30 total cpu time spent up to now is 52.7 secs Computing kpt #: 31 total cpu time spent up to now is 54.7 secs Computing kpt #: 32 total cpu time spent up to now is 56.8 secs Computing kpt #: 33 total cpu time spent up to now is 58.5 secs Computing kpt #: 34 total cpu time spent up to now is 60.1 secs Computing kpt #: 35 total cpu time spent up to now is 61.8 secs Computing kpt #: 36 total cpu time spent up to now is 63.5 secs Computing kpt #: 37 total cpu time spent up to now is 65.1 secs Computing kpt #: 38 total cpu time spent up to now is 66.8 secs Computing kpt #: 39 total cpu time spent up to now is 68.5 secs Computing kpt #: 40 total cpu time spent up to now is 70.2 secs Computing kpt #: 41 total cpu time spent up to now is 71.9 secs Computing kpt #: 42 total cpu time spent up to now is 73.7 secs Computing kpt #: 43 total cpu time spent up to now is 75.4 secs Computing kpt #: 44 total cpu time spent up to now is 77.2 secs Computing kpt #: 45 total cpu time spent up to now is 79.0 secs Computing kpt #: 46 total cpu time spent up to now is 80.8 secs Computing kpt #: 47 total cpu time spent up to now is 82.5 secs Computing kpt #: 48 total cpu time spent up to now is 84.3 secs Computing kpt #: 49 total cpu time spent up to now is 86.1 secs Computing kpt #: 50 total cpu time spent up to now is 87.9 secs Computing kpt #: 51 total cpu time spent up to now is 89.7 secs Computing kpt #: 52 total cpu time spent up to now is 91.5 secs Computing kpt #: 53 total cpu time spent up to now is 93.2 secs Computing kpt #: 54 total cpu time spent up to now is 94.8 secs Computing kpt #: 55 total cpu time spent up to now is 96.5 secs Computing kpt #: 56 total cpu time spent up to now is 98.8 secs Computing kpt #: 57 total cpu time spent up to now is 100.5 secs Computing kpt #: 58 total cpu time spent up to now is 102.3 secs Computing kpt #: 59 total cpu time spent up to now is 104.2 secs Computing kpt #: 60 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 108.9 secs Computing kpt #: 61 total cpu time spent up to now is 111.5 secs Computing kpt #: 62 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 115.7 secs Computing kpt #: 63 total cpu time spent up to now is 117.4 secs Computing kpt #: 64 total cpu time spent up to now is 119.2 secs Computing kpt #: 65 total cpu time spent up to now is 120.9 secs Computing kpt #: 66 total cpu time spent up to now is 123.1 secs Computing kpt #: 67 total cpu time spent up to now is 125.3 secs Computing kpt #: 68 total cpu time spent up to now is 127.5 secs Computing kpt #: 69 total cpu time spent up to now is 129.6 secs Computing kpt #: 70 total cpu time spent up to now is 131.8 secs Computing kpt #: 71 total cpu time spent up to now is 133.4 secs Computing kpt #: 72 total cpu time spent up to now is 135.0 secs Computing kpt #: 73 total cpu time spent up to now is 136.5 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 139.7 secs Computing kpt #: 76 total cpu time spent up to now is 141.3 secs Computing kpt #: 77 total cpu time spent up to now is 142.9 secs Computing kpt #: 78 total cpu time spent up to now is 144.6 secs Computing kpt #: 79 total cpu time spent up to now is 146.3 secs Computing kpt #: 80 total cpu time spent up to now is 147.9 secs Computing kpt #: 81 total cpu time spent up to now is 149.5 secs Computing kpt #: 82 total cpu time spent up to now is 151.0 secs Computing kpt #: 83 total cpu time spent up to now is 152.7 secs Computing kpt #: 84 total cpu time spent up to now is 154.3 secs Computing kpt #: 85 total cpu time spent up to now is 155.9 secs Computing kpt #: 86 total cpu time spent up to now is 157.6 secs Computing kpt #: 87 total cpu time spent up to now is 159.2 secs Computing kpt #: 88 total cpu time spent up to now is 160.8 secs Computing kpt #: 89 total cpu time spent up to now is 162.4 secs Computing kpt #: 90 total cpu time spent up to now is 164.0 secs Computing kpt #: 91 total cpu time spent up to now is 165.6 secs Computing kpt #: 92 total cpu time spent up to now is 167.3 secs Computing kpt #: 93 total cpu time spent up to now is 168.9 secs Computing kpt #: 94 total cpu time spent up to now is 170.5 secs Computing kpt #: 95 total cpu time spent up to now is 172.0 secs Computing kpt #: 96 total cpu time spent up to now is 173.6 secs Computing kpt #: 97 total cpu time spent up to now is 175.3 secs Computing kpt #: 98 total cpu time spent up to now is 176.9 secs Computing kpt #: 99 total cpu time spent up to now is 178.5 secs Computing kpt #: 100 total cpu time spent up to now is 180.2 secs Computing kpt #: 101 total cpu time spent up to now is 181.8 secs Computing kpt #: 102 total cpu time spent up to now is 183.4 secs Computing kpt #: 103 total cpu time spent up to now is 185.0 secs Computing kpt #: 104 total cpu time spent up to now is 186.6 secs Computing kpt #: 105 total cpu time spent up to now is 188.4 secs Computing kpt #: 106 total cpu time spent up to now is 190.2 secs Computing kpt #: 107 total cpu time spent up to now is 192.4 secs Computing kpt #: 108 total cpu time spent up to now is 194.1 secs Computing kpt #: 109 total cpu time spent up to now is 195.7 secs Computing kpt #: 110 total cpu time spent up to now is 197.3 secs Computing kpt #: 111 total cpu time spent up to now is 199.0 secs Computing kpt #: 112 total cpu time spent up to now is 200.5 secs Computing kpt #: 113 total cpu time spent up to now is 202.2 secs Computing kpt #: 114 total cpu time spent up to now is 203.8 secs Computing kpt #: 115 total cpu time spent up to now is 205.4 secs Computing kpt #: 116 total cpu time spent up to now is 207.0 secs Computing kpt #: 117 total cpu time spent up to now is 208.6 secs Computing kpt #: 118 total cpu time spent up to now is 210.2 secs Computing kpt #: 119 total cpu time spent up to now is 211.9 secs Computing kpt #: 120 total cpu time spent up to now is 213.5 secs Computing kpt #: 121 total cpu time spent up to now is 215.3 secs Computing kpt #: 122 total cpu time spent up to now is 217.4 secs Computing kpt #: 123 total cpu time spent up to now is 219.0 secs Computing kpt #: 124 total cpu time spent up to now is 220.6 secs Computing kpt #: 125 total cpu time spent up to now is 222.2 secs Computing kpt #: 126 total cpu time spent up to now is 223.5 secs Computing kpt #: 127 total cpu time spent up to now is 225.0 secs Computing kpt #: 128 total cpu time spent up to now is 226.4 secs Computing kpt #: 129 total cpu time spent up to now is 227.9 secs Computing kpt #: 130 total cpu time spent up to now is 229.4 secs Computing kpt #: 131 total cpu time spent up to now is 231.0 secs Computing kpt #: 132 total cpu time spent up to now is 232.5 secs Computing kpt #: 133 total cpu time spent up to now is 234.1 secs Computing kpt #: 134 total cpu time spent up to now is 235.7 secs Computing kpt #: 135 total cpu time spent up to now is 237.3 secs Computing kpt #: 136 total cpu time spent up to now is 238.9 secs Computing kpt #: 137 total cpu time spent up to now is 240.5 secs Computing kpt #: 138 total cpu time spent up to now is 242.0 secs Computing kpt #: 139 total cpu time spent up to now is 243.7 secs Computing kpt #: 140 total cpu time spent up to now is 245.3 secs Computing kpt #: 141 total cpu time spent up to now is 246.9 secs Computing kpt #: 142 total cpu time spent up to now is 248.6 secs Computing kpt #: 143 total cpu time spent up to now is 250.2 secs Computing kpt #: 144 total cpu time spent up to now is 251.8 secs Computing kpt #: 145 total cpu time spent up to now is 253.5 secs Computing kpt #: 146 total cpu time spent up to now is 255.3 secs Computing kpt #: 147 total cpu time spent up to now is 257.0 secs Computing kpt #: 148 total cpu time spent up to now is 259.7 secs Computing kpt #: 149 total cpu time spent up to now is 261.5 secs Computing kpt #: 150 total cpu time spent up to now is 263.2 secs Computing kpt #: 151 total cpu time spent up to now is 266.7 secs Computing kpt #: 152 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 270.9 secs Computing kpt #: 153 total cpu time spent up to now is 272.6 secs Computing kpt #: 154 total cpu time spent up to now is 274.8 secs Computing kpt #: 155 total cpu time spent up to now is 276.5 secs Computing kpt #: 156 total cpu time spent up to now is 278.2 secs Computing kpt #: 157 total cpu time spent up to now is 279.9 secs Computing kpt #: 158 total cpu time spent up to now is 281.6 secs Computing kpt #: 159 total cpu time spent up to now is 283.3 secs Computing kpt #: 160 total cpu time spent up to now is 285.1 secs Computing kpt #: 161 total cpu time spent up to now is 286.9 secs Computing kpt #: 162 total cpu time spent up to now is 288.6 secs Computing kpt #: 163 total cpu time spent up to now is 290.5 secs Computing kpt #: 164 total cpu time spent up to now is 292.2 secs Computing kpt #: 165 total cpu time spent up to now is 293.9 secs Computing kpt #: 166 total cpu time spent up to now is 295.7 secs Computing kpt #: 167 total cpu time spent up to now is 297.4 secs Computing kpt #: 168 total cpu time spent up to now is 299.2 secs Computing kpt #: 169 total cpu time spent up to now is 301.0 secs Computing kpt #: 170 total cpu time spent up to now is 302.8 secs Computing kpt #: 171 total cpu time spent up to now is 304.6 secs Computing kpt #: 172 total cpu time spent up to now is 306.3 secs Computing kpt #: 173 total cpu time spent up to now is 308.0 secs Computing kpt #: 174 total cpu time spent up to now is 309.6 secs Computing kpt #: 175 total cpu time spent up to now is 311.3 secs Computing kpt #: 176 total cpu time spent up to now is 312.8 secs Computing kpt #: 177 total cpu time spent up to now is 314.5 secs Computing kpt #: 178 total cpu time spent up to now is 316.0 secs Computing kpt #: 179 total cpu time spent up to now is 317.6 secs Computing kpt #: 180 total cpu time spent up to now is 319.2 secs Computing kpt #: 181 total cpu time spent up to now is 320.8 secs Computing kpt #: 182 total cpu time spent up to now is 322.4 secs Computing kpt #: 183 total cpu time spent up to now is 323.9 secs Computing kpt #: 184 total cpu time spent up to now is 325.6 secs Computing kpt #: 185 total cpu time spent up to now is 327.2 secs Computing kpt #: 186 total cpu time spent up to now is 329.1 secs Computing kpt #: 187 total cpu time spent up to now is 331.1 secs Computing kpt #: 188 total cpu time spent up to now is 332.8 secs Computing kpt #: 189 total cpu time spent up to now is 334.8 secs Computing kpt #: 190 total cpu time spent up to now is 336.4 secs Computing kpt #: 191 total cpu time spent up to now is 338.0 secs Computing kpt #: 192 total cpu time spent up to now is 339.5 secs Computing kpt #: 193 total cpu time spent up to now is 341.2 secs Computing kpt #: 194 total cpu time spent up to now is 342.8 secs Computing kpt #: 195 total cpu time spent up to now is 344.4 secs Computing kpt #: 196 total cpu time spent up to now is 346.1 secs Computing kpt #: 197 total cpu time spent up to now is 348.3 secs Computing kpt #: 198 total cpu time spent up to now is 350.7 secs Computing kpt #: 199 total cpu time spent up to now is 352.7 secs Computing kpt #: 200 total cpu time spent up to now is 354.9 secs Computing kpt #: 201 total cpu time spent up to now is 357.4 secs Computing kpt #: 202 total cpu time spent up to now is 359.6 secs Computing kpt #: 203 total cpu time spent up to now is 361.4 secs Computing kpt #: 204 total cpu time spent up to now is 363.1 secs Computing kpt #: 205 total cpu time spent up to now is 365.1 secs Computing kpt #: 206 total cpu time spent up to now is 367.1 secs Computing kpt #: 207 total cpu time spent up to now is 369.2 secs Computing kpt #: 208 total cpu time spent up to now is 371.2 secs Computing kpt #: 209 total cpu time spent up to now is 373.2 secs Computing kpt #: 210 total cpu time spent up to now is 375.3 secs Computing kpt #: 211 total cpu time spent up to now is 377.5 secs Computing kpt #: 212 total cpu time spent up to now is 379.5 secs Computing kpt #: 213 total cpu time spent up to now is 381.6 secs Computing kpt #: 214 total cpu time spent up to now is 383.5 secs Computing kpt #: 215 total cpu time spent up to now is 385.5 secs Computing kpt #: 216 total cpu time spent up to now is 387.5 secs Computing kpt #: 217 total cpu time spent up to now is 389.4 secs Computing kpt #: 218 total cpu time spent up to now is 391.3 secs Computing kpt #: 219 total cpu time spent up to now is 393.2 secs ethr = 1.52E-08, avg # of iterations = 28.2 total cpu time spent up to now is 393.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 8801 PWs) bands (ev): -21.8969 -21.8969 -21.8904 -21.8904 -13.3992 -13.3992 -11.1231 -11.1231 -11.1111 -11.1111 -11.1111 -11.1111 -10.6553 -10.6553 -10.6553 -10.6553 -8.8045 -8.8045 -6.6660 -6.6660 -6.6093 -6.6093 -5.8191 -5.8191 -5.8191 -5.8191 -5.7465 -5.7465 -5.7465 -5.7465 -2.4020 -2.4020 -2.2536 -2.2536 -2.2536 -2.2536 0.1974 0.1974 0.1974 0.1974 0.1977 0.1977 1.1716 1.1716 1.1716 1.1716 1.4438 1.4438 1.4438 1.4438 1.4960 1.4960 1.5059 1.5059 1.5359 1.5359 1.6837 1.6837 1.6837 1.6837 2.1814 2.1814 2.2470 2.2470 2.2470 2.2470 5.4191 5.4191 5.6895 5.6895 5.6895 5.6895 8.1268 8.1268 9.2250 9.2250 9.2250 9.2250 9.5315 9.5315 k = 0.0156-0.0090 0.0128 ( 8801 PWs) bands (ev): -21.8969 -21.8969 -21.8904 -21.8904 -13.3992 -13.3992 -11.1231 -11.1231 -11.1112 -11.1112 -11.1112 -11.1112 -10.6558 -10.6558 -10.6553 -10.6553 -8.8040 -8.8040 -6.6658 -6.6658 -6.6092 -6.6092 -5.8189 -5.8189 -5.8189 -5.8189 -5.7465 -5.7465 -5.7464 -5.7464 -2.4019 -2.4019 -2.2535 -2.2535 -2.2535 -2.2535 0.1967 0.1967 0.1981 0.1981 0.1984 0.1984 1.1685 1.1685 1.1716 1.1716 1.4431 1.4431 1.4432 1.4432 1.4875 1.4875 1.5054 1.5054 1.5421 1.5421 1.6832 1.6832 1.6868 1.6868 2.1804 2.1804 2.2455 2.2455 2.2465 2.2465 5.4200 5.4200 5.6902 5.6902 5.6905 5.6905 8.1302 8.1302 9.2272 9.2272 9.2278 9.2278 9.5339 9.5339 k = 0.0312-0.0180 0.0255 ( 8813 PWs) bands (ev): -21.8969 -21.8969 -21.8904 -21.8904 -13.3989 -13.3989 -11.1234 -11.1234 -11.1115 -11.1115 -11.1113 -11.1113 -10.6571 -10.6571 -10.6553 -10.6553 -8.8024 -8.8024 -6.6653 -6.6653 -6.6089 -6.6089 -5.8184 -5.8184 -5.8181 -5.8181 -5.7463 -5.7463 -5.7460 -5.7460 -2.4014 -2.4014 -2.2532 -2.2532 -2.2530 -2.2530 0.1944 0.1944 0.2001 0.2001 0.2006 0.2006 1.1595 1.1595 1.1715 1.1715 1.4411 1.4411 1.4416 1.4416 1.4699 1.4699 1.5037 1.5037 1.5526 1.5526 1.6817 1.6817 1.6962 1.6962 2.1773 2.1773 2.2410 2.2410 2.2449 2.2449 5.4224 5.4224 5.6924 5.6924 5.6932 5.6932 8.1405 8.1405 9.2338 9.2338 9.2363 9.2363 9.5408 9.5408 k = 0.0469-0.0271 0.0383 ( 8809 PWs) bands (ev): -21.8968 -21.8968 -21.8904 -21.8904 -13.3984 -13.3984 -11.1238 -11.1238 -11.1120 -11.1120 -11.1116 -11.1116 -10.6593 -10.6593 -10.6552 -10.6552 -8.7998 -8.7998 -6.6645 -6.6645 -6.6085 -6.6085 -5.8175 -5.8175 -5.8169 -5.8169 -5.7459 -5.7459 -5.7453 -5.7453 -2.4007 -2.4007 -2.2526 -2.2526 -2.2522 -2.2522 0.1905 0.1905 0.2036 0.2036 0.2043 0.2043 1.1447 1.1447 1.1713 1.1713 1.4368 1.4368 1.4389 1.4389 1.4507 1.4507 1.5010 1.5010 1.5610 1.5610 1.6792 1.6792 1.7117 1.7117 2.1720 2.1720 2.2335 2.2335 2.2427 2.2427 5.4265 5.4265 5.6960 5.6960 5.6978 5.6978 8.1576 8.1576 9.2448 9.2448 9.2503 9.2503 9.5524 9.5524 k = 0.0625-0.0361 0.0510 ( 8809 PWs) bands (ev): -21.8968 -21.8968 -21.8904 -21.8904 -13.3978 -13.3978 -11.1243 -11.1243 -11.1127 -11.1127 -11.1120 -11.1120 -10.6624 -10.6624 -10.6550 -10.6550 -8.7962 -8.7962 -6.6633 -6.6633 -6.6079 -6.6079 -5.8162 -5.8162 -5.8152 -5.8152 -5.7455 -5.7455 -5.7443 -5.7443 -2.3996 -2.3996 -2.2518 -2.2518 -2.2510 -2.2510 0.1852 0.1852 0.2084 0.2084 0.2095 0.2095 1.1245 1.1245 1.1711 1.1711 1.4236 1.4236 1.4352 1.4352 1.4381 1.4381 1.4972 1.4972 1.5661 1.5661 1.6758 1.6758 1.7327 1.7327 2.1643 2.1643 2.2231 2.2231 2.2400 2.2400 5.4321 5.4321 5.7009 5.7009 5.7041 5.7041 8.1814 8.1814 9.2601 9.2601 9.2699 9.2699 9.5685 9.5685 k = 0.0781-0.0451 0.0638 ( 8809 PWs) bands (ev): -21.8968 -21.8968 -21.8905 -21.8905 -13.3970 -13.3970 -11.1250 -11.1250 -11.1135 -11.1135 -11.1125 -11.1125 -10.6663 -10.6663 -10.6548 -10.6548 -8.7915 -8.7915 -6.6618 -6.6618 -6.6071 -6.6071 -5.8146 -5.8146 -5.8130 -5.8130 -5.7449 -5.7449 -5.7430 -5.7430 -2.3983 -2.3983 -2.2508 -2.2508 -2.2495 -2.2495 0.1784 0.1784 0.2145 0.2145 0.2162 0.2162 1.0994 1.0994 1.1708 1.1708 1.4026 1.4026 1.4305 1.4305 1.4317 1.4317 1.4924 1.4924 1.5682 1.5682 1.6715 1.6715 1.7580 1.7580 2.1538 2.1538 2.2098 2.2098 2.2371 2.2371 5.4391 5.4391 5.7071 5.7071 5.7122 5.7122 8.2118 8.2118 9.2797 9.2797 9.2950 9.2950 9.5889 9.5889 k = 0.0938-0.0541 0.0765 ( 8841 PWs) bands (ev): -21.8967 -21.8967 -21.8905 -21.8905 -13.3960 -13.3960 -11.1258 -11.1258 -11.1144 -11.1144 -11.1132 -11.1132 -10.6710 -10.6710 -10.6546 -10.6546 -8.7860 -8.7860 -6.6600 -6.6600 -6.6062 -6.6062 -5.8127 -5.8127 -5.8104 -5.8104 -5.7442 -5.7442 -5.7415 -5.7415 -2.3966 -2.3966 -2.2496 -2.2496 -2.2477 -2.2477 0.1702 0.1702 0.2220 0.2220 0.2243 0.2243 1.0700 1.0700 1.1705 1.1705 1.3798 1.3798 1.4248 1.4248 1.4253 1.4253 1.4866 1.4866 1.5679 1.5679 1.6664 1.6664 1.7865 1.7865 2.1405 2.1405 2.1938 2.1938 2.2345 2.2345 5.4475 5.4475 5.7145 5.7145 5.7219 5.7219 8.2485 8.2485 9.3036 9.3036 9.3253 9.3253 9.6137 9.6137 k = 0.1094-0.0631 0.0893 ( 8849 PWs) bands (ev): -21.8966 -21.8966 -21.8906 -21.8906 -13.3949 -13.3949 -11.1268 -11.1268 -11.1155 -11.1155 -11.1139 -11.1139 -10.6765 -10.6765 -10.6544 -10.6544 -8.7796 -8.7796 -6.6579 -6.6579 -6.6052 -6.6052 -5.8104 -5.8104 -5.8074 -5.8074 -5.7434 -5.7434 -5.7398 -5.7398 -2.3947 -2.3947 -2.2481 -2.2481 -2.2454 -2.2454 0.1608 0.1608 0.2308 0.2308 0.2339 0.2339 1.0368 1.0368 1.1702 1.1702 1.3563 1.3563 1.4181 1.4181 1.4181 1.4181 1.4798 1.4798 1.5658 1.5658 1.6606 1.6606 1.8175 1.8175 2.1246 2.1246 2.1752 2.1752 2.2320 2.2320 5.4571 5.4571 5.7230 5.7230 5.7331 5.7331 8.2914 8.2914 9.3316 9.3316 9.3608 9.3608 9.6425 9.6425 k = 0.1250-0.0722 0.1021 ( 8845 PWs) bands (ev): -21.8965 -21.8965 -21.8907 -21.8907 -13.3936 -13.3936 -11.1279 -11.1279 -11.1167 -11.1167 -11.1147 -11.1147 -10.6827 -10.6827 -10.6541 -10.6541 -8.7724 -8.7724 -6.6555 -6.6555 -6.6040 -6.6040 -5.8079 -5.8079 -5.8040 -5.8040 -5.7424 -5.7424 -5.7379 -5.7379 -2.3924 -2.3924 -2.2465 -2.2465 -2.2428 -2.2428 0.1502 0.1502 0.2409 0.2409 0.2449 0.2449 1.0004 1.0004 1.1698 1.1698 1.3319 1.3319 1.4100 1.4100 1.4107 1.4107 1.4721 1.4721 1.5625 1.5625 1.6541 1.6541 1.8500 1.8500 2.1061 2.1061 2.1541 2.1541 2.2298 2.2298 5.4678 5.4678 5.7325 5.7325 5.7457 5.7457 8.3403 8.3403 9.3637 9.3637 9.4011 9.4011 9.6752 9.6752 k = 0.1406-0.0812 0.1148 ( 8865 PWs) bands (ev): -21.8964 -21.8964 -21.8907 -21.8907 -13.3923 -13.3923 -11.1290 -11.1290 -11.1179 -11.1179 -11.1156 -11.1156 -10.6896 -10.6896 -10.6538 -10.6538 -8.7645 -8.7645 -6.6529 -6.6529 -6.6027 -6.6027 -5.8051 -5.8051 -5.8002 -5.8002 -5.7414 -5.7414 -5.7357 -5.7357 -2.3899 -2.3899 -2.2448 -2.2448 -2.2398 -2.2398 0.1385 0.1385 0.2523 0.2523 0.2572 0.2572 0.9612 0.9612 1.1693 1.1693 1.3068 1.3068 1.4010 1.4010 1.4024 1.4024 1.4636 1.4636 1.5582 1.5582 1.6471 1.6471 1.8835 1.8835 2.0858 2.0858 2.1306 2.1306 2.2279 2.2279 5.4795 5.4795 5.7429 5.7429 5.7596 5.7596 8.3949 8.3949 9.3996 9.3996 9.4463 9.4463 9.7114 9.7114 k = 0.1562-0.0902 0.1276 ( 8865 PWs) bands (ev): -21.8963 -21.8963 -21.8908 -21.8908 -13.3907 -13.3907 -11.1303 -11.1303 -11.1191 -11.1191 -11.1165 -11.1165 -10.6971 -10.6971 -10.6535 -10.6535 -8.7559 -8.7559 -6.6501 -6.6501 -6.6012 -6.6012 -5.8021 -5.8021 -5.7961 -5.7961 -5.7403 -5.7403 -5.7334 -5.7334 -2.3872 -2.3872 -2.2428 -2.2428 -2.2363 -2.2363 0.1258 0.1258 0.2649 0.2649 0.2710 0.2710 0.9200 0.9200 1.1688 1.1688 1.2807 1.2807 1.3911 1.3911 1.3935 1.3935 1.4542 1.4542 1.5532 1.5532 1.6396 1.6396 1.9166 1.9166 2.0646 2.0646 2.1050 2.1050 2.2262 2.2262 5.4920 5.4920 5.7540 5.7540 5.7748 5.7748 8.4549 8.4549 9.4394 9.4394 9.4958 9.4958 9.7510 9.7510 k = 0.1719-0.0992 0.1403 ( 8849 PWs) bands (ev): -21.8962 -21.8962 -21.8909 -21.8909 -13.3891 -13.3891 -11.1316 -11.1316 -11.1204 -11.1204 -11.1175 -11.1175 -10.7052 -10.7052 -10.6531 -10.6531 -8.7468 -8.7468 -6.6470 -6.6470 -6.5997 -6.5997 -5.7989 -5.7989 -5.7917 -5.7917 -5.7391 -5.7391 -5.7309 -5.7309 -2.3841 -2.3841 -2.2408 -2.2408 -2.2324 -2.2324 0.1123 0.1123 0.2788 0.2788 0.2861 0.2861 0.8770 0.8770 1.1683 1.1683 1.2539 1.2539 1.3805 1.3805 1.3839 1.3839 1.4442 1.4442 1.5477 1.5477 1.6318 1.6318 1.9461 1.9461 2.0457 2.0457 2.0774 2.0774 2.2248 2.2248 5.5051 5.5051 5.7657 5.7657 5.7909 5.7909 8.5200 8.5200 9.4827 9.4827 9.5496 9.5496 9.7934 9.7934 k = 0.1875-0.1083 0.1531 ( 8856 PWs) bands (ev): -21.8961 -21.8961 -21.8910 -21.8910 -13.3874 -13.3874 -11.1330 -11.1330 -11.1216 -11.1216 -11.1186 -11.1186 -10.7138 -10.7138 -10.6527 -10.6527 -8.7372 -8.7372 -6.6438 -6.6438 -6.5981 -6.5981 -5.7955 -5.7955 -5.7870 -5.7870 -5.7379 -5.7379 -5.7283 -5.7283 -2.3809 -2.3809 -2.2386 -2.2386 -2.2280 -2.2280 0.0981 0.0981 0.2938 0.2938 0.3026 0.3026 0.8327 0.8327 1.1678 1.1678 1.2264 1.2264 1.3692 1.3692 1.3738 1.3738 1.4335 1.4335 1.5418 1.5418 1.6237 1.6237 1.9615 1.9615 2.0397 2.0397 2.0479 2.0479 2.2235 2.2235 5.5187 5.5187 5.7779 5.7779 5.8080 5.8080 8.5898 8.5898 9.5295 9.5295 9.6072 9.6072 9.8382 9.8382 k = 0.2031-0.1173 0.1659 ( 8864 PWs) bands (ev): -21.8960 -21.8960 -21.8910 -21.8910 -13.3857 -13.3857 -11.1343 -11.1343 -11.1229 -11.1229 -11.1198 -11.1198 -10.7229 -10.7229 -10.6523 -10.6523 -8.7273 -8.7273 -6.6405 -6.6405 -6.5965 -6.5965 -5.7920 -5.7920 -5.7822 -5.7822 -5.7366 -5.7366 -5.7256 -5.7256 -2.3774 -2.3774 -2.2363 -2.2363 -2.2232 -2.2232 0.0833 0.0833 0.3099 0.3099 0.3203 0.3203 0.7875 0.7875 1.1672 1.1672 1.1983 1.1983 1.3572 1.3572 1.3633 1.3633 1.4221 1.4221 1.5357 1.5357 1.6154 1.6154 1.9509 1.9509 2.0169 2.0169 2.0582 2.0582 2.2226 2.2226 5.5326 5.5326 5.7904 5.7904 5.8258 5.8258 8.6640 8.6640 9.5795 9.5795 9.6684 9.6684 9.8850 9.8850 k = 0.2188-0.1263 0.1786 ( 8848 PWs) bands (ev): -21.8959 -21.8959 -21.8911 -21.8911 -13.3838 -13.3838 -11.1356 -11.1356 -11.1241 -11.1241 -11.1209 -11.1209 -10.7323 -10.7323 -10.6519 -10.6519 -8.7171 -8.7171 -6.6371 -6.6371 -6.5947 -6.5947 -5.7883 -5.7883 -5.7772 -5.7772 -5.7353 -5.7353 -5.7228 -5.7228 -2.3738 -2.3738 -2.2340 -2.2340 -2.2179 -2.2179 0.0681 0.0681 0.3270 0.3270 0.3392 0.3392 0.7419 0.7419 1.1666 1.1666 1.1699 1.1699 1.3448 1.3448 1.3525 1.3525 1.4103 1.4103 1.5294 1.5294 1.6071 1.6071 1.9260 1.9260 1.9845 1.9845 2.0895 2.0895 2.2220 2.2220 5.5467 5.5467 5.8031 5.8031 5.8442 5.8442 8.7422 8.7422 9.6325 9.6325 9.7326 9.7326 9.9333 9.9333 k = 0.2344-0.1353 0.1914 ( 8848 PWs) bands (ev): -21.8958 -21.8958 -21.8912 -21.8912 -13.3819 -13.3819 -11.1368 -11.1368 -11.1253 -11.1253 -11.1221 -11.1221 -10.7421 -10.7421 -10.6515 -10.6515 -8.7067 -8.7067 -6.6336 -6.6336 -6.5930 -6.5930 -5.7846 -5.7846 -5.7721 -5.7721 -5.7339 -5.7339 -5.7200 -5.7200 -2.3700 -2.3700 -2.2316 -2.2316 -2.2122 -2.2122 0.0526 0.0526 0.3450 0.3450 0.3592 0.3592 0.6963 0.6963 1.1412 1.1412 1.1660 1.1660 1.3319 1.3319 1.3415 1.3415 1.3981 1.3981 1.5231 1.5231 1.5988 1.5988 1.8960 1.8960 1.9510 1.9510 2.1240 2.1240 2.2222 2.2222 5.5609 5.5609 5.8159 5.8159 5.8631 5.8631 8.8239 8.8239 9.6881 9.6881 9.7996 9.7996 9.9826 9.9826 k = 0.2500-0.1443 0.2041 ( 8868 PWs) bands (ev): -21.8957 -21.8957 -21.8913 -21.8913 -13.3801 -13.3801 -11.1379 -11.1379 -11.1264 -11.1264 -11.1233 -11.1233 -10.7520 -10.7520 -10.6511 -10.6511 -8.6963 -8.6963 -6.6301 -6.6301 -6.5912 -6.5912 -5.7808 -5.7808 -5.7669 -5.7669 -5.7325 -5.7325 -5.7171 -5.7171 -2.3661 -2.3661 -2.2291 -2.2291 -2.2061 -2.2061 0.0370 0.0370 0.3637 0.3637 0.3803 0.3803 0.6511 0.6511 1.1126 1.1126 1.1655 1.1655 1.3187 1.3187 1.3303 1.3303 1.3856 1.3856 1.5168 1.5168 1.5906 1.5906 1.8636 1.8636 1.9165 1.9165 2.1578 2.1578 2.2244 2.2244 5.5749 5.5749 5.8286 5.8286 5.8823 5.8823 8.9088 8.9088 9.7461 9.7461 9.8688 9.8688 10.0326 10.0326 k = 0.2656-0.1534 0.2169 ( 8856 PWs) bands (ev): -21.8955 -21.8955 -21.8914 -21.8914 -13.3782 -13.3782 -11.1389 -11.1389 -11.1275 -11.1275 -11.1245 -11.1245 -10.7621 -10.7621 -10.6507 -10.6507 -8.6859 -8.6859 -6.6265 -6.6265 -6.5895 -6.5895 -5.7771 -5.7771 -5.7617 -5.7617 -5.7311 -5.7311 -5.7142 -5.7142 -2.3622 -2.3622 -2.2267 -2.2267 -2.1996 -2.1996 0.0215 0.0215 0.3826 0.3826 0.4025 0.4025 0.6071 0.6071 1.0842 1.0842 1.1649 1.1649 1.3054 1.3054 1.3191 1.3191 1.3728 1.3728 1.5106 1.5106 1.5826 1.5826 1.8299 1.8299 1.8815 1.8815 2.1856 2.1856 2.2327 2.2327 5.5887 5.5887 5.8412 5.8412 5.9016 5.9016 8.9964 8.9964 9.8060 9.8060 9.9397 9.9397 10.0830 10.0830 k = 0.2812-0.1624 0.2296 ( 8860 PWs) bands (ev): -21.8954 -21.8954 -21.8915 -21.8915 -13.3763 -13.3763 -11.1398 -11.1398 -11.1284 -11.1284 -11.1256 -11.1256 -10.7723 -10.7723 -10.6503 -10.6503 -8.6757 -8.6757 -6.6230 -6.6230 -6.5877 -6.5877 -5.7733 -5.7733 -5.7565 -5.7565 -5.7298 -5.7298 -5.7114 -5.7114 -2.3582 -2.3582 -2.2242 -2.2242 -2.1928 -2.1928 0.0061 0.0061 0.4010 0.4010 0.4255 0.4255 0.5652 0.5652 1.0563 1.0563 1.1643 1.1643 1.2919 1.2919 1.3080 1.3080 1.3599 1.3599 1.5046 1.5046 1.5748 1.5748 1.7954 1.7954 1.8460 1.8460 2.1998 2.1998 2.2543 2.2543 5.6022 5.6022 5.8534 5.8534 5.9209 5.9209 9.0860 9.0860 9.8674 9.8674 10.0117 10.0117 10.1335 10.1335 k = 0.2969-0.1714 0.2424 ( 8856 PWs) bands (ev): -21.8953 -21.8953 -21.8916 -21.8916 -13.3744 -13.3744 -11.1405 -11.1405 -11.1293 -11.1293 -11.1268 -11.1268 -10.7824 -10.7824 -10.6499 -10.6499 -8.6656 -8.6656 -6.6196 -6.6196 -6.5860 -6.5860 -5.7697 -5.7697 -5.7514 -5.7514 -5.7284 -5.7284 -5.7086 -5.7086 -2.3543 -2.3543 -2.2218 -2.2218 -2.1857 -2.1857 -0.0090 -0.0090 0.4166 0.4166 0.4492 0.4492 0.5280 0.5280 1.0292 1.0292 1.1637 1.1637 1.2785 1.2785 1.2971 1.2971 1.3469 1.3469 1.4987 1.4987 1.5672 1.5672 1.7605 1.7605 1.8105 1.8105 2.2042 2.2042 2.2849 2.2849 5.6151 5.6151 5.8653 5.8653 5.9400 5.9400 9.1771 9.1771 9.9299 9.9299 10.0843 10.0843 10.1843 10.1843 k = 0.3125-0.1804 0.2552 ( 8848 PWs) bands (ev): -21.8952 -21.8952 -21.8917 -21.8917 -13.3726 -13.3726 -11.1411 -11.1411 -11.1300 -11.1300 -11.1279 -11.1279 -10.7924 -10.7924 -10.6495 -10.6495 -8.6559 -8.6559 -6.6163 -6.6163 -6.5844 -6.5844 -5.7661 -5.7661 -5.7465 -5.7465 -5.7271 -5.7271 -5.7059 -5.7059 -2.3505 -2.3505 -2.2195 -2.2195 -2.1784 -2.1784 -0.0236 -0.0236 0.4218 0.4218 0.4736 0.4736 0.5032 0.5032 1.0030 1.0030 1.1632 1.1632 1.2652 1.2652 1.2863 1.2863 1.3340 1.3340 1.4931 1.4931 1.5600 1.5600 1.7257 1.7257 1.7752 1.7752 2.2053 2.2053 2.3175 2.3175 5.6275 5.6275 5.8766 5.8766 5.9587 5.9587 9.2691 9.2691 9.9928 9.9928 10.1567 10.1567 10.2352 10.2352 k = 0.3281-0.1894 0.2679 ( 8836 PWs) bands (ev): -21.8951 -21.8951 -21.8918 -21.8918 -13.3709 -13.3709 -11.1417 -11.1417 -11.1307 -11.1307 -11.1290 -11.1290 -10.8021 -10.8021 -10.6491 -10.6491 -8.6467 -8.6467 -6.6131 -6.6131 -6.5828 -6.5828 -5.7627 -5.7627 -5.7417 -5.7417 -5.7258 -5.7258 -5.7033 -5.7033 -2.3468 -2.3468 -2.2173 -2.2173 -2.1710 -2.1710 -0.0376 -0.0376 0.4060 0.4060 0.4984 0.4984 0.5017 0.5017 0.9780 0.9780 1.1627 1.1627 1.2521 1.2521 1.2759 1.2759 1.3212 1.3212 1.4877 1.4877 1.5532 1.5532 1.6913 1.6913 1.7406 1.7406 2.2054 2.2054 2.3497 2.3497 5.6392 5.6392 5.8873 5.8873 5.9769 5.9769 9.3611 9.3611 10.0554 10.0554 10.2281 10.2281 10.2865 10.2865 k = 0.3438-0.1985 0.2807 ( 8828 PWs) bands (ev): -21.8950 -21.8950 -21.8918 -21.8918 -13.3693 -13.3693 -11.1421 -11.1421 -11.1311 -11.1311 -11.1300 -11.1300 -10.8115 -10.8115 -10.6488 -10.6488 -8.6379 -8.6379 -6.6100 -6.6100 -6.5812 -6.5812 -5.7595 -5.7595 -5.7372 -5.7372 -5.7246 -5.7246 -5.7009 -5.7009 -2.3433 -2.3433 -2.2151 -2.2151 -2.1636 -2.1636 -0.0509 -0.0509 0.3769 0.3769 0.5158 0.5158 0.5235 0.5235 0.9544 0.9544 1.1623 1.1623 1.2393 1.2393 1.2658 1.2658 1.3087 1.3087 1.4827 1.4827 1.5468 1.5468 1.6576 1.6576 1.7069 1.7069 2.2051 2.2051 2.3806 2.3806 5.6502 5.6502 5.8974 5.8974 5.9943 5.9943 9.4524 9.4524 10.1170 10.1170 10.2979 10.2979 10.3380 10.3380 k = 0.3594-0.2075 0.2934 ( 8836 PWs) bands (ev): -21.8949 -21.8949 -21.8919 -21.8919 -13.3678 -13.3678 -11.1425 -11.1425 -11.1313 -11.1313 -11.1309 -11.1309 -10.8205 -10.8205 -10.6484 -10.6484 -8.6297 -8.6297 -6.6072 -6.6072 -6.5798 -6.5798 -5.7564 -5.7564 -5.7330 -5.7330 -5.7234 -5.7234 -5.6986 -5.6986 -2.3400 -2.3400 -2.2131 -2.2131 -2.1563 -2.1563 -0.0633 -0.0633 0.3449 0.3449 0.5351 0.5351 0.5485 0.5485 0.9324 0.9324 1.1618 1.1618 1.2269 1.2269 1.2560 1.2560 1.2966 1.2966 1.4780 1.4780 1.5409 1.5409 1.6252 1.6252 1.6746 1.6746 2.2047 2.2047 2.4096 2.4096 5.6603 5.6603 5.9067 5.9067 6.0109 6.0109 9.5421 9.5421 10.1768 10.1768 10.3649 10.3649 10.3900 10.3900 k = 0.3750-0.2165 0.3062 ( 8840 PWs) bands (ev): -21.8948 -21.8948 -21.8920 -21.8920 -13.3663 -13.3663 -11.1428 -11.1428 -11.1318 -11.1318 -11.1314 -11.1314 -10.8289 -10.8289 -10.6481 -10.6481 -8.6222 -8.6222 -6.6046 -6.6046 -6.5785 -6.5785 -5.7536 -5.7536 -5.7291 -5.7291 -5.7223 -5.7223 -5.6965 -5.6965 -2.3370 -2.3370 -2.2113 -2.2113 -2.1493 -2.1493 -0.0748 -0.0748 0.3139 0.3139 0.5559 0.5559 0.5731 0.5731 0.9122 0.9122 1.1615 1.1615 1.2150 1.2150 1.2465 1.2465 1.2850 1.2850 1.4738 1.4738 1.5355 1.5355 1.5944 1.5944 1.6441 1.6441 2.2041 2.2041 2.4365 2.4365 5.6696 5.6696 5.9151 5.9151 6.0263 6.0263 9.6289 9.6289 10.2337 10.2337 10.4280 10.4280 10.4426 10.4426 k = 0.3906-0.2255 0.3189 ( 8848 PWs) bands (ev): -21.8947 -21.8947 -21.8920 -21.8920 -13.3651 -13.3651 -11.1431 -11.1431 -11.1326 -11.1326 -11.1313 -11.1313 -10.8366 -10.8366 -10.6478 -10.6478 -8.6154 -8.6154 -6.6022 -6.6022 -6.5773 -6.5773 -5.7511 -5.7511 -5.7257 -5.7257 -5.7212 -5.7212 -5.6945 -5.6945 -2.3342 -2.3342 -2.2096 -2.2096 -2.1426 -2.1426 -0.0851 -0.0851 0.2851 0.2851 0.5768 0.5768 0.5970 0.5970 0.8939 0.8939 1.1611 1.1611 1.2036 1.2036 1.2372 1.2372 1.2743 1.2743 1.4699 1.4699 1.5306 1.5306 1.5657 1.5657 1.6159 1.6159 2.2036 2.2036 2.4608 2.4608 5.6778 5.6778 5.9227 5.9227 6.0405 6.0405 9.7118 9.7118 10.2866 10.2866 10.4858 10.4858 10.4959 10.4959 k = 0.4062-0.2345 0.3317 ( 8852 PWs) bands (ev): -21.8946 -21.8946 -21.8921 -21.8921 -13.3639 -13.3639 -11.1434 -11.1434 -11.1333 -11.1333 -11.1311 -11.1311 -10.8436 -10.8436 -10.6476 -10.6476 -8.6094 -8.6094 -6.6001 -6.6001 -6.5763 -6.5763 -5.7488 -5.7488 -5.7230 -5.7230 -5.7199 -5.7199 -5.6928 -5.6928 -2.3317 -2.3317 -2.2081 -2.2081 -2.1365 -2.1365 -0.0943 -0.0943 0.2593 0.2593 0.5969 0.5969 0.6197 0.6197 0.8778 0.8778 1.1609 1.1609 1.1929 1.1929 1.2282 1.2282 1.2646 1.2646 1.4664 1.4664 1.5263 1.5263 1.5395 1.5395 1.5905 1.5905 2.2031 2.2031 2.4823 2.4823 5.6851 5.6851 5.9294 5.9294 6.0532 6.0532 9.7892 9.7892 10.3346 10.3346 10.5388 10.5388 10.5482 10.5482 k = 0.4219-0.2436 0.3445 ( 8844 PWs) bands (ev): -21.8945 -21.8945 -21.8921 -21.8921 -13.3629 -13.3629 -11.1436 -11.1436 -11.1339 -11.1339 -11.1308 -11.1308 -10.8498 -10.8498 -10.6474 -10.6474 -8.6042 -8.6042 -6.5982 -6.5982 -6.5754 -6.5754 -5.7469 -5.7469 -5.7212 -5.7212 -5.7182 -5.7182 -5.6914 -5.6914 -2.3296 -2.3296 -2.2068 -2.2068 -2.1311 -2.1311 -0.1022 -0.1022 0.2368 0.2368 0.6156 0.6156 0.6406 0.6406 0.8639 0.8639 1.1607 1.1607 1.1831 1.1831 1.2195 1.2195 1.2562 1.2562 1.4633 1.4633 1.5165 1.5165 1.5224 1.5224 1.5683 1.5683 2.2027 2.2027 2.5009 2.5009 5.6913 5.6913 5.9351 5.9351 6.0643 6.0643 9.8596 9.8596 10.3764 10.3764 10.5878 10.5878 10.5969 10.5969 k = 0.4375-0.2526 0.3572 ( 8852 PWs) bands (ev): -21.8945 -21.8945 -21.8922 -21.8922 -13.3621 -13.3621 -11.1439 -11.1439 -11.1344 -11.1344 -11.1305 -11.1305 -10.8549 -10.8549 -10.6472 -10.6472 -8.5999 -8.5999 -6.5967 -6.5967 -6.5746 -6.5746 -5.7453 -5.7453 -5.7202 -5.7202 -5.7163 -5.7163 -5.6902 -5.6902 -2.3279 -2.3279 -2.2057 -2.2057 -2.1264 -2.1264 -0.1088 -0.1088 0.2179 0.2179 0.6322 0.6322 0.6592 0.6592 0.8524 0.8524 1.1605 1.1605 1.1745 1.1745 1.2113 1.2113 1.2492 1.2492 1.4606 1.4606 1.4970 1.4970 1.5190 1.5190 1.5497 1.5497 2.2023 2.2023 2.5164 2.5164 5.6964 5.6964 5.9399 5.9399 6.0737 6.0737 9.9212 9.9212 10.4112 10.4112 10.6307 10.6307 10.6421 10.6421 k = 0.4531-0.2616 0.3700 ( 8848 PWs) bands (ev): -21.8945 -21.8945 -21.8922 -21.8922 -13.3615 -13.3615 -11.1441 -11.1441 -11.1348 -11.1348 -11.1301 -11.1301 -10.8590 -10.8590 -10.6471 -10.6471 -8.5965 -8.5965 -6.5955 -6.5955 -6.5740 -6.5740 -5.7440 -5.7440 -5.7196 -5.7196 -5.7147 -5.7147 -5.6892 -5.6892 -2.3265 -2.3265 -2.2049 -2.2049 -2.1226 -2.1226 -0.1140 -0.1140 0.2031 0.2031 0.6461 0.6461 0.6747 0.6747 0.8433 0.8433 1.1604 1.1604 1.1672 1.1672 1.2039 1.2039 1.2439 1.2439 1.4582 1.4582 1.4817 1.4817 1.5159 1.5159 1.5355 1.5355 2.2020 2.2020 2.5286 2.5286 5.7004 5.7004 5.9436 5.9436 6.0811 6.0811 9.9722 9.9722 10.4384 10.4384 10.6645 10.6645 10.6842 10.6842 k = 0.4688-0.2706 0.3827 ( 8856 PWs) bands (ev): -21.8944 -21.8944 -21.8922 -21.8922 -13.3610 -13.3610 -11.1442 -11.1442 -11.1351 -11.1351 -11.1298 -11.1298 -10.8621 -10.8621 -10.6470 -10.6470 -8.5940 -8.5940 -6.5947 -6.5947 -6.5736 -6.5736 -5.7431 -5.7431 -5.7192 -5.7192 -5.7135 -5.7135 -5.6885 -5.6885 -2.3255 -2.3255 -2.2042 -2.2042 -2.1199 -2.1199 -0.1177 -0.1177 0.1923 0.1923 0.6565 0.6565 0.6864 0.6864 0.8368 0.8368 1.1604 1.1604 1.1617 1.1617 1.1981 1.1981 1.2401 1.2401 1.4557 1.4557 1.4713 1.4713 1.5128 1.5128 1.5260 1.5260 2.2017 2.2017 2.5374 2.5374 5.7033 5.7033 5.9462 5.9462 6.0864 6.0864 10.0104 10.0104 10.4577 10.4577 10.6889 10.6889 10.7198 10.7198 k = 0.4844-0.2797 0.3955 ( 8880 PWs) bands (ev): -21.8944 -21.8944 -21.8922 -21.8922 -13.3607 -13.3607 -11.1443 -11.1443 -11.1353 -11.1353 -11.1296 -11.1296 -10.8639 -10.8639 -10.6469 -10.6469 -8.5926 -8.5926 -6.5941 -6.5941 -6.5733 -6.5733 -5.7425 -5.7425 -5.7189 -5.7189 -5.7127 -5.7127 -5.6881 -5.6881 -2.3249 -2.3249 -2.2039 -2.2039 -2.1182 -2.1182 -0.1200 -0.1200 0.1858 0.1858 0.6631 0.6631 0.6937 0.6937 0.8329 0.8329 1.1582 1.1582 1.1604 1.1604 1.1943 1.1943 1.2378 1.2378 1.4533 1.4533 1.4657 1.4657 1.5098 1.5098 1.5214 1.5214 2.2016 2.2016 2.5427 2.5427 5.7051 5.7051 5.9478 5.9478 6.0897 6.0897 10.0342 10.0342 10.4691 10.4691 10.7036 10.7036 10.7443 10.7443 k = 0.5000-0.2887 0.4082 ( 8904 PWs) bands (ev): -21.8944 -21.8944 -21.8923 -21.8923 -13.3606 -13.3606 -11.1443 -11.1443 -11.1353 -11.1353 -11.1296 -11.1296 -10.8645 -10.8645 -10.6469 -10.6469 -8.5921 -8.5921 -6.5940 -6.5940 -6.5732 -6.5732 -5.7423 -5.7423 -5.7188 -5.7188 -5.7125 -5.7125 -5.6879 -5.6879 -2.3247 -2.3247 -2.2037 -2.2037 -2.1176 -2.1176 -0.1208 -0.1208 0.1836 0.1836 0.6653 0.6653 0.6962 0.6962 0.8316 0.8316 1.1570 1.1570 1.1604 1.1604 1.1929 1.1929 1.2371 1.2371 1.4523 1.4523 1.4642 1.4642 1.5085 1.5085 1.5201 1.5201 2.2015 2.2015 2.5444 2.5444 5.7056 5.7056 5.9484 5.9484 6.0908 6.0908 10.0423 10.0423 10.4729 10.4729 10.7086 10.7086 10.7533 10.7533 k = 0.5000-0.2887 0.4082 ( 8904 PWs) bands (ev): -21.8944 -21.8944 -21.8923 -21.8923 -13.3606 -13.3606 -11.1443 -11.1443 -11.1353 -11.1353 -11.1296 -11.1296 -10.8645 -10.8645 -10.6469 -10.6469 -8.5921 -8.5921 -6.5940 -6.5940 -6.5732 -6.5732 -5.7423 -5.7423 -5.7188 -5.7188 -5.7125 -5.7125 -5.6879 -5.6879 -2.3247 -2.3247 -2.2037 -2.2037 -2.1176 -2.1176 -0.1208 -0.1208 0.1836 0.1836 0.6653 0.6653 0.6962 0.6962 0.8316 0.8316 1.1570 1.1570 1.1604 1.1604 1.1929 1.1929 1.2371 1.2371 1.4523 1.4523 1.4642 1.4642 1.5085 1.5085 1.5201 1.5201 2.2015 2.2015 2.5444 2.5444 5.7056 5.7056 5.9484 5.9484 6.0908 6.0908 10.0423 10.0423 10.4729 10.4729 10.7086 10.7086 10.7533 10.7533 k = 0.5000-0.2706 0.4210 ( 8868 PWs) bands (ev): -21.8944 -21.8944 -21.8923 -21.8923 -13.3606 -13.3606 -11.1445 -11.1445 -11.1355 -11.1355 -11.1296 -11.1296 -10.8638 -10.8638 -10.6472 -10.6472 -8.5921 -8.5921 -6.5939 -6.5939 -6.5733 -6.5733 -5.7422 -5.7422 -5.7188 -5.7188 -5.7125 -5.7125 -5.6880 -5.6880 -2.3247 -2.3247 -2.2037 -2.2037 -2.1178 -2.1178 -0.1196 -0.1196 0.1852 0.1852 0.6608 0.6608 0.6923 0.6923 0.8390 0.8390 1.1368 1.1368 1.1705 1.1705 1.1998 1.1998 1.2374 1.2374 1.4539 1.4539 1.4636 1.4636 1.5100 1.5100 1.5198 1.5198 2.2003 2.2003 2.5446 2.5446 5.7057 5.7057 5.9484 5.9484 6.0905 6.0905 10.0442 10.0442 10.4749 10.4749 10.7095 10.7095 10.7537 10.7537 k = 0.5000-0.2526 0.4338 ( 8848 PWs) bands (ev): -21.8944 -21.8944 -21.8923 -21.8923 -13.3606 -13.3606 -11.1450 -11.1450 -11.1360 -11.1360 -11.1297 -11.1297 -10.8616 -10.8616 -10.6482 -10.6482 -8.5922 -8.5922 -6.5938 -6.5938 -6.5734 -6.5734 -5.7419 -5.7419 -5.7189 -5.7189 -5.7125 -5.7125 -5.6884 -5.6884 -2.3248 -2.3248 -2.2036 -2.2036 -2.1185 -2.1185 -0.1162 -0.1162 0.1901 0.1901 0.6450 0.6450 0.6868 0.6868 0.8575 0.8575 1.1106 1.1106 1.1731 1.1731 1.2114 1.2114 1.2412 1.2412 1.4582 1.4582 1.4618 1.4618 1.5138 1.5138 1.5200 1.5200 2.1967 2.1967 2.5449 2.5449 5.7058 5.7058 5.9486 5.9486 6.0896 6.0896 10.0498 10.0498 10.4809 10.4809 10.7125 10.7125 10.7549 10.7549 k = 0.5000-0.2345 0.4465 ( 8844 PWs) bands (ev): -21.8944 -21.8944 -21.8923 -21.8923 -13.3606 -13.3606 -11.1460 -11.1460 -11.1367 -11.1367 -11.1299 -11.1299 -10.8580 -10.8580 -10.6498 -10.6498 -8.5924 -8.5924 -6.5935 -6.5935 -6.5736 -6.5736 -5.7413 -5.7413 -5.7189 -5.7189 -5.7125 -5.7125 -5.6889 -5.6889 -2.3249 -2.3249 -2.2034 -2.2034 -2.1197 -2.1197 -0.1105 -0.1105 0.1981 0.1981 0.6189 0.6189 0.6842 0.6842 0.8816 0.8816 1.0821 1.0821 1.1729 1.1729 1.2145 1.2145 1.2539 1.2539 1.4587 1.4587 1.4632 1.4632 1.5137 1.5137 1.5280 1.5280 2.1906 2.1906 2.5455 2.5455 5.7059 5.7059 5.9489 5.9489 6.0880 6.0880 10.0592 10.0592 10.4907 10.4907 10.7173 10.7173 10.7566 10.7566 k = 0.5000-0.2165 0.4593 ( 8846 PWs) bands (ev): -21.8943 -21.8943 -21.8923 -21.8923 -13.3606 -13.3606 -11.1475 -11.1475 -11.1374 -11.1374 -11.1301 -11.1301 -10.8533 -10.8533 -10.6520 -10.6520 -8.5926 -8.5926 -6.5932 -6.5932 -6.5738 -6.5738 -5.7406 -5.7406 -5.7189 -5.7189 -5.7125 -5.7125 -5.6896 -5.6896 -2.3250 -2.3250 -2.2031 -2.2031 -2.1212 -2.1212 -0.1025 -0.1025 0.2092 0.2092 0.5873 0.5873 0.6833 0.6833 0.9078 0.9078 1.0520 1.0520 1.1716 1.1716 1.2116 1.2116 1.2715 1.2715 1.4542 1.4542 1.4674 1.4674 1.5107 1.5107 1.5437 1.5437 2.1822 2.1822 2.5463 2.5463 5.7061 5.7061 5.9494 5.9494 6.0859 6.0859 10.0723 10.0723 10.5044 10.5044 10.7240 10.7240 10.7586 10.7586 k = 0.5000-0.1985 0.4720 ( 8826 PWs) bands (ev): -21.8943 -21.8943 -21.8924 -21.8924 -13.3605 -13.3605 -11.1496 -11.1496 -11.1380 -11.1380 -11.1302 -11.1302 -10.8474 -10.8474 -10.6549 -10.6549 -8.5929 -8.5929 -6.5928 -6.5928 -6.5742 -6.5742 -5.7397 -5.7397 -5.7190 -5.7190 -5.7125 -5.7125 -5.6905 -5.6905 -2.3252 -2.3252 -2.2026 -2.2026 -2.1231 -2.1231 -0.0924 -0.0924 0.2232 0.2232 0.5529 0.5529 0.6830 0.6830 0.9344 0.9344 1.0207 1.0207 1.1698 1.1698 1.2071 1.2071 1.2898 1.2898 1.4483 1.4483 1.4701 1.4701 1.5069 1.5069 1.5649 1.5649 2.1713 2.1713 2.5472 2.5472 5.7062 5.7062 5.9502 5.9502 6.0833 6.0833 10.0892 10.0892 10.5217 10.5217 10.7326 10.7326 10.7602 10.7602 k = 0.5000-0.1804 0.4848 ( 8822 PWs) bands (ev): -21.8942 -21.8942 -21.8924 -21.8924 -13.3605 -13.3605 -11.1523 -11.1523 -11.1384 -11.1384 -11.1304 -11.1304 -10.8406 -10.8406 -10.6583 -10.6583 -8.5932 -8.5932 -6.5923 -6.5923 -6.5746 -6.5746 -5.7386 -5.7386 -5.7191 -5.7191 -5.7125 -5.7125 -5.6915 -5.6915 -2.3254 -2.3254 -2.2020 -2.2020 -2.1254 -2.1254 -0.0800 -0.0800 0.2398 0.2398 0.5171 0.5171 0.6831 0.6831 0.9596 0.9596 0.9893 0.9893 1.1676 1.1676 1.2027 1.2027 1.3075 1.3075 1.4406 1.4406 1.4716 1.4716 1.5027 1.5027 1.5903 1.5903 2.1582 2.1582 2.5483 2.5483 5.7063 5.7063 5.9512 5.9512 6.0801 6.0801 10.1096 10.1096 10.5426 10.5426 10.7428 10.7428 10.7607 10.7607 k = 0.5000-0.1624 0.4976 ( 8816 PWs) bands (ev): -21.8942 -21.8942 -21.8925 -21.8925 -13.3605 -13.3605 -11.1552 -11.1552 -11.1386 -11.1386 -11.1305 -11.1305 -10.8331 -10.8331 -10.6623 -10.6623 -8.5935 -8.5935 -6.5918 -6.5918 -6.5750 -6.5750 -5.7373 -5.7373 -5.7192 -5.7192 -5.7125 -5.7125 -5.6927 -5.6927 -2.3257 -2.3257 -2.2012 -2.2012 -2.1279 -2.1279 -0.0655 -0.0655 0.2587 0.2587 0.4805 0.4805 0.6833 0.6833 0.9524 0.9524 0.9887 0.9887 1.1652 1.1652 1.1990 1.1990 1.3242 1.3242 1.4313 1.4313 1.4722 1.4722 1.4983 1.4983 1.6187 1.6187 2.1428 2.1428 2.5495 2.5495 5.7063 5.7063 5.9527 5.9527 6.0765 6.0765 10.1337 10.1337 10.5667 10.5667 10.7548 10.7548 10.7590 10.7590 k = 0.5000-0.1443 0.5103 ( 8814 PWs) bands (ev): -21.8941 -21.8941 -21.8926 -21.8926 -13.3604 -13.3604 -11.1583 -11.1583 -11.1387 -11.1387 -11.1307 -11.1307 -10.8251 -10.8251 -10.6668 -10.6668 -8.5939 -8.5939 -6.5912 -6.5912 -6.5755 -6.5755 -5.7359 -5.7359 -5.7193 -5.7193 -5.7125 -5.7125 -5.6941 -5.6941 -2.3260 -2.3260 -2.2003 -2.2003 -2.1307 -2.1307 -0.0488 -0.0488 0.2794 0.2794 0.4440 0.4440 0.6836 0.6836 0.9193 0.9193 1.0123 1.0123 1.1627 1.1627 1.1967 1.1967 1.3398 1.3398 1.4201 1.4201 1.4720 1.4720 1.4941 1.4941 1.6494 1.6494 2.1252 2.1252 2.5507 2.5507 5.7061 5.7061 5.9545 5.9545 6.0725 6.0725 10.1612 10.1612 10.5938 10.5938 10.7536 10.7536 10.7682 10.7682 k = 0.5000-0.1263 0.5231 ( 8822 PWs) bands (ev): -21.8940 -21.8940 -21.8926 -21.8926 -13.3604 -13.3604 -11.1614 -11.1614 -11.1388 -11.1388 -11.1308 -11.1308 -10.8167 -10.8167 -10.6717 -10.6717 -8.5943 -8.5943 -6.5905 -6.5905 -6.5761 -6.5761 -5.7344 -5.7344 -5.7194 -5.7194 -5.7125 -5.7125 -5.6955 -5.6955 -2.3263 -2.3263 -2.1991 -2.1991 -2.1336 -2.1336 -0.0301 -0.0301 0.3006 0.3006 0.4087 0.4087 0.6840 0.6840 0.8853 0.8853 1.0348 1.0348 1.1601 1.1601 1.1964 1.1964 1.3543 1.3543 1.4073 1.4073 1.4711 1.4711 1.4901 1.4901 1.6817 1.6817 2.1055 2.1055 2.5519 2.5519 5.7059 5.7059 5.9568 5.9568 6.0682 6.0682 10.1922 10.1922 10.6236 10.6236 10.7429 10.7429 10.7829 10.7829 k = 0.5000-0.1083 0.5358 ( 8828 PWs) bands (ev): -21.8939 -21.8939 -21.8927 -21.8927 -13.3603 -13.3603 -11.1643 -11.1643 -11.1388 -11.1388 -11.1309 -11.1309 -10.8083 -10.8083 -10.6769 -10.6769 -8.5946 -8.5946 -6.5899 -6.5899 -6.5766 -6.5766 -5.7328 -5.7328 -5.7196 -5.7196 -5.7125 -5.7125 -5.6969 -5.6969 -2.3267 -2.3267 -2.1978 -2.1978 -2.1366 -2.1366 -0.0095 -0.0095 0.3181 0.3181 0.3786 0.3786 0.6844 0.6844 0.8513 0.8513 1.0553 1.0553 1.1573 1.1573 1.1985 1.1985 1.3676 1.3676 1.3931 1.3931 1.4695 1.4695 1.4867 1.4867 1.7150 1.7150 2.0838 2.0838 2.5531 2.5531 5.7056 5.7056 5.9594 5.9594 6.0638 6.0638 10.2264 10.2264 10.6557 10.6557 10.7252 10.7252 10.7987 10.7987 k = 0.5000-0.0902 0.5486 ( 8828 PWs) bands (ev): -21.8938 -21.8938 -21.8928 -21.8928 -13.3603 -13.3603 -11.1670 -11.1670 -11.1387 -11.1387 -11.1311 -11.1311 -10.7999 -10.7999 -10.6823 -10.6823 -8.5949 -8.5949 -6.5892 -6.5892 -6.5772 -6.5772 -5.7311 -5.7311 -5.7198 -5.7198 -5.7125 -5.7125 -5.6984 -5.6984 -2.3271 -2.3271 -2.1963 -2.1963 -2.1396 -2.1396 0.0131 0.0131 0.3133 0.3133 0.3720 0.3720 0.6848 0.6848 0.8180 0.8180 1.0730 1.0730 1.1545 1.1545 1.2037 1.2037 1.3767 1.3767 1.3806 1.3806 1.4670 1.4670 1.4839 1.4839 1.7489 1.7489 2.0603 2.0603 2.5542 2.5542 5.7053 5.7053 5.9622 5.9622 6.0594 6.0594 10.2637 10.2637 10.6893 10.6893 10.6998 10.6998 10.8153 10.8153 k = 0.5000-0.0722 0.5613 ( 8836 PWs) bands (ev): -21.8937 -21.8937 -21.8929 -21.8929 -13.3602 -13.3602 -11.1693 -11.1693 -11.1387 -11.1387 -11.1312 -11.1312 -10.7920 -10.7920 -10.6877 -10.6877 -8.5952 -8.5952 -6.5886 -6.5886 -6.5778 -6.5778 -5.7295 -5.7295 -5.7201 -5.7201 -5.7126 -5.7126 -5.6997 -5.6997 -2.3274 -2.3274 -2.1948 -2.1948 -2.1423 -2.1423 0.0375 0.0375 0.2849 0.2849 0.3894 0.3894 0.6853 0.6853 0.7863 0.7863 1.0874 1.0874 1.1515 1.1515 1.2122 1.2122 1.3607 1.3607 1.3910 1.3910 1.4636 1.4636 1.4820 1.4820 1.7830 1.7830 2.0349 2.0349 2.5551 2.5551 5.7049 5.7049 5.9651 5.9651 6.0552 6.0552 10.3039 10.3039 10.6656 10.6656 10.7251 10.7251 10.8325 10.8325 k = 0.5000-0.0541 0.5741 ( 8836 PWs) bands (ev): -21.8936 -21.8936 -21.8930 -21.8930 -13.3602 -13.3602 -11.1711 -11.1711 -11.1387 -11.1387 -11.1313 -11.1313 -10.7850 -10.7850 -10.6927 -10.6927 -8.5954 -8.5954 -6.5880 -6.5880 -6.5783 -6.5783 -5.7280 -5.7280 -5.7205 -5.7205 -5.7126 -5.7126 -5.7009 -5.7009 -2.3277 -2.3277 -2.1934 -2.1934 -2.1447 -2.1447 0.0636 0.0636 0.2517 0.2517 0.4108 0.4108 0.6860 0.6860 0.7574 0.7574 1.0984 1.0984 1.1486 1.1486 1.2238 1.2238 1.3436 1.3436 1.4007 1.4007 1.4595 1.4595 1.4806 1.4806 1.8170 1.8170 2.0079 2.0079 2.5559 2.5559 5.7045 5.7045 5.9678 5.9678 6.0514 6.0514 10.3466 10.3466 10.6256 10.6256 10.7605 10.7605 10.8498 10.8498 k = 0.5000-0.0361 0.5869 ( 8820 PWs) bands (ev): -21.8935 -21.8935 -21.8931 -21.8931 -13.3602 -13.3602 -11.1725 -11.1725 -11.1386 -11.1386 -11.1313 -11.1313 -10.7792 -10.7792 -10.6970 -10.6970 -8.5956 -8.5956 -6.5875 -6.5875 -6.5788 -6.5788 -5.7266 -5.7266 -5.7210 -5.7210 -5.7126 -5.7126 -5.7019 -5.7019 -2.3279 -2.3279 -2.1923 -2.1923 -2.1467 -2.1467 0.0912 0.0912 0.2183 0.2183 0.4301 0.4301 0.6869 0.6869 0.7331 0.7331 1.1061 1.1061 1.1460 1.1460 1.2372 1.2372 1.3268 1.3268 1.4088 1.4088 1.4553 1.4553 1.4798 1.4798 1.8504 1.8504 1.9796 1.9796 2.5565 2.5565 5.7043 5.7043 5.9701 5.9701 6.0484 6.0484 10.3916 10.3916 10.5811 10.5811 10.7943 10.7943 10.8669 10.8669 k = 0.5000-0.0180 0.5996 ( 8800 PWs) bands (ev): -21.8934 -21.8934 -21.8932 -21.8932 -13.3602 -13.3602 -11.1733 -11.1733 -11.1386 -11.1386 -11.1314 -11.1314 -10.7753 -10.7753 -10.7000 -10.7000 -8.5957 -8.5957 -6.5872 -6.5872 -6.5791 -6.5791 -5.7255 -5.7255 -5.7214 -5.7214 -5.7126 -5.7126 -5.7025 -5.7025 -2.3281 -2.3281 -2.1915 -2.1915 -2.1479 -2.1479 0.1199 0.1199 0.1860 0.1860 0.4437 0.4437 0.6882 0.6882 0.7158 0.7158 1.1107 1.1107 1.1441 1.1441 1.2501 1.2501 1.3122 1.3122 1.4146 1.4146 1.4518 1.4518 1.4794 1.4794 1.8826 1.8826 1.9505 1.9505 2.5569 2.5569 5.7041 5.7041 5.9716 5.9716 6.0464 6.0464 10.4382 10.4382 10.5342 10.5342 10.8220 10.8220 10.8836 10.8836 k = 0.5000-0.0000 0.6124 ( 8792 PWs) bands (ev): -21.8933 -21.8933 -21.8933 -21.8933 -13.3602 -13.3602 -11.1736 -11.1736 -11.1386 -11.1386 -11.1314 -11.1314 -10.7740 -10.7740 -10.7010 -10.7010 -8.5957 -8.5957 -6.5870 -6.5870 -6.5792 -6.5792 -5.7250 -5.7250 -5.7217 -5.7217 -5.7126 -5.7126 -5.7028 -5.7028 -2.3281 -2.3281 -2.1912 -2.1912 -2.1483 -2.1483 0.1422 0.1422 0.1624 0.1624 0.4487 0.4487 0.6893 0.6893 0.7091 0.7091 1.1123 1.1123 1.1434 1.1434 1.2563 1.2563 1.3054 1.3054 1.4169 1.4169 1.4504 1.4504 1.4792 1.4792 1.9052 1.9052 1.9289 1.9289 2.5570 2.5570 5.7040 5.7040 5.9721 5.9721 6.0457 6.0457 10.4827 10.4827 10.4895 10.4895 10.8340 10.8340 10.8988 10.8988 k = 0.5000-0.0000 0.6124 ( 8792 PWs) bands (ev): -21.8933 -21.8933 -21.8933 -21.8933 -13.3602 -13.3602 -11.1736 -11.1736 -11.1386 -11.1386 -11.1314 -11.1314 -10.7740 -10.7740 -10.7010 -10.7010 -8.5957 -8.5957 -6.5870 -6.5870 -6.5792 -6.5792 -5.7250 -5.7250 -5.7217 -5.7217 -5.7126 -5.7126 -5.7028 -5.7028 -2.3281 -2.3281 -2.1912 -2.1912 -2.1483 -2.1483 0.1422 0.1422 0.1624 0.1624 0.4487 0.4487 0.6893 0.6893 0.7091 0.7091 1.1123 1.1123 1.1434 1.1434 1.2563 1.2563 1.3054 1.3054 1.4169 1.4169 1.4504 1.4504 1.4792 1.4792 1.9052 1.9052 1.9289 1.9289 2.5570 2.5570 5.7040 5.7040 5.9721 5.9721 6.0457 6.0457 10.4827 10.4827 10.4895 10.4895 10.8340 10.8340 10.8988 10.8988 k = 0.4896 0.0180 0.6124 ( 8804 PWs) bands (ev): -21.8934 -21.8934 -21.8933 -21.8933 -13.3602 -13.3602 -11.1741 -11.1741 -11.1382 -11.1382 -11.1310 -11.1310 -10.7745 -10.7745 -10.7006 -10.7006 -8.5958 -8.5958 -6.5871 -6.5871 -6.5792 -6.5792 -5.7253 -5.7253 -5.7216 -5.7216 -5.7125 -5.7125 -5.7027 -5.7027 -2.3288 -2.3288 -2.1915 -2.1915 -2.1474 -2.1474 0.1296 0.1296 0.1760 0.1760 0.4470 0.4470 0.6875 0.6875 0.7121 0.7121 1.1121 1.1121 1.1440 1.1440 1.2529 1.2529 1.3069 1.3069 1.4167 1.4167 1.4525 1.4525 1.4804 1.4804 1.8925 1.8925 1.9412 1.9412 2.5565 2.5565 5.7023 5.7023 5.9714 5.9714 6.0477 6.0477 10.4528 10.4528 10.5138 10.5138 10.8296 10.8296 10.8891 10.8891 k = 0.4792 0.0361 0.6124 ( 8806 PWs) bands (ev): -21.8935 -21.8935 -21.8932 -21.8932 -13.3603 -13.3603 -11.1754 -11.1754 -11.1374 -11.1374 -11.1299 -11.1299 -10.7759 -10.7759 -10.6994 -10.6994 -8.5961 -8.5961 -6.5873 -6.5873 -6.5791 -6.5791 -5.7259 -5.7259 -5.7216 -5.7216 -5.7125 -5.7125 -5.7024 -5.7024 -2.3308 -2.3308 -2.1920 -2.1920 -2.1449 -2.1449 0.1115 0.1115 0.1968 0.1968 0.4423 0.4423 0.6828 0.6828 0.7200 0.7200 1.1117 1.1117 1.1452 1.1452 1.2455 1.2455 1.3089 1.3089 1.4156 1.4156 1.4592 1.4592 1.4841 1.4841 1.8723 1.8723 1.9602 1.9602 2.5552 2.5552 5.6974 5.6974 5.9700 5.9700 6.0528 6.0528 10.4183 10.4183 10.5316 10.5316 10.8211 10.8211 10.8687 10.8687 k = 0.4688 0.0541 0.6124 ( 8819 PWs) bands (ev): -21.8935 -21.8935 -21.8931 -21.8931 -13.3603 -13.3603 -11.1775 -11.1775 -11.1364 -11.1364 -11.1280 -11.1280 -10.7782 -10.7782 -10.6977 -10.6977 -8.5964 -8.5964 -6.5876 -6.5876 -6.5791 -6.5791 -5.7268 -5.7268 -5.7217 -5.7217 -5.7125 -5.7125 -5.7021 -5.7021 -2.3339 -2.3339 -2.1924 -2.1924 -2.1414 -2.1414 0.0942 0.0942 0.2187 0.2187 0.4354 0.4354 0.6758 0.6758 0.7313 0.7313 1.1116 1.1116 1.1466 1.1466 1.2369 1.2369 1.3097 1.3097 1.4131 1.4131 1.4691 1.4691 1.4907 1.4907 1.8510 1.8510 1.9793 1.9793 2.5533 2.5533 5.6895 5.6895 5.9690 5.9690 6.0598 6.0598 10.3836 10.3836 10.5395 10.5395 10.8098 10.8098 10.8424 10.8424 k = 0.4583 0.0722 0.6124 ( 8825 PWs) bands (ev): -21.8936 -21.8936 -21.8931 -21.8931 -13.3604 -13.3604 -11.1798 -11.1798 -11.1356 -11.1356 -11.1252 -11.1252 -10.7809 -10.7809 -10.6955 -10.6955 -8.5969 -8.5969 -6.5879 -6.5879 -6.5791 -6.5791 -5.7277 -5.7277 -5.7218 -5.7218 -5.7125 -5.7125 -5.7016 -5.7016 -2.3379 -2.3379 -2.1924 -2.1924 -2.1373 -2.1373 0.0781 0.0781 0.2409 0.2409 0.4272 0.4272 0.6668 0.6668 0.7448 0.7448 1.1120 1.1120 1.1477 1.1477 1.2280 1.2280 1.3091 1.3091 1.4097 1.4097 1.4803 1.4803 1.5005 1.5005 1.8293 1.8293 1.9975 1.9975 2.5509 2.5509 5.6794 5.6794 5.9687 5.9687 6.0678 6.0678 10.3497 10.3497 10.5384 10.5384 10.7894 10.7894 10.8274 10.8274 k = 0.4479 0.0902 0.6124 ( 8821 PWs) bands (ev): -21.8936 -21.8936 -21.8930 -21.8930 -13.3605 -13.3605 -11.1822 -11.1822 -11.1350 -11.1350 -11.1220 -11.1220 -10.7840 -10.7840 -10.6932 -10.6932 -8.5973 -8.5973 -6.5883 -6.5883 -6.5790 -6.5790 -5.7287 -5.7287 -5.7221 -5.7221 -5.7125 -5.7125 -5.7011 -5.7011 -2.3425 -2.3425 -2.1920 -2.1920 -2.1330 -2.1330 0.0637 0.0637 0.2629 0.2629 0.4187 0.4187 0.6560 0.6560 0.7595 0.7595 1.1128 1.1128 1.1482 1.1482 1.2196 1.2196 1.3079 1.3079 1.4061 1.4061 1.4914 1.4914 1.5130 1.5130 1.8077 1.8077 2.0145 2.0145 2.5482 2.5482 5.6679 5.6679 5.9692 5.9692 6.0762 6.0762 10.3178 10.3178 10.5303 10.5303 10.7612 10.7612 10.8241 10.8241 k = 0.4375 0.1083 0.6124 ( 8826 PWs) bands (ev): -21.8937 -21.8937 -21.8930 -21.8930 -13.3607 -13.3607 -11.1845 -11.1845 -11.1346 -11.1346 -11.1187 -11.1187 -10.7871 -10.7871 -10.6909 -10.6909 -8.5978 -8.5978 -6.5887 -6.5887 -6.5790 -6.5790 -5.7297 -5.7297 -5.7223 -5.7223 -5.7124 -5.7124 -5.7006 -5.7006 -2.3472 -2.3472 -2.1913 -2.1913 -2.1288 -2.1288 0.0509 0.0509 0.2843 0.2843 0.4106 0.4106 0.6437 0.6437 0.7744 0.7744 1.1142 1.1142 1.1479 1.1479 1.2119 1.2119 1.3064 1.3064 1.4024 1.4024 1.5027 1.5027 1.5266 1.5266 1.7863 1.7863 2.0298 2.0298 2.5455 2.5455 5.6559 5.6559 5.9703 5.9703 6.0845 6.0845 10.2886 10.2886 10.5178 10.5178 10.7328 10.7328 10.8256 10.8256 k = 0.4271 0.1263 0.6124 ( 8824 PWs) bands (ev): -21.8937 -21.8937 -21.8930 -21.8930 -13.3608 -13.3608 -11.1866 -11.1866 -11.1343 -11.1343 -11.1154 -11.1154 -10.7901 -10.7901 -10.6887 -10.6887 -8.5983 -8.5983 -6.5890 -6.5890 -6.5790 -6.5790 -5.7305 -5.7305 -5.7226 -5.7226 -5.7124 -5.7124 -5.7001 -5.7001 -2.3517 -2.3517 -2.1905 -2.1905 -2.1249 -2.1249 0.0399 0.0399 0.3041 0.3041 0.4038 0.4038 0.6304 0.6304 0.7886 0.7886 1.1158 1.1158 1.1468 1.1468 1.2052 1.2052 1.3049 1.3049 1.3989 1.3989 1.5142 1.5142 1.5400 1.5400 1.7656 1.7656 2.0434 2.0434 2.5428 2.5428 5.6442 5.6442 5.9717 5.9717 6.0921 6.0921 10.2627 10.2627 10.5035 10.5035 10.7068 10.7068 10.8288 10.8288 k = 0.4167 0.1443 0.6124 ( 8816 PWs) bands (ev): -21.8937 -21.8937 -21.8929 -21.8929 -13.3609 -13.3609 -11.1885 -11.1885 -11.1341 -11.1341 -11.1125 -11.1125 -10.7928 -10.7928 -10.6868 -10.6868 -8.5987 -8.5987 -6.5893 -6.5893 -6.5790 -6.5790 -5.7313 -5.7313 -5.7229 -5.7229 -5.7124 -5.7124 -5.6997 -5.6997 -2.3559 -2.3559 -2.1896 -2.1896 -2.1214 -2.1214 0.0308 0.0308 0.3215 0.3215 0.3991 0.3991 0.6169 0.6169 0.8015 0.8015 1.1178 1.1178 1.1451 1.1451 1.1994 1.1994 1.3037 1.3037 1.3958 1.3958 1.5256 1.5256 1.5523 1.5523 1.7460 1.7460 2.0548 2.0548 2.5403 2.5403 5.6337 5.6337 5.9731 5.9731 6.0989 6.0989 10.2409 10.2409 10.4894 10.4894 10.6846 10.6846 10.8325 10.8325 k = 0.4062 0.1624 0.6124 ( 8816 PWs) bands (ev): -21.8937 -21.8937 -21.8929 -21.8929 -13.3609 -13.3609 -11.1899 -11.1899 -11.1339 -11.1339 -11.1100 -11.1100 -10.7951 -10.7951 -10.6852 -10.6852 -8.5990 -8.5990 -6.5895 -6.5895 -6.5790 -6.5790 -5.7319 -5.7319 -5.7231 -5.7231 -5.7124 -5.7124 -5.6993 -5.6993 -2.3593 -2.3593 -2.1889 -2.1889 -2.1185 -2.1185 0.0237 0.0237 0.3350 0.3350 0.3975 0.3975 0.6041 0.6041 0.8123 0.8123 1.1199 1.1199 1.1428 1.1428 1.1948 1.1948 1.3029 1.3029 1.3932 1.3932 1.5362 1.5362 1.5633 1.5633 1.7282 1.7282 2.0639 2.0639 2.5382 2.5382 5.6249 5.6249 5.9744 5.9744 6.1044 6.1044 10.2235 10.2235 10.4771 10.4771 10.6667 10.6667 10.8348 10.8353 k = 0.3958 0.1804 0.6124 ( 8816 PWs) bands (ev): -21.8938 -21.8938 -21.8929 -21.8929 -13.3610 -13.3610 -11.1910 -11.1910 -11.1337 -11.1337 -11.1082 -11.1082 -10.7968 -10.7968 -10.6841 -10.6841 -8.5993 -8.5993 -6.5897 -6.5897 -6.5790 -6.5790 -5.7324 -5.7324 -5.7233 -5.7233 -5.7125 -5.7125 -5.6991 -5.6991 -2.3618 -2.3618 -2.1883 -2.1883 -2.1164 -2.1164 0.0185 0.0185 0.3436 0.3436 0.3989 0.3989 0.5932 0.5932 0.8204 0.8204 1.1220 1.1220 1.1405 1.1405 1.1915 1.1915 1.3023 1.3023 1.3913 1.3913 1.5449 1.5449 1.5724 1.5724 1.7132 1.7132 2.0706 2.0706 2.5366 2.5366 5.6183 5.6183 5.9754 5.9754 6.1086 6.1086 10.2108 10.2108 10.4676 10.4676 10.6537 10.6537 10.8327 10.8327 k = 0.3854 0.1985 0.6124 ( 8815 PWs) bands (ev): -21.8938 -21.8938 -21.8929 -21.8929 -13.3610 -13.3610 -11.1917 -11.1917 -11.1337 -11.1337 -11.1070 -11.1070 -10.7978 -10.7978 -10.6834 -10.6834 -8.5994 -8.5994 -6.5898 -6.5898 -6.5790 -6.5790 -5.7327 -5.7327 -5.7234 -5.7234 -5.7125 -5.7125 -5.6989 -5.6989 -2.3634 -2.3634 -2.1879 -2.1879 -2.1150 -2.1150 0.0154 0.0154 0.3477 0.3477 0.4016 0.4016 0.5857 0.5857 0.8255 0.8255 1.1236 1.1236 1.1386 1.1386 1.1894 1.1894 1.3020 1.3020 1.3901 1.3901 1.5507 1.5507 1.5789 1.5789 1.7029 1.7029 2.0746 2.0746 2.5356 2.5356 5.6142 5.6142 5.9760 5.9760 6.1111 6.1111 10.2031 10.2031 10.4617 10.4617 10.6457 10.6457 10.8314 10.8314 k = 0.3750 0.2165 0.6124 ( 8834 PWs) bands (ev): -21.8938 -21.8938 -21.8929 -21.8929 -13.3611 -13.3611 -11.1919 -11.1919 -11.1336 -11.1336 -11.1066 -11.1066 -10.7982 -10.7982 -10.6831 -10.6831 -8.5995 -8.5995 -6.5899 -6.5899 -6.5790 -6.5790 -5.7327 -5.7327 -5.7235 -5.7235 -5.7125 -5.7125 -5.6989 -5.6989 -2.3640 -2.3640 -2.1878 -2.1878 -2.1146 -2.1146 0.0144 0.0144 0.3488 0.3488 0.4029 0.4029 0.5830 0.5830 0.8273 0.8273 1.1243 1.1243 1.1378 1.1378 1.1887 1.1887 1.3019 1.3019 1.3897 1.3897 1.5527 1.5527 1.5813 1.5813 1.6991 1.6991 2.0760 2.0760 2.5352 2.5352 5.6128 5.6128 5.9762 5.9762 6.1120 6.1120 10.2005 10.2005 10.4596 10.4596 10.6430 10.6430 10.8309 10.8309 k = 0.3750 0.2165 0.6124 ( 8834 PWs) bands (ev): -21.8938 -21.8938 -21.8929 -21.8929 -13.3611 -13.3611 -11.1919 -11.1919 -11.1336 -11.1336 -11.1066 -11.1066 -10.7982 -10.7982 -10.6831 -10.6831 -8.5995 -8.5995 -6.5899 -6.5899 -6.5790 -6.5790 -5.7327 -5.7327 -5.7235 -5.7235 -5.7125 -5.7125 -5.6989 -5.6989 -2.3640 -2.3640 -2.1878 -2.1878 -2.1146 -2.1146 0.0144 0.0144 0.3488 0.3488 0.4029 0.4029 0.5830 0.5830 0.8273 0.8273 1.1243 1.1243 1.1378 1.1378 1.1887 1.1887 1.3019 1.3019 1.3897 1.3897 1.5527 1.5527 1.5813 1.5813 1.6991 1.6991 2.0760 2.0760 2.5352 2.5352 5.6128 5.6128 5.9762 5.9762 6.1120 6.1120 10.2005 10.2005 10.4596 10.4596 10.6430 10.6430 10.8309 10.8309 k = 0.3640 0.2101 0.5944 ( 8816 PWs) bands (ev): -21.8937 -21.8937 -21.8930 -21.8930 -13.3613 -13.3613 -11.1974 -11.1974 -11.1337 -11.1337 -11.1018 -11.1018 -10.7897 -10.7897 -10.6886 -10.6886 -8.6014 -8.6014 -6.5896 -6.5896 -6.5801 -6.5801 -5.7319 -5.7319 -5.7250 -5.7250 -5.7124 -5.7124 -5.7004 -5.7004 -2.3727 -2.3727 -2.1890 -2.1890 -2.1076 -2.1076 0.0370 0.0370 0.3389 0.3389 0.4162 0.4162 0.5677 0.5677 0.7989 0.7989 1.1321 1.1321 1.1509 1.1509 1.1908 1.1908 1.2766 1.2766 1.4014 1.4014 1.5661 1.5661 1.5967 1.5967 1.7253 1.7253 2.0582 2.0582 2.5292 2.5292 5.5916 5.5916 5.9726 5.9726 6.1261 6.1261 10.2143 10.2143 10.4041 10.4041 10.5873 10.5873 10.8503 10.8504 k = 0.3529 0.2038 0.5764 ( 8814 PWs) bands (ev): -21.8936 -21.8936 -21.8931 -21.8931 -13.3617 -13.3617 -11.2025 -11.2025 -11.1337 -11.1337 -11.0969 -11.0969 -10.7813 -10.7813 -10.6941 -10.6941 -8.6037 -8.6037 -6.5895 -6.5895 -6.5813 -6.5813 -5.7314 -5.7314 -5.7268 -5.7268 -5.7124 -5.7124 -5.7018 -5.7018 -2.3816 -2.3816 -2.1915 -2.1915 -2.0995 -2.0995 0.0608 0.0608 0.3181 0.3181 0.4422 0.4422 0.5527 0.5527 0.7722 0.7722 1.1273 1.1273 1.1731 1.1731 1.1943 1.1943 1.2535 1.2535 1.4122 1.4122 1.5800 1.5800 1.6134 1.6134 1.7515 1.7515 2.0405 2.0405 2.5216 2.5216 5.5697 5.5697 5.9668 5.9668 6.1416 6.1416 10.2252 10.2252 10.3335 10.3335 10.5390 10.5390 10.8564 10.8564 k = 0.3419 0.1974 0.5583 ( 8818 PWs) bands (ev): -21.8934 -21.8934 -21.8932 -21.8932 -13.3621 -13.3621 -11.2070 -11.2070 -11.1337 -11.1337 -11.0920 -11.0920 -10.7730 -10.7730 -10.6996 -10.6996 -8.6064 -8.6064 -6.5897 -6.5897 -6.5824 -6.5824 -5.7315 -5.7315 -5.7284 -5.7284 -5.7125 -5.7125 -5.7032 -5.7032 -2.3904 -2.3904 -2.1949 -2.1949 -2.0908 -2.0908 0.0855 0.0855 0.2958 0.2958 0.4698 0.4698 0.5398 0.5398 0.7475 0.7475 1.1216 1.1216 1.1861 1.1861 1.1997 1.1997 1.2399 1.2399 1.4223 1.4223 1.5944 1.5944 1.6314 1.6314 1.7777 1.7777 2.0231 2.0231 2.5120 2.5120 5.5478 5.5478 5.9592 5.9592 6.1572 6.1572 10.2325 10.2325 10.2531 10.2531 10.4941 10.4941 10.8584 10.8584 k = 0.3309 0.1910 0.5403 ( 8810 PWs) bands (ev): -21.8934 -21.8934 -21.8933 -21.8933 -13.3626 -13.3626 -11.2109 -11.2109 -11.1336 -11.1336 -11.0872 -11.0872 -10.7649 -10.7649 -10.7049 -10.7049 -8.6095 -8.6095 -6.5903 -6.5903 -6.5833 -6.5833 -5.7331 -5.7331 -5.7290 -5.7290 -5.7130 -5.7130 -5.7044 -5.7044 -2.3989 -2.3989 -2.1989 -2.1989 -2.0821 -2.0821 0.1108 0.1108 0.2740 0.2740 0.4884 0.4884 0.5375 0.5375 0.7253 0.7253 1.1140 1.1140 1.1818 1.1818 1.2049 1.2049 1.2469 1.2469 1.4317 1.4317 1.6089 1.6089 1.6504 1.6504 1.8036 1.8036 2.0063 2.0063 2.5005 2.5005 5.5264 5.5264 5.9502 5.9502 6.1721 6.1721 10.1664 10.1664 10.2366 10.2366 10.4492 10.4492 10.8564 10.8564 k = 0.3199 0.1847 0.5223 ( 8836 PWs) bands (ev): -21.8935 -21.8935 -21.8932 -21.8932 -13.3633 -13.3633 -11.2141 -11.2141 -11.1335 -11.1335 -11.0825 -11.0825 -10.7571 -10.7571 -10.7100 -10.7100 -8.6130 -8.6130 -6.5915 -6.5915 -6.5840 -6.5840 -5.7358 -5.7358 -5.7291 -5.7291 -5.7138 -5.7138 -5.7053 -5.7053 -2.4070 -2.4070 -2.2034 -2.2034 -2.0739 -2.0739 0.1364 0.1364 0.2536 0.2536 0.4853 0.4853 0.5581 0.5581 0.7059 0.7059 1.1028 1.1028 1.1698 1.1698 1.2113 1.2113 1.2657 1.2657 1.4404 1.4404 1.6236 1.6236 1.6705 1.6705 1.8292 1.8292 1.9903 1.9903 2.4869 2.4869 5.5058 5.5058 5.9399 5.9399 6.1855 6.1855 10.0765 10.0765 10.2367 10.2367 10.4030 10.4030 10.8509 10.8509 k = 0.3088 0.1783 0.5043 ( 8834 PWs) bands (ev): -21.8937 -21.8937 -21.8931 -21.8931 -13.3640 -13.3640 -11.2166 -11.2166 -11.1333 -11.1333 -11.0781 -11.0781 -10.7495 -10.7495 -10.7147 -10.7147 -8.6171 -8.6171 -6.5931 -6.5931 -6.5845 -6.5845 -5.7388 -5.7388 -5.7292 -5.7292 -5.7152 -5.7152 -5.7059 -5.7059 -2.4145 -2.4145 -2.2082 -2.2082 -2.0665 -2.0665 0.1621 0.1621 0.2347 0.2347 0.4719 0.4719 0.5898 0.5898 0.6897 0.6897 1.0871 1.0871 1.1609 1.1609 1.2190 1.2190 1.2871 1.2871 1.4484 1.4484 1.6381 1.6381 1.6915 1.6915 1.8542 1.8542 1.9754 1.9754 2.4711 2.4711 5.4864 5.4864 5.9287 5.9287 6.1968 6.1968 9.9845 9.9845 10.2330 10.2330 10.3549 10.3549 10.8414 10.8414 k = 0.2978 0.1719 0.4863 ( 8822 PWs) bands (ev): -21.8938 -21.8938 -21.8929 -21.8929 -13.3649 -13.3649 -11.2184 -11.2184 -11.1330 -11.1330 -11.0740 -11.0740 -10.7422 -10.7422 -10.7189 -10.7189 -8.6216 -8.6216 -6.5952 -6.5952 -6.5849 -6.5849 -5.7422 -5.7422 -5.7294 -5.7294 -5.7172 -5.7172 -5.7062 -5.7062 -2.4212 -2.4212 -2.2132 -2.2132 -2.0604 -2.0604 0.1869 0.1869 0.2178 0.2178 0.4563 0.4563 0.6244 0.6244 0.6770 0.6770 1.0681 1.0681 1.1568 1.1568 1.2276 1.2276 1.3087 1.3087 1.4559 1.4559 1.6523 1.6523 1.7134 1.7134 1.8786 1.8786 1.9621 1.9621 2.4531 2.4531 5.4687 5.4687 5.9167 5.9167 6.2055 6.2055 9.8911 9.8911 10.2254 10.2254 10.3051 10.3051 10.7453 10.7453 k = 0.2868 0.1656 0.4683 ( 8830 PWs) bands (ev): -21.8940 -21.8940 -21.8928 -21.8928 -13.3658 -13.3658 -11.2194 -11.2194 -11.1327 -11.1327 -11.0704 -11.0704 -10.7352 -10.7352 -10.7225 -10.7225 -8.6266 -8.6266 -6.5976 -6.5976 -6.5853 -6.5853 -5.7457 -5.7457 -5.7298 -5.7298 -5.7196 -5.7196 -5.7065 -5.7065 -2.4269 -2.4269 -2.2183 -2.2183 -2.0559 -2.0559 0.1990 0.1990 0.2146 0.2146 0.4401 0.4401 0.6602 0.6602 0.6681 0.6681 1.0480 1.0480 1.1565 1.1565 1.2370 1.2370 1.3300 1.3300 1.4627 1.4627 1.6659 1.6659 1.7358 1.7358 1.9019 1.9019 1.9512 1.9512 2.4329 2.4329 5.4528 5.4528 5.9040 5.9040 6.2111 6.2111 9.7970 9.7970 10.2142 10.2142 10.2539 10.2539 10.6483 10.6483 k = 0.2757 0.1592 0.4503 ( 8846 PWs) bands (ev): -21.8941 -21.8941 -21.8926 -21.8926 -13.3669 -13.3669 -11.2195 -11.2195 -11.1324 -11.1324 -11.0674 -11.0674 -10.7286 -10.7286 -10.7254 -10.7254 -8.6321 -8.6321 -6.6002 -6.6002 -6.5857 -6.5857 -5.7494 -5.7494 -5.7303 -5.7303 -5.7224 -5.7224 -5.7069 -5.7069 -2.4318 -2.4318 -2.2234 -2.2234 -2.0530 -2.0530 0.1867 0.1867 0.2363 0.2363 0.4239 0.4239 0.6629 0.6629 0.6968 0.6968 1.0286 1.0286 1.1589 1.1589 1.2470 1.2470 1.3507 1.3507 1.4690 1.4690 1.6786 1.6786 1.7587 1.7587 1.9218 1.9218 1.9452 1.9452 2.4105 2.4105 5.4390 5.4390 5.8907 5.8907 6.2133 6.2133 9.7025 9.7025 10.1985 10.1985 10.2026 10.2026 10.5528 10.5528 k = 0.2647 0.1528 0.4323 ( 8852 PWs) bands (ev): -21.8943 -21.8943 -21.8925 -21.8925 -13.3681 -13.3681 -11.2189 -11.2189 -11.1319 -11.1319 -11.0651 -11.0651 -10.7275 -10.7275 -10.7222 -10.7222 -8.6382 -8.6382 -6.6030 -6.6030 -6.5861 -6.5861 -5.7533 -5.7533 -5.7312 -5.7312 -5.7254 -5.7254 -5.7073 -5.7073 -2.4355 -2.4355 -2.2284 -2.2284 -2.0521 -2.0521 0.1749 0.1749 0.2574 0.2574 0.4079 0.4079 0.6619 0.6619 0.7335 0.7335 1.0114 1.0114 1.1635 1.1635 1.2577 1.2577 1.3707 1.3707 1.4746 1.4746 1.6900 1.6900 1.7819 1.7819 1.9279 1.9279 1.9550 1.9550 2.3859 2.3859 5.4273 5.4273 5.8769 5.8769 6.2119 6.2119 9.6080 9.6080 10.1484 10.1484 10.1814 10.1814 10.4592 10.4592 k = 0.2537 0.1465 0.4143 ( 8834 PWs) bands (ev): -21.8944 -21.8944 -21.8924 -21.8924 -13.3694 -13.3694 -11.2176 -11.2176 -11.1314 -11.1314 -11.0634 -11.0634 -10.7288 -10.7288 -10.7162 -10.7162 -8.6447 -8.6447 -6.6061 -6.6061 -6.5867 -6.5867 -5.7572 -5.7572 -5.7325 -5.7325 -5.7282 -5.7282 -5.7080 -5.7080 -2.4382 -2.4382 -2.2334 -2.2334 -2.0532 -2.0532 0.1648 0.1648 0.2761 0.2761 0.3925 0.3925 0.6651 0.6651 0.7704 0.7704 0.9970 0.9970 1.1698 1.1698 1.2688 1.2688 1.3900 1.3900 1.4796 1.4796 1.6997 1.6997 1.8049 1.8049 1.9267 1.9267 1.9748 1.9748 2.3592 2.3592 5.4180 5.4180 5.8627 5.8627 6.2068 6.2068 9.5138 9.5138 10.0951 10.0951 10.1601 10.1601 10.3676 10.3676 k = 0.2426 0.1401 0.3962 ( 8836 PWs) bands (ev): -21.8946 -21.8946 -21.8922 -21.8922 -13.3708 -13.3708 -11.2154 -11.2154 -11.1308 -11.1308 -11.0624 -11.0624 -10.7292 -10.7292 -10.7105 -10.7105 -8.6518 -8.6518 -6.6093 -6.6093 -6.5874 -6.5874 -5.7612 -5.7612 -5.7351 -5.7351 -5.7303 -5.7303 -5.7088 -5.7088 -2.4398 -2.4398 -2.2382 -2.2382 -2.0563 -2.0563 0.1564 0.1564 0.2917 0.2917 0.3776 0.3776 0.6724 0.6724 0.8073 0.8073 0.9862 0.9862 1.1778 1.1778 1.2803 1.2803 1.4085 1.4085 1.4841 1.4841 1.7073 1.7073 1.8277 1.8277 1.9279 1.9279 1.9954 1.9954 2.3307 2.3307 5.4110 5.4110 5.8482 5.8482 6.1978 6.1978 9.4202 9.4202 10.0417 10.0417 10.1359 10.1359 10.2785 10.2785 k = 0.2316 0.1337 0.3782 ( 8828 PWs) bands (ev): -21.8948 -21.8948 -21.8921 -21.8921 -13.3723 -13.3723 -11.2126 -11.2126 -11.1301 -11.1301 -11.0622 -11.0622 -10.7287 -10.7287 -10.7051 -10.7051 -8.6593 -8.6593 -6.6126 -6.6126 -6.5882 -6.5882 -5.7653 -5.7653 -5.7388 -5.7388 -5.7316 -5.7316 -5.7098 -5.7098 -2.4403 -2.4403 -2.2428 -2.2428 -2.0613 -2.0613 0.1498 0.1498 0.3036 0.3036 0.3637 0.3637 0.6837 0.6837 0.8442 0.8442 0.9795 0.9795 1.1872 1.1872 1.2921 1.2921 1.4262 1.4262 1.4880 1.4880 1.7125 1.7125 1.8497 1.8497 1.9331 1.9331 2.0155 2.0155 2.3005 2.3005 5.4063 5.4063 5.8336 5.8336 6.1851 6.1851 9.3275 9.3275 9.9884 9.9884 10.1091 10.1091 10.1919 10.1919 k = 0.2206 0.1274 0.3602 ( 8830 PWs) bands (ev): -21.8949 -21.8949 -21.8920 -21.8920 -13.3738 -13.3738 -11.2091 -11.2091 -11.1294 -11.1294 -11.0627 -11.0627 -10.7274 -10.7274 -10.7000 -10.7000 -8.6673 -8.6673 -6.6160 -6.6160 -6.5890 -6.5890 -5.7693 -5.7693 -5.7431 -5.7431 -5.7326 -5.7326 -5.7111 -5.7111 -2.4398 -2.4398 -2.2472 -2.2472 -2.0683 -2.0683 0.1449 0.1449 0.3109 0.3109 0.3511 0.3511 0.6989 0.6989 0.8810 0.8810 0.9771 0.9771 1.1980 1.1980 1.3041 1.3041 1.4429 1.4429 1.4915 1.4915 1.7154 1.7154 1.8707 1.8707 1.9428 1.9428 2.0348 2.0348 2.2688 2.2688 5.4038 5.4038 5.8189 5.8189 6.1686 6.1686 9.2359 9.2359 9.9355 9.9355 10.0797 10.0797 10.1083 10.1083 k = 0.2096 0.1210 0.3422 ( 8840 PWs) bands (ev): -21.8951 -21.8951 -21.8918 -21.8918 -13.3755 -13.3755 -11.2050 -11.2050 -11.1286 -11.1286 -11.0640 -11.0640 -10.7252 -10.7252 -10.6952 -10.6952 -8.6756 -8.6756 -6.6195 -6.6195 -6.5900 -6.5900 -5.7733 -5.7733 -5.7478 -5.7478 -5.7336 -5.7336 -5.7126 -5.7126 -2.4383 -2.4383 -2.2514 -2.2514 -2.0769 -2.0769 0.1415 0.1415 0.3125 0.3125 0.3411 0.3411 0.7177 0.7177 0.9176 0.9176 0.9790 0.9790 1.2100 1.2100 1.3162 1.3162 1.4584 1.4584 1.4947 1.4947 1.7161 1.7161 1.8907 1.8907 1.9565 1.9565 2.0532 2.0532 2.2360 2.2360 5.4033 5.4033 5.8042 5.8042 6.1486 6.1486 9.1458 9.1458 9.8832 9.8832 10.0263 10.0263 10.0497 10.0497 k = 0.1985 0.1146 0.3242 ( 8840 PWs) bands (ev): -21.8952 -21.8952 -21.8917 -21.8917 -13.3772 -13.3772 -11.2003 -11.2003 -11.1277 -11.1277 -11.0659 -11.0659 -10.7223 -10.7223 -10.6908 -10.6908 -8.6843 -8.6843 -6.6230 -6.6230 -6.5911 -6.5911 -5.7773 -5.7773 -5.7527 -5.7527 -5.7345 -5.7345 -5.7144 -5.7144 -2.4359 -2.4359 -2.2552 -2.2552 -2.0871 -2.0871 0.1397 0.1397 0.3078 0.3078 0.3341 0.3341 0.7397 0.7397 0.9537 0.9537 0.9853 0.9853 1.2232 1.2232 1.3282 1.3282 1.4722 1.4722 1.4982 1.4982 1.7152 1.7152 1.9098 1.9098 1.9737 1.9737 2.0705 2.0705 2.2026 2.2026 5.4046 5.4046 5.7897 5.7897 6.1252 6.1252 9.0574 9.0574 9.8315 9.8315 9.9489 9.9489 10.0165 10.0165 k = 0.1875 0.1083 0.3062 ( 8827 PWs) bands (ev): -21.8954 -21.8954 -21.8916 -21.8916 -13.3789 -13.3789 -11.1951 -11.1951 -11.1268 -11.1268 -11.0683 -11.0683 -10.7187 -10.7187 -10.6866 -10.6866 -8.6933 -8.6933 -6.6266 -6.6266 -6.5923 -6.5923 -5.7812 -5.7812 -5.7578 -5.7578 -5.7355 -5.7355 -5.7163 -5.7163 -2.4329 -2.4329 -2.2587 -2.2587 -2.0986 -2.0986 0.1393 0.1393 0.2991 0.2991 0.3286 0.3286 0.7646 0.7646 0.9859 0.9859 0.9988 0.9988 1.2374 1.2374 1.3402 1.3402 1.4828 1.4828 1.5034 1.5034 1.7130 1.7130 1.9281 1.9281 1.9931 1.9931 2.0861 2.0861 2.1697 2.1697 5.4075 5.4075 5.7755 5.7755 6.0989 6.0989 8.9709 8.9709 9.7807 9.7807 9.8744 9.8744 9.9823 9.9823 k = 0.1765 0.1019 0.2882 ( 8851 PWs) bands (ev): -21.8955 -21.8955 -21.8914 -21.8914 -13.3807 -13.3807 -11.1895 -11.1895 -11.1259 -11.1259 -11.0712 -11.0712 -10.7145 -10.7145 -10.6828 -10.6828 -8.7025 -8.7025 -6.6302 -6.6302 -6.5936 -6.5936 -5.7850 -5.7850 -5.7630 -5.7630 -5.7365 -5.7365 -5.7184 -5.7184 -2.4292 -2.4292 -2.2617 -2.2617 -2.1112 -2.1112 0.1401 0.1401 0.2889 0.2889 0.3223 0.3223 0.7920 0.7920 1.0032 1.0032 1.0299 1.0299 1.2525 1.2525 1.3520 1.3520 1.4888 1.4888 1.5118 1.5118 1.7100 1.7100 1.9455 1.9455 2.0138 2.0138 2.0972 2.0972 2.1406 2.1406 5.4116 5.4116 5.7618 5.7618 6.0700 6.0700 8.8868 8.8868 9.7308 9.7308 9.8034 9.8034 9.9470 9.9470 k = 0.1654 0.0955 0.2702 ( 8853 PWs) bands (ev): -21.8957 -21.8957 -21.8913 -21.8913 -13.3825 -13.3825 -11.1835 -11.1835 -11.1250 -11.1250 -11.0745 -11.0745 -10.7099 -10.7099 -10.6792 -10.6792 -8.7119 -8.7119 -6.6337 -6.6337 -6.5949 -6.5949 -5.7887 -5.7887 -5.7682 -5.7682 -5.7374 -5.7374 -5.7206 -5.7206 -2.4251 -2.4251 -2.2644 -2.2644 -2.1244 -2.1244 0.1420 0.1420 0.2785 0.2785 0.3144 0.3144 0.8215 0.8215 1.0179 1.0179 1.0656 1.0656 1.2684 1.2684 1.3636 1.3636 1.4912 1.4912 1.5222 1.5222 1.7066 1.7066 1.9610 1.9610 2.0352 2.0352 2.0898 2.0898 2.1310 2.1310 5.4166 5.4166 5.7487 5.7487 6.0389 6.0389 8.8053 8.8053 9.6818 9.6818 9.7359 9.7359 9.9111 9.9111 k = 0.1544 0.0891 0.2522 ( 8851 PWs) bands (ev): -21.8958 -21.8958 -21.8912 -21.8912 -13.3842 -13.3842 -11.1773 -11.1773 -11.1240 -11.1240 -11.0780 -11.0780 -10.7050 -10.7050 -10.6759 -10.6759 -8.7212 -8.7212 -6.6372 -6.6372 -6.5962 -6.5962 -5.7923 -5.7923 -5.7735 -5.7735 -5.7384 -5.7384 -5.7230 -5.7230 -2.4207 -2.4207 -2.2665 -2.2665 -2.1381 -2.1381 0.1450 0.1450 0.2685 0.2685 0.3051 0.3051 0.8525 0.8525 1.0333 1.0333 1.1015 1.1015 1.2849 1.2849 1.3747 1.3747 1.4920 1.4920 1.5329 1.5329 1.7030 1.7030 1.9714 1.9714 2.0556 2.0556 2.0689 2.0689 2.1401 2.1401 5.4221 5.4221 5.7364 5.7364 6.0062 6.0062 8.7268 8.7268 9.6340 9.6340 9.6722 9.6722 9.8746 9.8746 k = 0.1434 0.0828 0.2341 ( 8847 PWs) bands (ev): -21.8960 -21.8960 -21.8911 -21.8911 -13.3860 -13.3860 -11.1710 -11.1710 -11.1230 -11.1230 -11.0817 -11.0817 -10.6999 -10.6999 -10.6729 -10.6729 -8.7306 -8.7306 -6.6407 -6.6407 -6.5976 -6.5976 -5.7957 -5.7957 -5.7787 -5.7787 -5.7393 -5.7393 -5.7254 -5.7254 -2.4163 -2.4163 -2.2680 -2.2680 -2.1520 -2.1520 0.1487 0.1487 0.2590 0.2590 0.2948 0.2948 0.8846 0.8846 1.0493 1.0493 1.1371 1.1371 1.3017 1.3017 1.3854 1.3854 1.4921 1.4921 1.5430 1.5430 1.6994 1.6994 1.9691 1.9691 2.0539 2.0539 2.0791 2.0791 2.1522 2.1522 5.4277 5.4277 5.7251 5.7251 5.9723 5.9723 8.6517 8.6517 9.5874 9.5874 9.6122 9.6122 9.8381 9.8381 k = 0.1324 0.0764 0.2161 ( 8845 PWs) bands (ev): -21.8961 -21.8961 -21.8910 -21.8910 -13.3877 -13.3877 -11.1646 -11.1646 -11.1220 -11.1220 -11.0855 -11.0855 -10.6946 -10.6946 -10.6702 -10.6702 -8.7397 -8.7397 -6.6440 -6.6440 -6.5990 -6.5990 -5.7990 -5.7990 -5.7839 -5.7839 -5.7402 -5.7402 -5.7279 -5.7279 -2.4122 -2.4122 -2.2690 -2.2690 -2.1657 -2.1657 0.1530 0.1530 0.2500 0.2500 0.2838 0.2838 0.9172 0.9172 1.0653 1.0653 1.1724 1.1724 1.3188 1.3188 1.3956 1.3956 1.4917 1.4917 1.5521 1.5521 1.6961 1.6961 1.9500 1.9500 2.0576 2.0576 2.0996 2.0996 2.1642 2.1642 5.4330 5.4330 5.7150 5.7150 5.9380 5.9380 8.5801 8.5801 9.5422 9.5422 9.5563 9.5563 9.8018 9.8018 k = 0.1213 0.0700 0.1981 ( 8853 PWs) bands (ev): -21.8962 -21.8962 -21.8909 -21.8909 -13.3893 -13.3893 -11.1583 -11.1583 -11.1211 -11.1211 -11.0893 -11.0893 -10.6894 -10.6894 -10.6677 -10.6677 -8.7487 -8.7487 -6.6472 -6.6472 -6.6003 -6.6003 -5.8020 -5.8020 -5.7888 -5.7888 -5.7411 -5.7411 -5.7303 -5.7303 -2.4084 -2.4084 -2.2693 -2.2693 -2.1790 -2.1790 0.1579 0.1579 0.2417 0.2417 0.2725 0.2725 0.9498 0.9498 1.0809 1.0809 1.2069 1.2069 1.3358 1.3358 1.4051 1.4051 1.4912 1.4912 1.5601 1.5601 1.6930 1.6930 1.9217 1.9217 2.0702 2.0702 2.1196 2.1196 2.1758 2.1758 5.4375 5.4375 5.7063 5.7063 5.9038 5.9038 8.5126 8.5126 9.4986 9.4986 9.5044 9.5044 9.7660 9.7660 k = 0.1103 0.0637 0.1801 ( 8843 PWs) bands (ev): -21.8963 -21.8963 -21.8908 -21.8908 -13.3909 -13.3909 -11.1521 -11.1521 -11.1201 -11.1201 -11.0930 -11.0930 -10.6843 -10.6843 -10.6654 -10.6654 -8.7573 -8.7573 -6.6502 -6.6502 -6.6017 -6.6017 -5.8048 -5.8048 -5.7936 -5.7936 -5.7420 -5.7420 -5.7327 -5.7327 -2.4052 -2.4052 -2.2690 -2.2690 -2.1916 -2.1916 0.1630 0.1630 0.2341 0.2341 0.2614 0.2614 0.9819 0.9819 1.0958 1.0958 1.2407 1.2407 1.3525 1.3525 1.4137 1.4137 1.4908 1.4908 1.5668 1.5668 1.6903 1.6903 1.8906 1.8906 2.0859 2.0859 2.1388 2.1388 2.1866 2.1866 5.4408 5.4408 5.6992 5.6992 5.8703 5.8703 8.4495 8.4495 9.4563 9.4563 9.4574 9.4574 9.7312 9.7312 k = 0.0993 0.0573 0.1621 ( 8843 PWs) bands (ev): -21.8964 -21.8964 -21.8907 -21.8907 -13.3923 -13.3923 -11.1462 -11.1462 -11.1192 -11.1192 -11.0965 -11.0965 -10.6794 -10.6794 -10.6634 -10.6634 -8.7654 -8.7654 -6.6530 -6.6530 -6.6030 -6.6030 -5.8075 -5.8075 -5.7980 -5.7980 -5.7428 -5.7428 -5.7350 -5.7350 -2.4027 -2.4027 -2.2681 -2.2681 -2.2033 -2.2033 0.1682 0.1682 0.2272 0.2272 0.2505 0.2505 1.0130 1.0130 1.1096 1.1096 1.2736 1.2736 1.3687 1.3687 1.4215 1.4215 1.4906 1.4906 1.5720 1.5720 1.6880 1.6880 1.8591 1.8591 2.1021 2.1021 2.1570 2.1570 2.1968 2.1968 5.4426 5.4426 5.6937 5.6937 5.8384 5.8384 8.3911 8.3911 9.4132 9.4132 9.4176 9.4176 9.6978 9.6978 k = 0.0882 0.0509 0.1441 ( 8847 PWs) bands (ev): -21.8965 -21.8965 -21.8907 -21.8907 -13.3937 -13.3937 -11.1408 -11.1408 -11.1184 -11.1184 -11.0997 -11.0997 -10.6747 -10.6747 -10.6617 -10.6617 -8.7730 -8.7730 -6.6556 -6.6556 -6.6042 -6.6042 -5.8098 -5.8098 -5.8022 -5.8022 -5.7435 -5.7435 -5.7372 -5.7372 -2.4009 -2.4009 -2.2666 -2.2666 -2.2140 -2.2140 0.1734 0.1734 0.2210 0.2210 0.2403 0.2403 1.0425 1.0425 1.1223 1.1223 1.3053 1.3053 1.3838 1.3838 1.4282 1.4282 1.4910 1.4910 1.5757 1.5757 1.6862 1.6862 1.8283 1.8283 2.1177 2.1177 2.1740 2.1740 2.2062 2.2062 5.4427 5.4427 5.6899 5.6899 5.8085 5.8085 8.3377 8.3377 9.3741 9.3741 9.3806 9.3806 9.6663 9.6663 k = 0.0772 0.0446 0.1261 ( 8843 PWs) bands (ev): -21.8966 -21.8966 -21.8906 -21.8906 -13.3950 -13.3950 -11.1358 -11.1358 -11.1175 -11.1175 -11.1026 -11.1026 -10.6705 -10.6705 -10.6602 -10.6602 -8.7800 -8.7800 -6.6579 -6.6579 -6.6053 -6.6053 -5.8120 -5.8120 -5.8060 -5.8060 -5.7442 -5.7442 -5.7393 -5.7393 -2.3999 -2.3999 -2.2647 -2.2647 -2.2235 -2.2235 0.1784 0.1784 0.2155 0.2155 0.2309 0.2309 1.0701 1.0701 1.1337 1.1337 1.3357 1.3357 1.3978 1.3978 1.4337 1.4337 1.4920 1.4920 1.5775 1.5775 1.6848 1.6848 1.7989 1.7989 2.1323 2.1323 2.1896 2.1896 2.2148 2.2148 5.4412 5.4412 5.6876 5.6876 5.7812 5.7812 8.2897 8.2897 9.3394 9.3394 9.3466 9.3466 9.6371 9.6371 k = 0.0662 0.0382 0.1081 ( 8843 PWs) bands (ev): -21.8967 -21.8967 -21.8905 -21.8905 -13.3961 -13.3961 -11.1315 -11.1315 -11.1166 -11.1166 -11.1052 -11.1052 -10.6666 -10.6666 -10.6589 -10.6589 -8.7862 -8.7862 -6.6600 -6.6600 -6.6063 -6.6063 -5.8138 -5.8138 -5.8093 -5.8093 -5.7448 -5.7448 -5.7411 -5.7411 -2.3996 -2.3996 -2.2625 -2.2625 -2.2316 -2.2316 0.1830 0.1830 0.2107 0.2107 0.2224 0.2224 1.0952 1.0952 1.1437 1.1437 1.3648 1.3648 1.4103 1.4103 1.4380 1.4380 1.4937 1.4937 1.5774 1.5774 1.6840 1.6840 1.7715 1.7715 2.1452 2.1452 2.2038 2.2038 2.2227 2.2227 5.4383 5.4383 5.6865 5.6865 5.7571 5.7571 8.2475 8.2475 9.3092 9.3092 9.3160 9.3160 9.6106 9.6106 k = 0.0551 0.0318 0.0901 ( 8825 PWs) bands (ev): -21.8968 -21.8968 -21.8905 -21.8905 -13.3970 -13.3970 -11.1281 -11.1281 -11.1156 -11.1156 -11.1072 -11.1072 -10.6633 -10.6633 -10.6578 -10.6578 -8.7917 -8.7917 -6.6618 -6.6618 -6.6072 -6.6072 -5.8154 -5.8154 -5.8122 -5.8122 -5.7453 -5.7453 -5.7427 -5.7427 -2.3998 -2.3998 -2.2603 -2.2603 -2.2385 -2.2385 0.1872 0.1872 0.2067 0.2067 0.2150 0.2150 1.1174 1.1174 1.1521 1.1521 1.3922 1.3922 1.4211 1.4211 1.4413 1.4413 1.4960 1.4960 1.5752 1.5752 1.6835 1.6835 1.7466 1.7466 2.1563 2.1563 2.2163 2.2163 2.2296 2.2296 5.4344 5.4344 5.6865 5.6865 5.7365 5.7365 8.2112 8.2112 9.2836 9.2836 9.2892 9.2892 9.5874 9.5874 k = 0.0441 0.0255 0.0720 ( 8811 PWs) bands (ev): -21.8968 -21.8968 -21.8904 -21.8904 -13.3978 -13.3978 -11.1257 -11.1257 -11.1144 -11.1144 -11.1088 -11.1088 -10.6605 -10.6605 -10.6569 -10.6569 -8.7962 -8.7962 -6.6633 -6.6633 -6.6079 -6.6079 -5.8168 -5.8168 -5.8147 -5.8147 -5.7457 -5.7457 -5.7440 -5.7440 -2.4002 -2.4002 -2.2582 -2.2582 -2.2440 -2.2440 0.1908 0.1908 0.2034 0.2034 0.2088 0.2088 1.1363 1.1363 1.1591 1.1591 1.4170 1.4170 1.4305 1.4305 1.4442 1.4442 1.4988 1.4988 1.5705 1.5705 1.6834 1.6834 1.7250 1.7250 2.1654 2.1654 2.2270 2.2270 2.2356 2.2356 5.4301 5.4301 5.6871 5.6871 5.7195 5.7195 8.1811 8.1811 9.2625 9.2625 9.2666 9.2666 9.5678 9.5678 k = 0.0331 0.0191 0.0540 ( 8813 PWs) bands (ev): -21.8968 -21.8968 -21.8904 -21.8904 -13.3984 -13.3984 -11.1242 -11.1242 -11.1132 -11.1132 -11.1099 -11.1099 -10.6583 -10.6583 -10.6562 -10.6562 -8.7998 -8.7998 -6.6645 -6.6645 -6.6085 -6.6085 -5.8178 -5.8178 -5.8166 -5.8166 -5.7461 -5.7461 -5.7451 -5.7451 -2.4009 -2.4009 -2.2563 -2.2563 -2.2483 -2.2483 0.1936 0.1936 0.2008 0.2008 0.2039 0.2039 1.1514 1.1514 1.1646 1.1646 1.4334 1.4334 1.4394 1.4394 1.4514 1.4514 1.5015 1.5015 1.5631 1.5631 1.6834 1.6834 1.7073 1.7073 2.1724 2.1724 2.2356 2.2356 2.2405 2.2405 5.4258 5.4258 5.6879 5.6879 5.7063 5.7063 8.1575 8.1575 9.2461 9.2461 9.2486 9.2486 9.5521 9.5521 k = 0.0221 0.0127 0.0360 ( 8815 PWs) bands (ev): -21.8969 -21.8969 -21.8904 -21.8904 -13.3989 -13.3989 -11.1235 -11.1235 -11.1121 -11.1121 -11.1106 -11.1106 -10.6566 -10.6566 -10.6557 -10.6557 -8.8024 -8.8024 -6.6653 -6.6653 -6.6089 -6.6089 -5.8185 -5.8185 -5.8180 -5.8180 -5.7463 -5.7463 -5.7459 -5.7459 -2.4014 -2.4014 -2.2549 -2.2549 -2.2513 -2.2513 0.1958 0.1958 0.1989 0.1989 0.2004 0.2004 1.1625 1.1625 1.1685 1.1685 1.4397 1.4397 1.4427 1.4427 1.4696 1.4696 1.5038 1.5038 1.5532 1.5532 1.6835 1.6835 1.6942 1.6942 2.1774 2.1774 2.2419 2.2419 2.2441 2.2441 5.4223 5.4223 5.6887 5.6887 5.6970 5.6970 8.1404 8.1404 9.2344 9.2344 9.2356 9.2356 9.5408 9.5408 k = 0.0110 0.0064 0.0180 ( 8801 PWs) bands (ev): -21.8969 -21.8969 -21.8904 -21.8904 -13.3992 -13.3992 -11.1231 -11.1231 -11.1114 -11.1114 -11.1110 -11.1110 -10.6557 -10.6557 -10.6554 -10.6554 -8.8040 -8.8040 -6.6658 -6.6658 -6.6092 -6.6092 -5.8190 -5.8190 -5.8188 -5.8188 -5.7465 -5.7465 -5.7464 -5.7464 -2.4019 -2.4019 -2.2539 -2.2539 -2.2530 -2.2530 0.1970 0.1970 0.1978 0.1978 0.1983 0.1983 1.1693 1.1693 1.1708 1.1708 1.4428 1.4428 1.4436 1.4436 1.4874 1.4874 1.5054 1.5054 1.5422 1.5422 1.6836 1.6836 1.6863 1.6863 2.1804 2.1804 2.2457 2.2457 2.2463 2.2463 5.4200 5.4200 5.6893 5.6893 5.6914 5.6914 8.1302 8.1302 9.2273 9.2273 9.2276 9.2276 9.5339 9.5339 k = 0.0000 0.0000 0.0000 ( 8801 PWs) bands (ev): -21.8969 -21.8969 -21.8904 -21.8904 -13.3992 -13.3992 -11.1231 -11.1231 -11.1111 -11.1111 -11.1111 -11.1111 -10.6553 -10.6553 -10.6553 -10.6553 -8.8045 -8.8045 -6.6660 -6.6660 -6.6093 -6.6093 -5.8191 -5.8191 -5.8191 -5.8191 -5.7465 -5.7465 -5.7465 -5.7465 -2.4020 -2.4020 -2.2536 -2.2536 -2.2536 -2.2536 0.1974 0.1974 0.1974 0.1974 0.1977 0.1977 1.1716 1.1716 1.1716 1.1716 1.4438 1.4438 1.4438 1.4438 1.4960 1.4960 1.5059 1.5059 1.5359 1.5359 1.6837 1.6837 1.6837 1.6837 2.1814 2.1814 2.2470 2.2470 2.2470 2.2470 5.4191 5.4191 5.6895 5.6895 5.6895 5.6895 8.1268 8.1268 9.2250 9.2250 9.2250 9.2250 9.5315 9.5315 k = 0.0000 0.0000 0.0000 ( 8801 PWs) bands (ev): -21.8969 -21.8969 -21.8904 -21.8904 -13.3992 -13.3992 -11.1231 -11.1231 -11.1111 -11.1111 -11.1111 -11.1111 -10.6553 -10.6553 -10.6553 -10.6553 -8.8045 -8.8045 -6.6660 -6.6660 -6.6093 -6.6093 -5.8191 -5.8191 -5.8191 -5.8191 -5.7465 -5.7465 -5.7465 -5.7465 -2.4020 -2.4020 -2.2536 -2.2536 -2.2536 -2.2536 0.1974 0.1974 0.1974 0.1974 0.1977 0.1977 1.1716 1.1716 1.1716 1.1716 1.4438 1.4438 1.4438 1.4438 1.4960 1.4960 1.5059 1.5059 1.5359 1.5359 1.6837 1.6837 1.6837 1.6837 2.1814 2.1814 2.2470 2.2470 2.2470 2.2470 5.4191 5.4191 5.6895 5.6895 5.6895 5.6895 8.1268 8.1268 9.2250 9.2250 9.2250 9.2250 9.5315 9.5315 k = 0.0179 0.0103 0.0073 ( 8801 PWs) bands (ev): -21.8969 -21.8969 -21.8904 -21.8904 -13.3992 -13.3992 -11.1231 -11.1231 -11.1114 -11.1114 -11.1110 -11.1110 -10.6555 -10.6555 -10.6555 -10.6555 -8.8040 -8.8040 -6.6658 -6.6658 -6.6092 -6.6092 -5.8190 -5.8190 -5.8188 -5.8188 -5.7465 -5.7465 -5.7464 -5.7464 -2.4019 -2.4019 -2.2540 -2.2540 -2.2530 -2.2530 0.1972 0.1972 0.1978 0.1978 0.1981 0.1981 1.1701 1.1701 1.1701 1.1701 1.4427 1.4427 1.4436 1.4436 1.4876 1.4876 1.5054 1.5054 1.5421 1.5421 1.6838 1.6838 1.6861 1.6861 2.1804 2.1804 2.2458 2.2458 2.2462 2.2462 5.4199 5.4199 5.6892 5.6892 5.6915 5.6915 8.1301 8.1301 9.2274 9.2274 9.2274 9.2274 9.5338 9.5338 k = 0.0357 0.0206 0.0146 ( 8807 PWs) bands (ev): -21.8969 -21.8969 -21.8904 -21.8904 -13.3989 -13.3989 -11.1235 -11.1235 -11.1121 -11.1121 -11.1105 -11.1105 -10.6562 -10.6562 -10.6562 -10.6562 -8.8025 -8.8025 -6.6653 -6.6653 -6.6089 -6.6089 -5.8186 -5.8186 -5.8180 -5.8180 -5.7464 -5.7464 -5.7459 -5.7459 -2.4015 -2.4015 -2.2551 -2.2551 -2.2511 -2.2511 0.1962 0.1962 0.1992 0.1992 0.1997 0.1997 1.1655 1.1655 1.1657 1.1657 1.4396 1.4396 1.4428 1.4428 1.4699 1.4699 1.5038 1.5038 1.5533 1.5533 1.6843 1.6843 1.6933 1.6933 2.1775 2.1775 2.2424 2.2424 2.2437 2.2437 5.4222 5.4222 5.6882 5.6882 5.6974 5.6974 8.1402 8.1402 9.2348 9.2348 9.2348 9.2348 9.5406 9.5406 k = 0.0536 0.0309 0.0219 ( 8816 PWs) bands (ev): -21.8968 -21.8968 -21.8904 -21.8904 -13.3984 -13.3984 -11.1244 -11.1244 -11.1130 -11.1130 -11.1099 -11.1099 -10.6572 -10.6572 -10.6572 -10.6572 -8.7999 -8.7999 -6.6645 -6.6645 -6.6085 -6.6085 -5.8179 -5.8179 -5.8166 -5.8166 -5.7461 -5.7461 -5.7451 -5.7451 -2.4010 -2.4010 -2.2567 -2.2567 -2.2478 -2.2478 0.1947 0.1947 0.2013 0.2013 0.2022 0.2022 1.1580 1.1580 1.1584 1.1584 1.4345 1.4345 1.4376 1.4376 1.4521 1.4521 1.5015 1.5015 1.5639 1.5639 1.6850 1.6850 1.7052 1.7052 2.1727 2.1727 2.2367 2.2367 2.2396 2.2396 5.4255 5.4255 5.6870 5.6870 5.7072 5.7072 8.1569 8.1569 9.2469 9.2469 9.2470 9.2470 9.5517 9.5517 k = 0.0714 0.0412 0.0292 ( 8798 PWs) bands (ev): -21.8968 -21.8968 -21.8904 -21.8904 -13.3978 -13.3978 -11.1264 -11.1264 -11.1136 -11.1136 -11.1089 -11.1089 -10.6586 -10.6586 -10.6586 -10.6586 -8.7964 -8.7964 -6.6633 -6.6633 -6.6079 -6.6079 -5.8169 -5.8169 -5.8146 -5.8146 -5.7458 -5.7458 -5.7440 -5.7440 -2.4005 -2.4005 -2.2586 -2.2586 -2.2434 -2.2434 0.1926 0.1926 0.2044 0.2044 0.2058 0.2058 1.1477 1.1477 1.1484 1.1484 1.4182 1.4182 1.4272 1.4272 1.4452 1.4452 1.4990 1.4990 1.5728 1.5728 1.6860 1.6860 1.7212 1.7212 2.1661 2.1661 2.2289 2.2289 2.2340 2.2340 5.4290 5.4290 5.6863 5.6863 5.7206 5.7206 8.1801 8.1801 9.2637 9.2637 9.2639 9.2639 9.5670 9.5670 k = 0.0893 0.0515 0.0365 ( 8822 PWs) bands (ev): -21.8968 -21.8968 -21.8905 -21.8905 -13.3970 -13.3970 -11.1297 -11.1297 -11.1135 -11.1135 -11.1077 -11.1077 -10.6605 -10.6605 -10.6604 -10.6604 -8.7919 -8.7919 -6.6619 -6.6619 -6.6072 -6.6072 -5.8157 -5.8157 -5.8122 -5.8122 -5.7455 -5.7455 -5.7426 -5.7426 -2.4004 -2.4004 -2.2605 -2.2605 -2.2377 -2.2377 0.1899 0.1899 0.2083 0.2083 0.2104 0.2104 1.1347 1.1347 1.1358 1.1358 1.3925 1.3925 1.4180 1.4180 1.4408 1.4408 1.4970 1.4970 1.5802 1.5802 1.6873 1.6873 1.7409 1.7409 2.1576 2.1576 2.2192 2.2192 2.2271 2.2271 5.4319 5.4319 5.6868 5.6868 5.7374 5.7374 8.2096 8.2096 9.2849 9.2849 9.2852 9.2852 9.5859 9.5859 k = 0.1071 0.0619 0.0437 ( 8837 PWs) bands (ev): -21.8967 -21.8967 -21.8905 -21.8905 -13.3961 -13.3961 -11.1342 -11.1342 -11.1127 -11.1127 -11.1062 -11.1062 -10.6626 -10.6626 -10.6626 -10.6626 -8.7866 -8.7866 -6.6601 -6.6601 -6.6064 -6.6064 -5.8142 -5.8142 -5.8092 -5.8092 -5.7451 -5.7451 -5.7410 -5.7410 -2.4011 -2.4011 -2.2620 -2.2620 -2.2309 -2.2309 0.1867 0.1867 0.2130 0.2130 0.2159 0.2159 1.1194 1.1194 1.1209 1.1209 1.3645 1.3645 1.4066 1.4066 1.4342 1.4342 1.4965 1.4965 1.5865 1.5865 1.6889 1.6889 1.7636 1.7636 2.1475 2.1475 2.2078 2.2078 2.2191 2.2191 5.4329 5.4329 5.6897 5.6897 5.7575 5.7575 8.2452 8.2452 9.3103 9.3103 9.3108 9.3108 9.6081 9.6081 k = 0.1250 0.0722 0.0510 ( 8837 PWs) bands (ev): -21.8966 -21.8966 -21.8906 -21.8906 -13.3950 -13.3950 -11.1397 -11.1397 -11.1114 -11.1114 -11.1045 -11.1045 -10.6652 -10.6652 -10.6651 -10.6651 -8.7805 -8.7805 -6.6580 -6.6580 -6.6054 -6.6054 -5.8125 -5.8125 -5.8057 -5.8057 -5.7446 -5.7446 -5.7391 -5.7391 -2.4029 -2.4029 -2.2625 -2.2625 -2.2230 -2.2230 0.1832 0.1832 0.2184 0.2184 0.2224 0.2224 1.1019 1.1019 1.1037 1.1037 1.3350 1.3350 1.3933 1.3933 1.4243 1.4243 1.4981 1.4981 1.5921 1.5921 1.6908 1.6908 1.7885 1.7885 2.1359 2.1359 2.1948 2.1948 2.2100 2.2100 5.4308 5.4308 5.6960 5.6960 5.7804 5.7804 8.2866 8.2866 9.3396 9.3396 9.3403 9.3403 9.6331 9.6331 k = 0.1429 0.0825 0.0583 ( 8846 PWs) bands (ev): -21.8965 -21.8965 -21.8907 -21.8907 -13.3938 -13.3938 -11.1461 -11.1461 -11.1098 -11.1098 -11.1026 -11.1026 -10.6680 -10.6680 -10.6679 -10.6679 -8.7737 -8.7737 -6.6557 -6.6557 -6.6043 -6.6043 -5.8106 -5.8106 -5.8019 -5.8019 -5.7441 -5.7441 -5.7370 -5.7370 -2.4061 -2.4061 -2.2617 -2.2617 -2.2141 -2.2141 0.1792 0.1792 0.2247 0.2247 0.2298 0.2298 1.0824 1.0824 1.0846 1.0846 1.3041 1.3041 1.3781 1.3781 1.4112 1.4112 1.5017 1.5017 1.5973 1.5973 1.6929 1.6929 1.8153 1.8153 2.1231 2.1231 2.1806 2.1806 2.2000 2.2000 5.4249 5.4249 5.7063 5.7063 5.8058 5.8058 8.3334 8.3334 9.3724 9.3724 9.3733 9.3733 9.6600 9.6600 k = 0.1607 0.0928 0.0656 ( 8846 PWs) bands (ev): -21.8964 -21.8964 -21.8907 -21.8907 -13.3925 -13.3925 -11.1532 -11.1532 -11.1078 -11.1078 -11.1004 -11.1004 -10.6712 -10.6712 -10.6710 -10.6710 -8.7663 -8.7663 -6.6532 -6.6532 -6.6032 -6.6032 -5.8084 -5.8084 -5.7976 -5.7976 -5.7436 -5.7436 -5.7347 -5.7347 -2.4110 -2.4110 -2.2593 -2.2593 -2.2042 -2.2042 0.1751 0.1751 0.2316 0.2316 0.2381 0.2381 1.0613 1.0613 1.0639 1.0639 1.2721 1.2721 1.3611 1.3611 1.3952 1.3952 1.5070 1.5070 1.6023 1.6023 1.6952 1.6952 1.8434 1.8434 2.1094 2.1094 2.1654 2.1654 2.1891 2.1891 5.4147 5.4147 5.7209 5.7209 5.8334 5.8334 8.3854 8.3854 9.4085 9.4085 9.4096 9.4096 9.6882 9.6882 k = 0.1786 0.1031 0.0729 ( 8846 PWs) bands (ev): -21.8963 -21.8963 -21.8908 -21.8908 -13.3911 -13.3911 -11.1608 -11.1608 -11.1057 -11.1057 -11.0981 -11.0981 -10.6746 -10.6746 -10.6744 -10.6744 -8.7584 -8.7584 -6.6504 -6.6504 -6.6020 -6.6020 -5.8061 -5.8061 -5.7930 -5.7930 -5.7431 -5.7431 -5.7322 -5.7322 -2.4176 -2.4176 -2.2551 -2.2551 -2.1935 -2.1935 0.1707 0.1707 0.2393 0.2393 0.2473 0.2473 1.0389 1.0389 1.0417 1.0417 1.2391 1.2391 1.3424 1.3424 1.3768 1.3768 1.5137 1.5137 1.6073 1.6073 1.6978 1.6978 1.8724 1.8724 2.0953 2.0953 2.1494 2.1494 2.1775 2.1775 5.4004 5.4004 5.7395 5.7395 5.8627 5.8627 8.4420 8.4420 9.4473 9.4473 9.4487 9.4487 9.7169 9.7169 k = 0.1964 0.1134 0.0802 ( 8837 PWs) bands (ev): -21.8962 -21.8962 -21.8909 -21.8909 -13.3895 -13.3895 -11.1688 -11.1688 -11.1033 -11.1033 -11.0956 -11.0956 -10.6783 -10.6783 -10.6781 -10.6781 -8.7502 -8.7502 -6.6475 -6.6475 -6.6007 -6.6007 -5.8036 -5.8036 -5.7881 -5.7881 -5.7426 -5.7426 -5.7297 -5.7297 -2.4258 -2.4258 -2.2492 -2.2492 -2.1820 -2.1820 0.1662 0.1662 0.2475 0.2475 0.2571 0.2571 1.0154 1.0154 1.0186 1.0186 1.2055 1.2055 1.3221 1.3221 1.3562 1.3562 1.5215 1.5215 1.6121 1.6121 1.7004 1.7004 1.9014 1.9014 2.0814 2.0814 2.1329 2.1329 2.1653 2.1653 5.3824 5.3824 5.7615 5.7615 5.8934 5.8934 8.5030 8.5030 9.4886 9.4886 9.4903 9.4903 9.7452 9.7452 k = 0.2143 0.1237 0.0875 ( 8852 PWs) bands (ev): -21.8961 -21.8961 -21.8910 -21.8910 -13.3880 -13.3880 -11.1771 -11.1771 -11.1007 -11.1007 -11.0929 -11.0929 -10.6821 -10.6821 -10.6819 -10.6819 -8.7416 -8.7416 -6.6444 -6.6444 -6.5995 -6.5995 -5.8009 -5.8009 -5.7829 -5.7829 -5.7421 -5.7421 -5.7270 -5.7270 -2.4354 -2.4354 -2.2418 -2.2418 -2.1699 -2.1699 0.1618 0.1618 0.2562 0.2562 0.2677 0.2677 0.9912 0.9912 0.9947 0.9947 1.1714 1.1714 1.3005 1.3005 1.3339 1.3339 1.5303 1.5303 1.6170 1.6170 1.7033 1.7033 1.9293 1.9293 2.0689 2.0689 2.1161 2.1161 2.1525 2.1525 5.3613 5.3613 5.7861 5.7861 5.9251 5.9251 8.5677 8.5677 9.5320 9.5320 9.5340 9.5340 9.7724 9.7724 k = 0.2321 0.1340 0.0948 ( 8834 PWs) bands (ev): -21.8960 -21.8960 -21.8911 -21.8911 -13.3863 -13.3863 -11.1856 -11.1856 -11.0980 -11.0980 -11.0902 -11.0902 -10.6861 -10.6861 -10.6858 -10.6858 -8.7329 -8.7329 -6.6412 -6.6412 -6.5983 -6.5983 -5.7981 -5.7981 -5.7775 -5.7775 -5.7418 -5.7418 -5.7244 -5.7244 -2.4461 -2.4461 -2.2331 -2.2331 -2.1573 -2.1573 0.1574 0.1574 0.2653 0.2653 0.2789 0.2789 0.9666 0.9666 0.9706 0.9706 1.1370 1.1370 1.2778 1.2778 1.3102 1.3102 1.5399 1.5399 1.6220 1.6220 1.7062 1.7062 1.9536 1.9536 2.0601 2.0601 2.0993 2.0993 2.1393 2.1393 5.3379 5.3379 5.8126 5.8126 5.9573 5.9573 8.6358 8.6358 9.5771 9.5771 9.5795 9.5795 9.7977 9.7977 k = 0.2500 0.1443 0.1021 ( 8841 PWs) bands (ev): -21.8958 -21.8958 -21.8912 -21.8912 -13.3847 -13.3847 -11.1942 -11.1942 -11.0953 -11.0953 -11.0873 -11.0873 -10.6902 -10.6902 -10.6899 -10.6899 -8.7241 -8.7241 -6.6379 -6.6379 -6.5971 -6.5971 -5.7951 -5.7951 -5.7720 -5.7720 -5.7414 -5.7414 -5.7217 -5.7217 -2.4575 -2.4575 -2.2233 -2.2233 -2.1444 -2.1444 0.1532 0.1532 0.2747 0.2747 0.2906 0.2906 0.9419 0.9419 0.9464 0.9464 1.1027 1.1027 1.2540 1.2540 1.2853 1.2853 1.5502 1.5502 1.6269 1.6269 1.7091 1.7091 1.9694 1.9694 2.0596 2.0596 2.0826 2.0826 2.1260 2.1260 5.3128 5.3128 5.8403 5.8403 5.9896 5.9896 8.7068 8.7068 9.6236 9.6236 9.6264 9.6264 9.8206 9.8206 k = 0.2679 0.1546 0.1094 ( 8832 PWs) bands (ev): -21.8957 -21.8957 -21.8913 -21.8913 -13.3830 -13.3830 -11.2028 -11.2028 -11.0924 -11.0924 -11.0844 -11.0844 -10.6943 -10.6943 -10.6940 -10.6940 -8.7153 -8.7153 -6.6345 -6.6345 -6.5960 -6.5960 -5.7921 -5.7921 -5.7664 -5.7664 -5.7412 -5.7412 -5.7191 -5.7191 -2.4693 -2.4693 -2.2129 -2.2129 -2.1312 -2.1312 0.1492 0.1492 0.2843 0.2843 0.3026 0.3026 0.9176 0.9176 0.9227 0.9227 1.0688 1.0688 1.2295 1.2295 1.2595 1.2595 1.5610 1.5610 1.6319 1.6319 1.7122 1.7122 1.9725 1.9725 2.0663 2.0663 2.0703 2.0703 2.1140 2.1140 5.2864 5.2864 5.8684 5.8684 6.0216 6.0216 8.7799 8.7799 9.6713 9.6713 9.6744 9.6744 9.8406 9.8406 k = 0.2857 0.1650 0.1166 ( 8844 PWs) bands (ev): -21.8955 -21.8955 -21.8915 -21.8915 -13.3813 -13.3813 -11.2112 -11.2112 -11.0895 -11.0895 -11.0814 -11.0814 -10.6984 -10.6984 -10.6981 -10.6981 -8.7068 -8.7068 -6.6311 -6.6311 -6.5950 -6.5950 -5.7890 -5.7890 -5.7608 -5.7608 -5.7411 -5.7411 -5.7166 -5.7166 -2.4812 -2.4812 -2.2020 -2.2020 -2.1181 -2.1181 0.1456 0.1456 0.2939 0.2939 0.3149 0.3149 0.8941 0.8941 0.8999 0.8999 1.0356 1.0356 1.2044 1.2044 1.2330 1.2330 1.5723 1.5723 1.6370 1.6370 1.7152 1.7152 1.9660 1.9660 2.0504 2.0504 2.0807 2.0807 2.1114 2.1114 5.2595 5.2595 5.8966 5.8966 6.0529 6.0529 8.8548 8.8548 9.7198 9.7198 9.7232 9.7232 9.8572 9.8572 k = 0.3036 0.1753 0.1239 ( 8826 PWs) bands (ev): -21.8954 -21.8954 -21.8916 -21.8916 -13.3797 -13.3797 -11.2193 -11.2193 -11.0867 -11.0867 -11.0785 -11.0785 -10.7025 -10.7025 -10.7022 -10.7022 -8.6985 -8.6985 -6.6276 -6.6276 -6.5941 -6.5941 -5.7859 -5.7859 -5.7553 -5.7553 -5.7412 -5.7412 -5.7142 -5.7142 -2.4931 -2.4931 -2.1909 -2.1909 -2.1050 -2.1050 0.1424 0.1424 0.3034 0.3034 0.3272 0.3272 0.8717 0.8717 0.8783 0.8783 1.0033 1.0033 1.1790 1.1790 1.2062 1.2062 1.5838 1.5838 1.6422 1.6422 1.7183 1.7183 1.9553 1.9553 2.0352 2.0352 2.0736 2.0736 2.1302 2.1302 5.2325 5.2325 5.9242 5.9242 6.0833 6.0833 8.9307 8.9307 9.7689 9.7689 9.7726 9.7726 9.8703 9.8703 k = 0.3214 0.1856 0.1312 ( 8835 PWs) bands (ev): -21.8952 -21.8952 -21.8917 -21.8917 -13.3781 -13.3781 -11.2272 -11.2272 -11.0839 -11.0839 -11.0756 -11.0756 -10.7065 -10.7065 -10.7061 -10.7061 -8.6905 -8.6905 -6.6242 -6.6242 -6.5933 -6.5933 -5.7827 -5.7827 -5.7498 -5.7498 -5.7414 -5.7414 -5.7120 -5.7120 -2.5046 -2.5046 -2.1798 -2.1798 -2.0923 -2.0923 0.1395 0.1395 0.3126 0.3126 0.3393 0.3393 0.8508 0.8508 0.8584 0.8584 0.9723 0.9723 1.1536 1.1536 1.1793 1.1793 1.5953 1.5953 1.6476 1.6476 1.7213 1.7213 1.9430 1.9430 2.0208 2.0208 2.0602 2.0602 2.1563 2.1563 5.2058 5.2058 5.9509 5.9509 6.1122 6.1122 9.0071 9.0071 9.8183 9.8183 9.8223 9.8223 9.8795 9.8795 k = 0.3393 0.1959 0.1385 ( 8838 PWs) bands (ev): -21.8950 -21.8950 -21.8919 -21.8919 -13.3766 -13.3766 -11.2345 -11.2345 -11.0811 -11.0811 -11.0729 -11.0729 -10.7104 -10.7104 -10.7100 -10.7100 -8.6830 -8.6830 -6.6209 -6.6209 -6.5927 -6.5927 -5.7795 -5.7795 -5.7445 -5.7445 -5.7417 -5.7417 -5.7100 -5.7100 -2.5156 -2.5156 -2.1690 -2.1690 -2.0801 -2.0801 0.1371 0.1371 0.3212 0.3212 0.3510 0.3510 0.8318 0.8318 0.8405 0.8405 0.9429 0.9429 1.1284 1.1284 1.1526 1.1526 1.6067 1.6067 1.6533 1.6533 1.7243 1.7243 1.9306 1.9306 2.0073 2.0073 2.0457 2.0457 2.1832 2.1832 5.1800 5.1800 5.9762 5.9762 6.1395 6.1395 9.0831 9.0831 9.8676 9.8676 9.8715 9.8715 9.8850 9.8850 k = 0.3571 0.2062 0.1458 ( 8814 PWs) bands (ev): -21.8949 -21.8949 -21.8920 -21.8920 -13.3753 -13.3753 -11.2414 -11.2414 -11.0785 -11.0785 -11.0702 -11.0702 -10.7140 -10.7140 -10.7136 -10.7136 -8.6761 -8.6761 -6.6177 -6.6177 -6.5923 -6.5923 -5.7764 -5.7764 -5.7422 -5.7422 -5.7394 -5.7394 -5.7083 -5.7083 -2.5260 -2.5260 -2.1587 -2.1587 -2.0685 -2.0685 0.1352 0.1352 0.3291 0.3291 0.3621 0.3621 0.8151 0.8151 0.8250 0.8250 0.9155 0.9155 1.1038 1.1038 1.1265 1.1265 1.6175 1.6175 1.6594 1.6594 1.7271 1.7271 1.9185 1.9185 1.9949 1.9949 2.0310 2.0310 2.2093 2.2093 5.1555 5.1555 5.9998 5.9998 6.1648 6.1648 9.1583 9.1583 9.8853 9.8853 9.9164 9.9164 9.9213 9.9213 k = 0.3750 0.2165 0.1531 ( 8826 PWs) bands (ev): -21.8947 -21.8947 -21.8922 -21.8922 -13.3740 -13.3740 -11.2476 -11.2476 -11.0761 -11.0761 -11.0678 -11.0678 -10.7174 -10.7174 -10.7169 -10.7169 -8.6697 -8.6697 -6.6145 -6.6145 -6.5921 -6.5921 -5.7733 -5.7733 -5.7429 -5.7429 -5.7345 -5.7345 -5.7069 -5.7069 -2.5354 -2.5354 -2.1490 -2.1490 -2.0578 -2.0578 0.1337 0.1337 0.3362 0.3362 0.3723 0.3723 0.8010 0.8010 0.8120 0.8120 0.8903 0.8903 1.0801 1.0801 1.1014 1.1014 1.6275 1.6275 1.6659 1.6659 1.7299 1.7299 1.9072 1.9072 1.9835 1.9835 2.0166 2.0166 2.2337 2.2337 5.1326 5.1326 6.0213 6.0213 6.1877 6.1877 9.2316 9.2316 9.8821 9.8821 9.9643 9.9643 9.9693 9.9693 k = 0.3929 0.2268 0.1604 ( 8820 PWs) bands (ev): -21.8945 -21.8945 -21.8924 -21.8924 -13.3728 -13.3728 -11.2531 -11.2531 -11.0739 -11.0739 -11.0655 -11.0655 -10.7204 -10.7204 -10.7200 -10.7200 -8.6641 -8.6641 -6.6115 -6.6115 -6.5921 -6.5921 -5.7703 -5.7703 -5.7437 -5.7437 -5.7300 -5.7300 -5.7058 -5.7058 -2.5438 -2.5438 -2.1402 -2.1402 -2.0481 -2.0481 0.1325 0.1325 0.3422 0.3422 0.3813 0.3813 0.7896 0.7896 0.8018 0.8018 0.8677 0.8677 1.0577 1.0577 1.0777 1.0777 1.6362 1.6362 1.6731 1.6731 1.7324 1.7324 1.8968 1.8968 1.9734 1.9734 2.0028 2.0028 2.2558 2.2558 5.1119 5.1119 6.0405 6.0405 6.2082 6.2082 9.3024 9.3024 9.8744 9.8744 10.0106 10.0106 10.0158 10.0158 k = 0.4107 0.2371 0.1677 ( 8820 PWs) bands (ev): -21.8943 -21.8943 -21.8925 -21.8925 -13.3718 -13.3718 -11.2580 -11.2580 -11.0720 -11.0720 -11.0635 -11.0635 -10.7231 -10.7231 -10.7226 -10.7226 -8.6592 -8.6592 -6.6087 -6.6087 -6.5924 -6.5924 -5.7674 -5.7674 -5.7448 -5.7448 -5.7259 -5.7259 -5.7051 -5.7051 -2.5512 -2.5512 -2.1324 -2.1324 -2.0395 -2.0395 0.1317 0.1317 0.3473 0.3473 0.3891 0.3891 0.7810 0.7810 0.7943 0.7943 0.8480 0.8480 1.0371 1.0371 1.0559 1.0559 1.6433 1.6433 1.6806 1.6806 1.7347 1.7347 1.8877 1.8877 1.9646 1.9646 1.9900 1.9900 2.2753 2.2753 5.0937 5.0937 6.0572 6.0572 6.2258 6.2258 9.3697 9.3697 9.8624 9.8624 10.0544 10.0544 10.0598 10.0598 k = 0.4286 0.2474 0.1750 ( 8832 PWs) bands (ev): -21.8941 -21.8941 -21.8927 -21.8927 -13.3710 -13.3710 -11.2620 -11.2620 -11.0703 -11.0703 -11.0619 -11.0619 -10.7253 -10.7253 -10.7249 -10.7249 -8.6552 -8.6552 -6.6060 -6.6060 -6.5929 -6.5929 -5.7646 -5.7646 -5.7460 -5.7460 -5.7223 -5.7223 -5.7047 -5.7047 -2.5573 -2.5573 -2.1258 -2.1258 -2.0323 -2.0323 0.1312 0.1312 0.3512 0.3512 0.3954 0.3954 0.7750 0.7750 0.7892 0.7892 0.8314 0.8314 1.0189 1.0189 1.0366 1.0366 1.6490 1.6490 1.6881 1.6881 1.7368 1.7368 1.8799 1.8799 1.9573 1.9573 1.9786 1.9786 2.2917 2.2917 5.0783 5.0783 6.0711 6.0711 6.2406 6.2406 9.4322 9.4322 9.8464 9.8464 10.0945 10.0945 10.1000 10.1000 k = 0.4464 0.2577 0.1823 ( 8817 PWs) bands (ev): -21.8940 -21.8940 -21.8929 -21.8929 -13.3703 -13.3703 -11.2651 -11.2651 -11.0690 -11.0690 -11.0605 -11.0605 -10.7271 -10.7271 -10.7267 -10.7267 -8.6520 -8.6520 -6.6036 -6.6036 -6.5936 -6.5936 -5.7620 -5.7620 -5.7473 -5.7473 -5.7191 -5.7191 -5.7046 -5.7046 -2.5622 -2.5622 -2.1206 -2.1206 -2.0266 -2.0266 0.1309 0.1309 0.3541 0.3541 0.4002 0.4002 0.7712 0.7712 0.7862 0.7862 0.8182 0.8182 1.0037 1.0037 1.0205 1.0205 1.6533 1.6533 1.6950 1.6950 1.7384 1.7384 1.8736 1.8736 1.9514 1.9514 1.9689 1.9689 2.3049 2.3049 5.0660 5.0660 6.0821 6.0821 6.2522 6.2522 9.4885 9.4885 9.8272 9.8272 10.1293 10.1293 10.1349 10.1349 k = 0.4643 0.2681 0.1895 ( 8814 PWs) bands (ev): -21.8938 -21.8938 -21.8930 -21.8930 -13.3698 -13.3698 -11.2674 -11.2674 -11.0681 -11.0681 -11.0596 -11.0596 -10.7284 -10.7284 -10.7280 -10.7280 -8.6496 -8.6496 -6.6014 -6.6014 -6.5945 -6.5945 -5.7597 -5.7597 -5.7487 -5.7487 -5.7166 -5.7166 -5.7048 -5.7048 -2.5657 -2.5657 -2.1167 -2.1167 -2.0224 -2.0224 0.1307 0.1307 0.3561 0.3561 0.4036 0.4036 0.7692 0.7692 0.7847 0.7847 0.8086 0.8086 0.9921 0.9921 1.0083 1.0083 1.6562 1.6562 1.7005 1.7005 1.7397 1.7397 1.8690 1.8690 1.9472 1.9472 1.9616 1.9616 2.3144 2.3144 5.0570 5.0570 6.0900 6.0900 6.2606 6.2606 9.5359 9.5359 9.8068 9.8068 10.1567 10.1567 10.1623 10.1623 k = 0.4821 0.2784 0.1968 ( 8820 PWs) bands (ev): -21.8936 -21.8936 -21.8932 -21.8932 -13.3696 -13.3696 -11.2688 -11.2688 -11.0675 -11.0675 -11.0590 -11.0590 -10.7292 -10.7292 -10.7288 -10.7288 -8.6482 -8.6482 -6.5996 -6.5996 -6.5956 -6.5956 -5.7580 -5.7580 -5.7499 -5.7499 -5.7149 -5.7149 -5.7050 -5.7050 -2.5678 -2.5678 -2.1144 -2.1144 -2.0199 -2.0199 0.1306 0.1306 0.3573 0.3573 0.4056 0.4056 0.7683 0.7683 0.7841 0.7841 0.8027 0.8027 0.9848 0.9848 1.0007 1.0007 1.6580 1.6580 1.7042 1.7042 1.7404 1.7404 1.8662 1.8662 1.9446 1.9446 1.9570 1.9570 2.3202 2.3202 5.0515 5.0515 6.0948 6.0948 6.2656 6.2656 9.5697 9.5697 9.7895 9.7895 10.1745 10.1745 10.1801 10.1801 k = 0.5000 0.2887 0.2041 ( 8802 PWs) bands (ev): -21.8934 -21.8934 -21.8934 -21.8934 -13.3695 -13.3695 -11.2693 -11.2693 -11.0673 -11.0673 -11.0588 -11.0588 -10.7295 -10.7295 -10.7290 -10.7290 -8.6478 -8.6478 -6.5985 -6.5985 -6.5964 -6.5964 -5.7572 -5.7572 -5.7505 -5.7505 -5.7143 -5.7143 -5.7052 -5.7052 -2.5685 -2.5685 -2.1136 -2.1136 -2.0190 -2.0190 0.1306 0.1306 0.3576 0.3576 0.4063 0.4063 0.7681 0.7681 0.7839 0.7839 0.8008 0.8008 0.9823 0.9823 0.9981 0.9981 1.6586 1.6586 1.7054 1.7054 1.7407 1.7407 1.8652 1.8652 1.9438 1.9438 1.9554 1.9554 2.3222 2.3222 5.0497 5.0497 6.0965 6.0965 6.2673 6.2673 9.5825 9.5825 9.7822 9.7822 10.1806 10.1806 10.1863 10.1863 k = 0.5000 0.2887 0.2041 ( 8802 PWs) bands (ev): -21.8934 -21.8934 -21.8934 -21.8934 -13.3695 -13.3695 -11.2693 -11.2693 -11.0673 -11.0673 -11.0588 -11.0588 -10.7295 -10.7295 -10.7290 -10.7290 -8.6478 -8.6478 -6.5985 -6.5985 -6.5964 -6.5964 -5.7572 -5.7572 -5.7505 -5.7505 -5.7143 -5.7143 -5.7052 -5.7052 -2.5685 -2.5685 -2.1136 -2.1136 -2.0190 -2.0190 0.1306 0.1306 0.3576 0.3576 0.4063 0.4063 0.7681 0.7681 0.7839 0.7839 0.8008 0.8008 0.9823 0.9823 0.9981 0.9981 1.6586 1.6586 1.7054 1.7054 1.7407 1.7407 1.8652 1.8652 1.9438 1.9438 1.9554 1.9554 2.3222 2.3222 5.0497 5.0497 6.0965 6.0965 6.2673 6.2673 9.5825 9.5825 9.7822 9.7822 10.1806 10.1806 10.1863 10.1863 k = 0.5062 0.2706 0.2143 ( 8818 PWs) bands (ev): -21.8934 -21.8934 -21.8934 -21.8934 -13.3694 -13.3694 -11.2690 -11.2690 -11.0675 -11.0675 -11.0590 -11.0590 -10.7296 -10.7296 -10.7290 -10.7290 -8.6475 -8.6475 -6.5985 -6.5985 -6.5963 -6.5963 -5.7571 -5.7571 -5.7504 -5.7504 -5.7143 -5.7143 -5.7052 -5.7052 -2.5676 -2.5676 -2.1140 -2.1140 -2.0195 -2.0195 0.1309 0.1309 0.3572 0.3572 0.4058 0.4058 0.7644 0.7644 0.7796 0.7796 0.8084 0.8084 0.9835 0.9835 0.9992 0.9992 1.6572 1.6572 1.7041 1.7041 1.7390 1.7390 1.8646 1.8646 1.9428 1.9428 1.9550 1.9550 2.3236 2.3236 5.0526 5.0526 6.0959 6.0959 6.2667 6.2667 9.5855 9.5855 9.7849 9.7849 10.1830 10.1830 10.1889 10.1889 k = 0.5125 0.2526 0.2245 ( 8810 PWs) bands (ev): -21.8934 -21.8934 -21.8934 -21.8934 -13.3693 -13.3693 -11.2682 -11.2682 -11.0684 -11.0684 -11.0598 -11.0598 -10.7301 -10.7301 -10.7285 -10.7285 -8.6468 -8.6468 -6.5984 -6.5984 -6.5960 -6.5960 -5.7566 -5.7566 -5.7500 -5.7500 -5.7142 -5.7142 -5.7052 -5.7052 -2.5649 -2.5649 -2.1152 -2.1152 -2.0208 -2.0208 0.1318 0.1318 0.3557 0.3557 0.4049 0.4049 0.7539 0.7539 0.7753 0.7753 0.8220 0.8220 0.9870 0.9870 1.0028 1.0028 1.6529 1.6529 1.7000 1.7000 1.7341 1.7341 1.8626 1.8626 1.9400 1.9400 1.9542 1.9542 2.3277 2.3277 5.0612 5.0612 6.0941 6.0941 6.2647 6.2647 9.5946 9.5946 9.7928 9.7928 10.1890 10.1890 10.1978 10.1978 k = 0.5188 0.2345 0.2347 ( 8818 PWs) bands (ev): -21.8934 -21.8934 -21.8934 -21.8934 -13.3691 -13.3691 -11.2668 -11.2668 -11.0698 -11.0698 -11.0611 -11.0611 -10.7311 -10.7311 -10.7277 -10.7277 -8.6456 -8.6456 -6.5982 -6.5982 -6.5955 -6.5955 -5.7559 -5.7559 -5.7493 -5.7493 -5.7142 -5.7142 -5.7052 -5.7052 -2.5605 -2.5605 -2.1171 -2.1171 -2.0229 -2.0229 0.1332 0.1332 0.3524 0.3524 0.4043 0.4043 0.7401 0.7401 0.7719 0.7719 0.8371 0.8371 0.9927 0.9927 1.0085 1.0085 1.6457 1.6457 1.6933 1.6933 1.7264 1.7264 1.8586 1.8586 1.9352 1.9352 1.9536 1.9536 2.3343 2.3343 5.0754 5.0754 6.0911 6.0911 6.2616 6.2616 9.6096 9.6096 9.8059 9.8059 10.1977 10.1977 10.2137 10.2137 k = 0.5250 0.2165 0.2449 ( 8822 PWs) bands (ev): -21.8934 -21.8934 -21.8934 -21.8934 -13.3688 -13.3688 -11.2649 -11.2649 -11.0718 -11.0718 -11.0628 -11.0628 -10.7325 -10.7325 -10.7266 -10.7266 -8.6440 -8.6440 -6.5980 -6.5980 -6.5949 -6.5949 -5.7549 -5.7549 -5.7484 -5.7484 -5.7141 -5.7141 -5.7051 -5.7051 -2.5543 -2.5543 -2.1198 -2.1198 -2.0258 -2.0258 0.1351 0.1351 0.3468 0.3468 0.4052 0.4052 0.7248 0.7248 0.7686 0.7686 0.8530 0.8530 1.0003 1.0003 1.0163 1.0163 1.6352 1.6352 1.6840 1.6840 1.7168 1.7168 1.8519 1.8519 1.9286 1.9286 1.9538 1.9538 2.3433 2.3433 5.0948 5.0948 6.0870 6.0870 6.2572 6.2572 9.6304 9.6304 9.8241 9.8241 10.2093 10.2093 10.2364 10.2364 k = 0.5312 0.1985 0.2552 ( 8820 PWs) bands (ev): -21.8934 -21.8934 -21.8934 -21.8934 -13.3684 -13.3684 -11.2625 -11.2625 -11.0744 -11.0744 -11.0647 -11.0647 -10.7343 -10.7343 -10.7251 -10.7251 -8.6420 -8.6420 -6.5976 -6.5976 -6.5941 -6.5941 -5.7537 -5.7537 -5.7472 -5.7472 -5.7140 -5.7140 -5.7051 -5.7051 -2.5465 -2.5465 -2.1232 -2.1232 -2.0295 -2.0295 0.1371 0.1371 0.3387 0.3387 0.4081 0.4081 0.7084 0.7084 0.7651 0.7651 0.8696 0.8696 1.0096 1.0096 1.0260 1.0260 1.6214 1.6214 1.6723 1.6723 1.7060 1.7060 1.8421 1.8421 1.9204 1.9204 1.9552 1.9552 2.3542 2.3542 5.1191 5.1191 6.0817 6.0817 6.2517 6.2517 9.6568 9.6568 9.8471 9.8471 10.2236 10.2236 10.2654 10.2654 k = 0.5375 0.1804 0.2654 ( 8812 PWs) bands (ev): -21.8934 -21.8934 -21.8934 -21.8934 -13.3680 -13.3680 -11.2596 -11.2596 -11.0777 -11.0777 -11.0669 -11.0669 -10.7365 -10.7365 -10.7234 -10.7234 -8.6396 -8.6396 -6.5972 -6.5972 -6.5932 -6.5932 -5.7523 -5.7523 -5.7458 -5.7458 -5.7139 -5.7139 -5.7051 -5.7051 -2.5371 -2.5371 -2.1273 -2.1273 -2.0338 -2.0338 0.1392 0.1392 0.3287 0.3287 0.4132 0.4132 0.6910 0.6910 0.7617 0.7617 0.8867 0.8867 1.0205 1.0205 1.0372 1.0372 1.6040 1.6040 1.6582 1.6582 1.6947 1.6947 1.8289 1.8289 1.9108 1.9108 1.9582 1.9582 2.3667 2.3667 5.1477 5.1477 6.0752 6.0752 6.2453 6.2453 9.6885 9.6885 9.8746 9.8746 10.2407 10.2407 10.3003 10.3003 k = 0.5437 0.1624 0.2756 ( 8812 PWs) bands (ev): -21.8934 -21.8934 -21.8934 -21.8934 -13.3675 -13.3675 -11.2562 -11.2562 -11.0815 -11.0815 -11.0693 -11.0693 -10.7391 -10.7391 -10.7214 -10.7214 -8.6369 -8.6369 -6.5966 -6.5966 -6.5922 -6.5922 -5.7506 -5.7506 -5.7443 -5.7443 -5.7138 -5.7138 -5.7050 -5.7050 -2.5264 -2.5264 -2.1321 -2.1321 -2.0386 -2.0386 0.1408 0.1408 0.3178 0.3178 0.4200 0.4200 0.6726 0.6726 0.7586 0.7586 0.9042 0.9042 1.0326 1.0326 1.0498 1.0498 1.5831 1.5831 1.6420 1.6420 1.6834 1.6834 1.8127 1.8127 1.9000 1.9000 1.9626 1.9626 2.3804 2.3804 5.1802 5.1802 6.0676 6.0676 6.2380 6.2380 9.7252 9.7252 9.9062 9.9062 10.2603 10.2603 10.3407 10.3407 k = 0.5500 0.1443 0.2858 ( 8807 PWs) bands (ev): -21.8934 -21.8934 -21.8933 -21.8933 -13.3670 -13.3670 -11.2523 -11.2523 -11.0859 -11.0859 -11.0718 -11.0718 -10.7421 -10.7421 -10.7192 -10.7192 -8.6338 -8.6338 -6.5960 -6.5960 -6.5912 -6.5912 -5.7488 -5.7488 -5.7426 -5.7426 -5.7137 -5.7137 -5.7049 -5.7049 -2.5143 -2.5143 -2.1374 -2.1374 -2.0439 -2.0439 0.1416 0.1416 0.3071 0.3071 0.4284 0.4284 0.6531 0.6531 0.7561 0.7561 0.9220 0.9220 1.0457 1.0457 1.0635 1.0635 1.5590 1.5590 1.6238 1.6238 1.6723 1.6723 1.7940 1.7940 1.8880 1.8880 1.9682 1.9682 2.3950 2.3950 5.2158 5.2158 6.0591 6.0591 6.2300 6.2300 9.7664 9.7664 9.9414 9.9414 10.2822 10.2822 10.3862 10.3862 k = 0.5563 0.1263 0.2960 ( 8805 PWs) bands (ev): -21.8934 -21.8934 -21.8933 -21.8933 -13.3664 -13.3664 -11.2480 -11.2480 -11.0906 -11.0906 -11.0744 -11.0744 -10.7455 -10.7455 -10.7167 -10.7167 -8.6306 -8.6306 -6.5953 -6.5953 -6.5901 -6.5901 -5.7468 -5.7468 -5.7408 -5.7408 -5.7136 -5.7136 -5.7048 -5.7048 -2.5011 -2.5011 -2.1432 -2.1432 -2.0496 -2.0496 0.1407 0.1407 0.2976 0.2976 0.4381 0.4381 0.6328 0.6328 0.7544 0.7544 0.9399 0.9399 1.0597 1.0597 1.0781 1.0781 1.5323 1.5323 1.6041 1.6041 1.6614 1.6614 1.7736 1.7736 1.8750 1.8750 1.9749 1.9749 2.4102 2.4102 5.2540 5.2540 6.0496 6.0496 6.2213 6.2213 9.8116 9.8116 9.9799 9.9799 10.3062 10.3062 10.4362 10.4362 k = 0.5625 0.1083 0.3062 ( 8808 PWs) bands (ev): -21.8934 -21.8934 -21.8933 -21.8933 -13.3658 -13.3658 -11.2433 -11.2433 -11.0957 -11.0957 -11.0772 -11.0772 -10.7492 -10.7492 -10.7141 -10.7141 -8.6272 -8.6272 -6.5946 -6.5946 -6.5889 -6.5889 -5.7447 -5.7447 -5.7389 -5.7389 -5.7135 -5.7135 -5.7047 -5.7047 -2.4870 -2.4870 -2.1494 -2.1494 -2.0556 -2.0556 0.1377 0.1377 0.2904 0.2904 0.4487 0.4487 0.6117 0.6117 0.7536 0.7536 0.9580 0.9580 1.0744 1.0744 1.0934 1.0934 1.5032 1.5032 1.5830 1.5830 1.6508 1.6508 1.7520 1.7520 1.8610 1.8610 1.9823 1.9823 2.4256 2.4256 5.2939 5.2939 6.0395 6.0395 6.2121 6.2121 9.8601 9.8601 10.0210 10.0210 10.3319 10.3319 10.4897 10.4897 k = 0.5687 0.0902 0.3164 ( 8810 PWs) bands (ev): -21.8934 -21.8934 -21.8933 -21.8933 -13.3652 -13.3652 -11.2383 -11.2383 -11.1009 -11.1009 -11.0800 -11.0800 -10.7533 -10.7533 -10.7113 -10.7113 -8.6238 -8.6238 -6.5938 -6.5938 -6.5878 -6.5878 -5.7426 -5.7426 -5.7370 -5.7370 -5.7133 -5.7133 -5.7044 -5.7044 -2.4722 -2.4722 -2.1557 -2.1557 -2.0618 -2.0618 0.1319 0.1319 0.2865 0.2865 0.4600 0.4600 0.5901 0.5901 0.7539 0.7539 0.9762 0.9762 1.0893 1.0893 1.1092 1.1092 1.4724 1.4724 1.5609 1.5609 1.6403 1.6403 1.7300 1.7300 1.8462 1.8462 1.9903 1.9903 2.4409 2.4409 5.3349 5.3349 6.0289 6.0289 6.2025 6.2025 9.9110 9.9110 10.0641 10.0641 10.3591 10.3591 10.5458 10.5458 k = 0.5750 0.0722 0.3266 ( 8807 PWs) bands (ev): -21.8935 -21.8935 -21.8933 -21.8933 -13.3646 -13.3646 -11.2330 -11.2330 -11.1061 -11.1061 -11.0830 -11.0830 -10.7577 -10.7577 -10.7083 -10.7083 -8.6202 -8.6202 -6.5931 -6.5931 -6.5866 -6.5866 -5.7405 -5.7405 -5.7351 -5.7351 -5.7132 -5.7132 -5.7042 -5.7042 -2.4571 -2.4571 -2.1621 -2.1621 -2.0682 -2.0682 0.1233 0.1233 0.2861 0.2861 0.4714 0.4714 0.5686 0.5686 0.7554 0.7554 0.9943 0.9943 1.1043 1.1043 1.1255 1.1255 1.4404 1.4404 1.5381 1.5381 1.6300 1.6300 1.7079 1.7079 1.8306 1.8306 1.9989 1.9989 2.4559 2.4559 5.3761 5.3761 6.0182 6.0182 6.1925 6.1925 9.9632 9.9632 10.1088 10.1088 10.3876 10.3876 10.6029 10.6029 k = 0.5813 0.0541 0.3368 ( 8815 PWs) bands (ev): -21.8935 -21.8935 -21.8932 -21.8932 -13.3640 -13.3640 -11.2275 -11.2275 -11.1113 -11.1113 -11.0860 -11.0860 -10.7624 -10.7624 -10.7053 -10.7053 -8.6168 -8.6168 -6.5923 -6.5923 -6.5854 -6.5854 -5.7385 -5.7385 -5.7332 -5.7332 -5.7131 -5.7131 -5.7038 -5.7038 -2.4418 -2.4418 -2.1682 -2.1682 -2.0747 -2.0747 0.1122 0.1122 0.2891 0.2891 0.4814 0.4814 0.5486 0.5486 0.7584 0.7584 1.0125 1.0125 1.1190 1.1190 1.1418 1.1418 1.4077 1.4077 1.5149 1.5149 1.6198 1.6198 1.6864 1.6864 1.8144 1.8144 2.0078 2.0078 2.4703 2.4703 5.4166 5.4166 6.0078 6.0078 6.1822 6.1822 10.0152 10.0152 10.1546 10.1546 10.4171 10.4171 10.6589 10.6589 k = 0.5875 0.0361 0.3470 ( 8821 PWs) bands (ev): -21.8935 -21.8935 -21.8932 -21.8932 -13.3634 -13.3634 -11.2218 -11.2218 -11.1163 -11.1163 -11.0890 -11.0890 -10.7673 -10.7673 -10.7022 -10.7022 -8.6134 -8.6134 -6.5916 -6.5916 -6.5843 -6.5843 -5.7367 -5.7367 -5.7314 -5.7314 -5.7130 -5.7130 -5.7034 -5.7034 -2.4268 -2.4268 -2.1739 -2.1739 -2.0812 -2.0812 0.0992 0.0992 0.2950 0.2950 0.4859 0.4859 0.5343 0.5343 0.7628 0.7628 1.0306 1.0306 1.1330 1.1330 1.1580 1.1580 1.3750 1.3750 1.4918 1.4918 1.6096 1.6096 1.6660 1.6660 1.7977 1.7977 2.0170 2.0170 2.4839 2.4839 5.4557 5.4557 5.9981 5.9981 6.1716 6.1716 10.0648 10.0648 10.2014 10.2014 10.4474 10.4474 10.7115 10.7115 k = 0.5938 0.0180 0.3572 ( 8819 PWs) bands (ev): -21.8935 -21.8935 -21.8931 -21.8931 -13.3628 -13.3628 -11.2160 -11.2160 -11.1210 -11.1210 -11.0921 -11.0921 -10.7724 -10.7724 -10.6990 -10.6990 -8.6103 -8.6103 -6.5910 -6.5910 -6.5833 -6.5833 -5.7351 -5.7351 -5.7297 -5.7297 -5.7129 -5.7129 -5.7028 -5.7028 -2.4125 -2.4125 -2.1789 -2.1789 -2.0876 -2.0876 0.0851 0.0851 0.3034 0.3034 0.4779 0.4779 0.5327 0.5327 0.7689 0.7689 1.0487 1.0487 1.1459 1.1459 1.1732 1.1732 1.3432 1.3432 1.4692 1.4692 1.5996 1.5996 1.6470 1.6470 1.7808 1.7808 2.0265 2.0265 2.4963 2.4963 5.4924 5.4924 5.9896 5.9896 6.1610 6.1610 10.1098 10.1098 10.2491 10.2491 10.4784 10.4784 10.7575 10.7575 k = 0.6000-0.0000 0.3674 ( 8813 PWs) bands (ev): -21.8936 -21.8936 -21.8931 -21.8931 -13.3623 -13.3623 -11.2104 -11.2104 -11.1252 -11.1252 -11.0951 -11.0951 -10.7776 -10.7776 -10.6958 -10.6958 -8.6073 -8.6073 -6.5905 -6.5905 -6.5822 -6.5822 -5.7338 -5.7338 -5.7282 -5.7282 -5.7128 -5.7128 -5.7021 -5.7021 -2.3993 -2.3993 -2.1829 -2.1829 -2.0939 -2.0939 0.0704 0.0704 0.3134 0.3134 0.4608 0.4608 0.5408 0.5408 0.7768 0.7768 1.0665 1.0665 1.1571 1.1571 1.1859 1.1859 1.3145 1.3145 1.4479 1.4479 1.5895 1.5895 1.6297 1.6297 1.7638 1.7638 2.0362 2.0362 2.5075 2.5075 5.5258 5.5258 5.9827 5.9827 6.1503 6.1503 10.1477 10.1477 10.2972 10.2972 10.5099 10.5099 10.7944 10.7944 k = 0.6062-0.0180 0.3776 ( 8809 PWs) bands (ev): -21.8936 -21.8936 -21.8931 -21.8931 -13.3619 -13.3619 -11.2050 -11.2050 -11.1287 -11.1287 -11.0981 -11.0981 -10.7828 -10.7828 -10.6926 -10.6926 -8.6047 -8.6047 -6.5901 -6.5901 -6.5813 -6.5813 -5.7329 -5.7329 -5.7267 -5.7267 -5.7127 -5.7127 -5.7014 -5.7014 -2.3876 -2.3876 -2.1857 -2.1857 -2.1000 -2.1000 0.0556 0.0556 0.3247 0.3247 0.4415 0.4415 0.5517 0.5517 0.7865 0.7865 1.0840 1.0840 1.1653 1.1653 1.1928 1.1928 1.2929 1.2929 1.4285 1.4285 1.5796 1.5796 1.6146 1.6146 1.7470 1.7470 2.0460 2.0460 2.5172 2.5172 5.5550 5.5550 5.9780 5.9780 6.1398 6.1398 10.1767 10.1767 10.3447 10.3447 10.5420 10.5420 10.8203 10.8203 k = 0.6125-0.0361 0.3878 ( 8809 PWs) bands (ev): -21.8937 -21.8937 -21.8930 -21.8930 -13.3615 -13.3615 -11.2000 -11.2000 -11.1314 -11.1314 -11.1010 -11.1010 -10.7881 -10.7881 -10.6894 -10.6894 -8.6025 -8.6025 -6.5899 -6.5899 -6.5804 -6.5804 -5.7325 -5.7325 -5.7255 -5.7255 -5.7126 -5.7126 -5.7006 -5.7006 -2.3777 -2.3777 -2.1874 -2.1874 -2.1056 -2.1056 0.0412 0.0412 0.3360 0.3360 0.4232 0.4232 0.5630 0.5630 0.7981 0.7981 1.1010 1.1010 1.1670 1.1670 1.1914 1.1914 1.2844 1.2844 1.4119 1.4119 1.5699 1.5699 1.6015 1.6015 1.7304 1.7304 2.0560 2.0560 2.5251 2.5251 5.5794 5.5794 5.9756 5.9756 6.1296 6.1296 10.1955 10.1955 10.3894 10.3894 10.5749 10.5749 10.8345 10.8345 k = 0.6188-0.0541 0.3980 ( 8811 PWs) bands (ev): -21.8937 -21.8937 -21.8929 -21.8929 -13.3612 -13.3612 -11.1955 -11.1955 -11.1331 -11.1331 -11.1039 -11.1039 -10.7932 -10.7932 -10.6862 -10.6862 -8.6007 -8.6007 -6.5898 -6.5898 -6.5797 -6.5797 -5.7324 -5.7324 -5.7244 -5.7244 -5.7125 -5.7125 -5.6997 -5.6997 -2.3698 -2.3698 -2.1879 -2.1879 -2.1105 -2.1105 0.0274 0.0274 0.3455 0.3455 0.4088 0.4088 0.5737 0.5737 0.8117 0.8117 1.1170 1.1170 1.1542 1.1542 1.1892 1.1892 1.2894 1.2894 1.3987 1.3987 1.5608 1.5608 1.5905 1.5905 1.7144 1.7144 2.0659 2.0659 2.5312 2.5312 5.5986 5.5986 5.9752 5.9752 6.1202 6.1202 10.2035 10.2035 10.4286 10.4286 10.6087 10.6087 10.8377 10.8377 k = 0.6250-0.0722 0.4082 ( 8834 PWs) bands (ev): -21.8938 -21.8938 -21.8929 -21.8929 -13.3611 -13.3611 -11.1919 -11.1919 -11.1336 -11.1336 -11.1066 -11.1066 -10.7982 -10.7982 -10.6831 -10.6831 -8.5995 -8.5995 -6.5899 -6.5899 -6.5790 -6.5790 -5.7327 -5.7327 -5.7235 -5.7235 -5.7125 -5.7125 -5.6989 -5.6989 -2.3640 -2.3640 -2.1878 -2.1878 -2.1146 -2.1146 0.0144 0.0144 0.3488 0.3488 0.4029 0.4029 0.5830 0.5830 0.8273 0.8273 1.1243 1.1243 1.1378 1.1378 1.1887 1.1887 1.3019 1.3019 1.3897 1.3897 1.5527 1.5527 1.5813 1.5813 1.6991 1.6991 2.0760 2.0760 2.5352 2.5352 5.6128 5.6128 5.9762 5.9762 6.1120 6.1120 10.2005 10.2005 10.4597 10.4597 10.6430 10.6430 10.8309 10.8309 k = 0.6250-0.0722 0.4082 ( 8834 PWs) bands (ev): -21.8938 -21.8938 -21.8929 -21.8929 -13.3611 -13.3611 -11.1919 -11.1919 -11.1336 -11.1336 -11.1066 -11.1066 -10.7982 -10.7982 -10.6831 -10.6831 -8.5995 -8.5995 -6.5899 -6.5899 -6.5790 -6.5790 -5.7327 -5.7327 -5.7235 -5.7235 -5.7125 -5.7125 -5.6989 -5.6989 -2.3640 -2.3640 -2.1878 -2.1878 -2.1146 -2.1146 0.0144 0.0144 0.3488 0.3488 0.4029 0.4029 0.5830 0.5830 0.8273 0.8273 1.1243 1.1243 1.1378 1.1378 1.1887 1.1887 1.3019 1.3019 1.3897 1.3897 1.5527 1.5527 1.5813 1.5813 1.6991 1.6991 2.0760 2.0760 2.5352 2.5352 5.6128 5.6128 5.9762 5.9762 6.1120 6.1120 10.2005 10.2005 10.4597 10.4597 10.6430 10.6430 10.8309 10.8309 k = 0.6146-0.0662 0.4253 ( 8815 PWs) bands (ev): -21.8938 -21.8938 -21.8929 -21.8929 -13.3610 -13.3610 -11.1917 -11.1917 -11.1337 -11.1337 -11.1070 -11.1070 -10.7978 -10.7978 -10.6834 -10.6834 -8.5994 -8.5994 -6.5898 -6.5898 -6.5790 -6.5790 -5.7327 -5.7327 -5.7234 -5.7234 -5.7125 -5.7125 -5.6989 -5.6989 -2.3634 -2.3634 -2.1879 -2.1879 -2.1150 -2.1150 0.0154 0.0154 0.3477 0.3477 0.4016 0.4016 0.5857 0.5857 0.8255 0.8255 1.1236 1.1236 1.1386 1.1386 1.1894 1.1894 1.3020 1.3020 1.3901 1.3901 1.5507 1.5507 1.5789 1.5789 1.7029 1.7029 2.0746 2.0746 2.5356 2.5356 5.6142 5.6142 5.9760 5.9760 6.1111 6.1111 10.2031 10.2031 10.4617 10.4617 10.6457 10.6457 10.8314 10.8314 k = 0.6042-0.0601 0.4423 ( 8816 PWs) bands (ev): -21.8938 -21.8938 -21.8929 -21.8929 -13.3610 -13.3610 -11.1910 -11.1910 -11.1337 -11.1337 -11.1081 -11.1081 -10.7968 -10.7968 -10.6841 -10.6841 -8.5993 -8.5993 -6.5897 -6.5897 -6.5790 -6.5790 -5.7324 -5.7324 -5.7233 -5.7233 -5.7125 -5.7125 -5.6991 -5.6991 -2.3618 -2.3618 -2.1883 -2.1883 -2.1164 -2.1164 0.0185 0.0185 0.3436 0.3436 0.3989 0.3989 0.5932 0.5932 0.8204 0.8204 1.1220 1.1220 1.1405 1.1405 1.1915 1.1915 1.3023 1.3023 1.3913 1.3913 1.5449 1.5449 1.5724 1.5724 1.7132 1.7132 2.0706 2.0706 2.5366 2.5366 5.6183 5.6183 5.9754 5.9754 6.1086 6.1086 10.2108 10.2108 10.4676 10.4676 10.6537 10.6537 10.8327 10.8327 k = 0.5938-0.0541 0.4593 ( 8816 PWs) bands (ev): -21.8937 -21.8937 -21.8929 -21.8929 -13.3609 -13.3609 -11.1899 -11.1899 -11.1339 -11.1339 -11.1100 -11.1100 -10.7951 -10.7951 -10.6852 -10.6852 -8.5990 -8.5990 -6.5895 -6.5895 -6.5790 -6.5790 -5.7319 -5.7319 -5.7231 -5.7231 -5.7124 -5.7124 -5.6993 -5.6993 -2.3593 -2.3593 -2.1889 -2.1889 -2.1185 -2.1185 0.0237 0.0237 0.3350 0.3350 0.3975 0.3975 0.6041 0.6041 0.8123 0.8123 1.1199 1.1199 1.1428 1.1428 1.1948 1.1948 1.3029 1.3029 1.3933 1.3933 1.5362 1.5362 1.5633 1.5633 1.7282 1.7282 2.0639 2.0639 2.5382 2.5382 5.6249 5.6249 5.9744 5.9744 6.1044 6.1044 10.2235 10.2235 10.4771 10.4771 10.6667 10.6667 10.8348 10.8356 k = 0.5833-0.0481 0.4763 ( 8816 PWs) bands (ev): -21.8937 -21.8937 -21.8929 -21.8929 -13.3609 -13.3609 -11.1885 -11.1885 -11.1341 -11.1341 -11.1125 -11.1125 -10.7928 -10.7928 -10.6868 -10.6868 -8.5987 -8.5987 -6.5893 -6.5893 -6.5790 -6.5790 -5.7313 -5.7313 -5.7229 -5.7229 -5.7124 -5.7124 -5.6997 -5.6997 -2.3559 -2.3559 -2.1896 -2.1896 -2.1214 -2.1214 0.0308 0.0308 0.3215 0.3215 0.3991 0.3991 0.6169 0.6169 0.8015 0.8015 1.1178 1.1178 1.1451 1.1451 1.1994 1.1994 1.3037 1.3037 1.3958 1.3958 1.5256 1.5256 1.5523 1.5523 1.7460 1.7460 2.0548 2.0548 2.5403 2.5403 5.6337 5.6337 5.9731 5.9731 6.0989 6.0989 10.2409 10.2409 10.4895 10.4895 10.6846 10.6846 10.8324 10.8324 k = 0.5729-0.0421 0.4933 ( 8824 PWs) bands (ev): -21.8937 -21.8937 -21.8930 -21.8930 -13.3608 -13.3608 -11.1867 -11.1867 -11.1343 -11.1343 -11.1154 -11.1154 -10.7901 -10.7901 -10.6887 -10.6887 -8.5983 -8.5983 -6.5890 -6.5890 -6.5790 -6.5790 -5.7305 -5.7305 -5.7226 -5.7226 -5.7124 -5.7124 -5.7001 -5.7001 -2.3518 -2.3518 -2.1905 -2.1905 -2.1248 -2.1248 0.0399 0.0399 0.3041 0.3041 0.4038 0.4038 0.6304 0.6304 0.7886 0.7886 1.1158 1.1158 1.1468 1.1468 1.2052 1.2052 1.3049 1.3049 1.3989 1.3989 1.5142 1.5142 1.5400 1.5400 1.7656 1.7656 2.0434 2.0434 2.5428 2.5428 5.6442 5.6442 5.9717 5.9717 6.0922 6.0922 10.2627 10.2627 10.5035 10.5035 10.7068 10.7068 10.8288 10.8288 k = 0.5625-0.0361 0.5103 ( 8826 PWs) bands (ev): -21.8937 -21.8937 -21.8930 -21.8930 -13.3607 -13.3607 -11.1845 -11.1845 -11.1346 -11.1346 -11.1187 -11.1187 -10.7871 -10.7871 -10.6909 -10.6909 -8.5978 -8.5978 -6.5887 -6.5887 -6.5790 -6.5790 -5.7297 -5.7297 -5.7223 -5.7223 -5.7124 -5.7124 -5.7006 -5.7006 -2.3472 -2.3472 -2.1913 -2.1913 -2.1288 -2.1288 0.0509 0.0509 0.2842 0.2842 0.4106 0.4106 0.6437 0.6437 0.7744 0.7744 1.1142 1.1142 1.1479 1.1479 1.2119 1.2119 1.3063 1.3063 1.4024 1.4024 1.5027 1.5027 1.5266 1.5266 1.7863 1.7863 2.0298 2.0298 2.5455 2.5455 5.6559 5.6559 5.9703 5.9703 6.0845 6.0845 10.2886 10.2886 10.5179 10.5179 10.7328 10.7328 10.8255 10.8255 k = 0.5521-0.0301 0.5273 ( 8821 PWs) bands (ev): -21.8936 -21.8936 -21.8930 -21.8930 -13.3605 -13.3605 -11.1822 -11.1822 -11.1350 -11.1350 -11.1220 -11.1220 -10.7840 -10.7840 -10.6932 -10.6932 -8.5973 -8.5973 -6.5883 -6.5883 -6.5790 -6.5790 -5.7287 -5.7287 -5.7221 -5.7221 -5.7125 -5.7125 -5.7011 -5.7011 -2.3425 -2.3425 -2.1920 -2.1920 -2.1330 -2.1330 0.0637 0.0637 0.2629 0.2629 0.4187 0.4187 0.6560 0.6560 0.7595 0.7595 1.1128 1.1128 1.1482 1.1482 1.2196 1.2196 1.3079 1.3079 1.4061 1.4061 1.4914 1.4914 1.5130 1.5130 1.8077 1.8077 2.0145 2.0145 2.5482 2.5482 5.6679 5.6679 5.9692 5.9692 6.0762 6.0762 10.3178 10.3178 10.5303 10.5303 10.7612 10.7612 10.8241 10.8241 k = 0.5417-0.0241 0.5443 ( 8825 PWs) bands (ev): -21.8936 -21.8936 -21.8931 -21.8931 -13.3604 -13.3604 -11.1798 -11.1798 -11.1356 -11.1356 -11.1252 -11.1252 -10.7809 -10.7809 -10.6955 -10.6955 -8.5969 -8.5969 -6.5879 -6.5879 -6.5791 -6.5791 -5.7277 -5.7277 -5.7218 -5.7218 -5.7125 -5.7125 -5.7016 -5.7016 -2.3379 -2.3379 -2.1924 -2.1924 -2.1373 -2.1373 0.0781 0.0781 0.2409 0.2409 0.4272 0.4272 0.6668 0.6668 0.7448 0.7448 1.1120 1.1120 1.1477 1.1477 1.2280 1.2280 1.3091 1.3091 1.4097 1.4097 1.4803 1.4803 1.5005 1.5005 1.8293 1.8293 1.9975 1.9975 2.5509 2.5509 5.6794 5.6794 5.9687 5.9687 6.0678 6.0678 10.3497 10.3497 10.5384 10.5384 10.7894 10.7894 10.8274 10.8274 k = 0.5312-0.0180 0.5613 ( 8819 PWs) bands (ev): -21.8935 -21.8935 -21.8931 -21.8931 -13.3603 -13.3603 -11.1775 -11.1775 -11.1364 -11.1364 -11.1280 -11.1280 -10.7782 -10.7782 -10.6977 -10.6977 -8.5964 -8.5964 -6.5876 -6.5876 -6.5791 -6.5791 -5.7268 -5.7268 -5.7217 -5.7217 -5.7125 -5.7125 -5.7021 -5.7021 -2.3339 -2.3339 -2.1924 -2.1924 -2.1414 -2.1414 0.0942 0.0942 0.2187 0.2187 0.4354 0.4354 0.6758 0.6758 0.7313 0.7313 1.1116 1.1116 1.1466 1.1466 1.2369 1.2369 1.3097 1.3097 1.4131 1.4131 1.4691 1.4691 1.4907 1.4907 1.8510 1.8510 1.9793 1.9793 2.5533 2.5533 5.6895 5.6895 5.9690 5.9690 6.0598 6.0598 10.3836 10.3836 10.5395 10.5395 10.8098 10.8098 10.8424 10.8424 k = 0.5208-0.0120 0.5784 ( 8806 PWs) bands (ev): -21.8935 -21.8935 -21.8932 -21.8932 -13.3603 -13.3603 -11.1754 -11.1754 -11.1374 -11.1374 -11.1299 -11.1299 -10.7759 -10.7759 -10.6994 -10.6994 -8.5961 -8.5961 -6.5873 -6.5873 -6.5791 -6.5791 -5.7259 -5.7259 -5.7216 -5.7216 -5.7125 -5.7125 -5.7024 -5.7024 -2.3308 -2.3308 -2.1920 -2.1920 -2.1449 -2.1449 0.1115 0.1115 0.1968 0.1968 0.4423 0.4423 0.6828 0.6828 0.7200 0.7200 1.1117 1.1117 1.1452 1.1452 1.2455 1.2455 1.3089 1.3089 1.4156 1.4156 1.4592 1.4592 1.4841 1.4841 1.8723 1.8723 1.9602 1.9602 2.5552 2.5552 5.6974 5.6974 5.9700 5.9700 6.0528 6.0528 10.4183 10.4183 10.5316 10.5316 10.8210 10.8210 10.8687 10.8687 k = 0.5104-0.0060 0.5954 ( 8804 PWs) bands (ev): -21.8934 -21.8934 -21.8933 -21.8933 -13.3602 -13.3602 -11.1741 -11.1741 -11.1382 -11.1382 -11.1310 -11.1310 -10.7745 -10.7745 -10.7006 -10.7006 -8.5958 -8.5958 -6.5871 -6.5871 -6.5792 -6.5792 -5.7253 -5.7253 -5.7216 -5.7216 -5.7125 -5.7125 -5.7027 -5.7027 -2.3288 -2.3288 -2.1915 -2.1915 -2.1474 -2.1474 0.1296 0.1296 0.1760 0.1760 0.4470 0.4470 0.6875 0.6875 0.7121 0.7121 1.1121 1.1121 1.1440 1.1440 1.2529 1.2529 1.3069 1.3069 1.4167 1.4167 1.4525 1.4525 1.4804 1.4804 1.8925 1.8925 1.9412 1.9412 2.5565 2.5565 5.7023 5.7023 5.9714 5.9714 6.0477 6.0477 10.4528 10.4528 10.5138 10.5138 10.8296 10.8296 10.8891 10.8891 k = 0.5000-0.0000 0.6124 ( 8792 PWs) bands (ev): -21.8933 -21.8933 -21.8933 -21.8933 -13.3602 -13.3602 -11.1736 -11.1736 -11.1386 -11.1386 -11.1314 -11.1314 -10.7740 -10.7740 -10.7010 -10.7010 -8.5957 -8.5957 -6.5870 -6.5870 -6.5792 -6.5792 -5.7250 -5.7250 -5.7217 -5.7217 -5.7126 -5.7126 -5.7028 -5.7028 -2.3281 -2.3281 -2.1912 -2.1912 -2.1483 -2.1483 0.1422 0.1422 0.1624 0.1624 0.4487 0.4487 0.6893 0.6893 0.7091 0.7091 1.1123 1.1123 1.1434 1.1434 1.2563 1.2563 1.3054 1.3054 1.4169 1.4169 1.4504 1.4504 1.4792 1.4792 1.9052 1.9052 1.9289 1.9289 2.5570 2.5570 5.7040 5.7040 5.9721 5.9721 6.0457 6.0457 10.4827 10.4827 10.4895 10.4895 10.8340 10.8340 10.8988 10.8988 k = 0.5000-0.0000 0.6124 ( 8792 PWs) bands (ev): -21.8933 -21.8933 -21.8933 -21.8933 -13.3602 -13.3602 -11.1736 -11.1736 -11.1386 -11.1386 -11.1314 -11.1314 -10.7740 -10.7740 -10.7010 -10.7010 -8.5957 -8.5957 -6.5870 -6.5870 -6.5792 -6.5792 -5.7250 -5.7250 -5.7217 -5.7217 -5.7126 -5.7126 -5.7028 -5.7028 -2.3281 -2.3281 -2.1912 -2.1912 -2.1483 -2.1483 0.1422 0.1422 0.1624 0.1624 0.4487 0.4487 0.6893 0.6893 0.7091 0.7091 1.1123 1.1123 1.1434 1.1434 1.2563 1.2563 1.3054 1.3054 1.4169 1.4169 1.4504 1.4504 1.4792 1.4792 1.9052 1.9052 1.9289 1.9289 2.5570 2.5570 5.7040 5.7040 5.9721 5.9721 6.0457 6.0457 10.4827 10.4827 10.4895 10.4895 10.8340 10.8340 10.8988 10.8988 k = 0.5000 0.0126 0.5946 ( 8802 PWs) bands (ev): -21.8933 -21.8933 -21.8933 -21.8933 -13.3602 -13.3602 -11.1749 -11.1749 -11.1379 -11.1379 -11.1306 -11.1306 -10.7738 -10.7738 -10.7011 -10.7011 -8.5960 -8.5960 -6.5871 -6.5871 -6.5793 -6.5793 -5.7252 -5.7252 -5.7218 -5.7218 -5.7125 -5.7125 -5.7028 -5.7028 -2.3296 -2.3296 -2.1917 -2.1917 -2.1466 -2.1466 0.1426 0.1426 0.1628 0.1628 0.4499 0.4499 0.6864 0.6864 0.7091 0.7091 1.1130 1.1130 1.1443 1.1443 1.2544 1.2544 1.3029 1.3029 1.4194 1.4194 1.4530 1.4530 1.4815 1.4815 1.9053 1.9053 1.9291 1.9291 2.5560 2.5560 5.7004 5.7004 5.9707 5.9707 6.0495 6.0495 10.4762 10.4762 10.4835 10.4835 10.8330 10.8330 10.8760 10.8760 k = 0.5000 0.0251 0.5769 ( 8808 PWs) bands (ev): -21.8933 -21.8933 -21.8933 -21.8933 -13.3603 -13.3603 -11.1784 -11.1784 -11.1362 -11.1362 -11.1282 -11.1282 -10.7731 -10.7731 -10.7015 -10.7015 -8.5967 -8.5967 -6.5873 -6.5873 -6.5795 -6.5795 -5.7256 -5.7256 -5.7222 -5.7222 -5.7125 -5.7125 -5.7029 -5.7029 -2.3340 -2.3340 -2.1928 -2.1928 -2.1418 -2.1418 0.1438 0.1438 0.1641 0.1641 0.4537 0.4537 0.6782 0.6782 0.7094 0.7094 1.1130 1.1130 1.1483 1.1483 1.2492 1.2492 1.2960 1.2960 1.4266 1.4266 1.4601 1.4601 1.4883 1.4883 1.9056 1.9056 1.9294 1.9294 2.5532 2.5532 5.6896 5.6896 5.9679 5.9679 6.0594 6.0594 10.4549 10.4549 10.4686 10.4686 10.8296 10.8296 10.8329 10.8329 k = 0.5000 0.0377 0.5591 ( 8814 PWs) bands (ev): -21.8933 -21.8933 -21.8933 -21.8933 -13.3606 -13.3606 -11.1833 -11.1833 -11.1340 -11.1340 -11.1245 -11.1245 -10.7721 -10.7721 -10.7020 -10.7020 -8.5979 -8.5979 -6.5876 -6.5876 -6.5798 -6.5798 -5.7263 -5.7263 -5.7229 -5.7229 -5.7125 -5.7125 -5.7030 -5.7030 -2.3412 -2.3412 -2.1935 -2.1935 -2.1351 -2.1351 0.1455 0.1455 0.1665 0.1665 0.4597 0.4597 0.6653 0.6653 0.7100 0.7100 1.1094 1.1094 1.1568 1.1568 1.2418 1.2418 1.2873 1.2873 1.4375 1.4375 1.4704 1.4704 1.4995 1.4995 1.9062 1.9062 1.9301 1.9301 2.5485 2.5485 5.6720 5.6720 5.9656 5.9656 6.0729 6.0729 10.4204 10.4204 10.4463 10.4463 10.7850 10.7850 10.8229 10.8229 k = 0.5000 0.0502 0.5414 ( 8820 PWs) bands (ev): -21.8933 -21.8933 -21.8933 -21.8933 -13.3609 -13.3609 -11.1891 -11.1891 -11.1316 -11.1316 -11.1199 -11.1199 -10.7706 -10.7706 -10.7027 -10.7027 -8.5995 -8.5995 -6.5880 -6.5880 -6.5803 -6.5803 -5.7273 -5.7273 -5.7238 -5.7238 -5.7125 -5.7125 -5.7032 -5.7032 -2.3508 -2.3508 -2.1932 -2.1932 -2.1273 -2.1273 0.1474 0.1474 0.1702 0.1702 0.4680 0.4680 0.6488 0.6488 0.7111 0.7111 1.1017 1.1017 1.1668 1.1668 1.2332 1.2332 1.2801 1.2801 1.4509 1.4509 1.4828 1.4828 1.5146 1.5146 1.9069 1.9069 1.9310 1.9310 2.5421 2.5421 5.6484 5.6484 5.9654 5.9654 6.0881 6.0881 10.3763 10.3763 10.4172 10.4172 10.7356 10.7356 10.8118 10.8118 k = 0.5000 0.0628 0.5236 ( 8816 PWs) bands (ev): -21.8933 -21.8933 -21.8933 -21.8933 -13.3612 -13.3612 -11.1952 -11.1952 -11.1288 -11.1288 -11.1150 -11.1150 -10.7688 -10.7688 -10.7036 -10.7036 -8.6016 -8.6016 -6.5885 -6.5885 -6.5809 -6.5809 -5.7286 -5.7286 -5.7249 -5.7249 -5.7126 -5.7126 -5.7034 -5.7034 -2.3626 -2.3626 -2.1917 -2.1917 -2.1189 -2.1189 0.1492 0.1492 0.1756 0.1756 0.4780 0.4780 0.6301 0.6301 0.7127 0.7127 1.0910 1.0910 1.1723 1.1723 1.2235 1.2235 1.2801 1.2801 1.4660 1.4660 1.4969 1.4969 1.5329 1.5329 1.9077 1.9077 1.9320 1.9320 2.5340 2.5340 5.6194 5.6194 5.9677 5.9677 6.1039 6.1039 10.3255 10.3255 10.3824 10.3824 10.6859 10.6859 10.7956 10.7956 k = 0.5000 0.0753 0.5059 ( 8818 PWs) bands (ev): -21.8933 -21.8933 -21.8933 -21.8933 -13.3617 -13.3617 -11.2016 -11.2016 -11.1256 -11.1256 -11.1099 -11.1099 -10.7667 -10.7667 -10.7046 -10.7046 -8.6040 -8.6040 -6.5891 -6.5891 -6.5817 -6.5817 -5.7301 -5.7301 -5.7262 -5.7262 -5.7126 -5.7126 -5.7036 -5.7036 -2.3761 -2.3761 -2.1890 -2.1890 -2.1104 -2.1104 0.1506 0.1506 0.1828 0.1828 0.4893 0.4893 0.6106 0.6106 0.7146 0.7146 1.0782 1.0782 1.1696 1.1696 1.2116 1.2116 1.2919 1.2919 1.4822 1.4822 1.5122 1.5122 1.5537 1.5537 1.9087 1.9087 1.9333 1.9333 2.5243 2.5243 5.5860 5.5860 5.9723 5.9723 6.1196 6.1196 10.2700 10.2700 10.3430 10.3430 10.6368 10.6368 10.7738 10.7738 k = 0.5000 0.0879 0.4881 ( 8812 PWs) bands (ev): -21.8933 -21.8933 -21.8933 -21.8933 -13.3622 -13.3622 -11.2080 -11.2080 -11.1219 -11.1219 -11.1048 -11.1048 -10.7643 -10.7643 -10.7059 -10.7059 -8.6068 -8.6068 -6.5897 -6.5897 -6.5825 -6.5825 -5.7318 -5.7318 -5.7277 -5.7277 -5.7127 -5.7127 -5.7038 -5.7038 -2.3908 -2.3908 -2.1851 -2.1851 -2.1019 -2.1019 0.1515 0.1515 0.1916 0.1916 0.5008 0.5008 0.5917 0.5917 0.7170 0.7170 1.0638 1.0638 1.1606 1.1606 1.1971 1.1971 1.3138 1.3138 1.4991 1.4991 1.5285 1.5285 1.5765 1.5765 1.9097 1.9097 1.9347 1.9347 2.5133 2.5133 5.5492 5.5492 5.9790 5.9790 6.1349 6.1349 10.2117 10.2117 10.3002 10.3002 10.5889 10.5889 10.7456 10.7456 k = 0.5000 0.1004 0.4704 ( 8822 PWs) bands (ev): -21.8933 -21.8933 -21.8933 -21.8933 -13.3627 -13.3627 -11.2144 -11.2144 -11.1179 -11.1179 -11.0999 -11.0999 -10.7616 -10.7616 -10.7073 -10.7073 -8.6098 -8.6098 -6.5904 -6.5904 -6.5834 -6.5834 -5.7337 -5.7337 -5.7293 -5.7293 -5.7128 -5.7128 -5.7040 -5.7040 -2.4064 -2.4064 -2.1803 -2.1803 -2.0936 -2.0936 0.1521 0.1521 0.2019 0.2019 0.5103 0.5103 0.5762 0.5762 0.7198 0.7198 1.0483 1.0483 1.1482 1.1482 1.1809 1.1809 1.3416 1.3416 1.5163 1.5163 1.5457 1.5457 1.6008 1.6008 1.9108 1.9108 1.9362 1.9362 2.5009 2.5009 5.5097 5.5097 5.9873 5.9873 6.1494 6.1494 10.1519 10.1519 10.2551 10.2551 10.5427 10.5427 10.7109 10.7109 k = 0.5000 0.1130 0.4526 ( 8824 PWs) bands (ev): -21.8934 -21.8934 -21.8933 -21.8933 -13.3633 -13.3633 -11.2206 -11.2206 -11.1136 -11.1136 -11.0952 -11.0952 -10.7588 -10.7588 -10.7089 -10.7089 -8.6131 -8.6131 -6.5912 -6.5912 -6.5844 -6.5844 -5.7358 -5.7358 -5.7311 -5.7311 -5.7129 -5.7129 -5.7042 -5.7042 -2.4225 -2.4225 -2.1748 -2.1748 -2.0855 -2.0855 0.1522 0.1522 0.2136 0.2136 0.5122 0.5122 0.5697 0.5697 0.7230 0.7230 1.0318 1.0318 1.1341 1.1341 1.1639 1.1639 1.3723 1.3723 1.5335 1.5335 1.5632 1.5632 1.6264 1.6264 1.9118 1.9118 1.9379 1.9379 2.4875 2.4875 5.4682 5.4682 5.9968 5.9968 6.1632 6.1632 10.0917 10.0917 10.2085 10.2085 10.4986 10.4986 10.6703 10.6703 k = 0.5000 0.1255 0.4349 ( 8836 PWs) bands (ev): -21.8934 -21.8934 -21.8934 -21.8934 -13.3639 -13.3639 -11.2266 -11.2266 -11.1090 -11.1090 -11.0907 -11.0907 -10.7558 -10.7558 -10.7106 -10.7106 -8.6165 -8.6165 -6.5920 -6.5920 -6.5855 -6.5855 -5.7379 -5.7379 -5.7329 -5.7329 -5.7130 -5.7130 -5.7044 -5.7044 -2.4388 -2.4388 -2.1688 -2.1688 -2.0778 -2.0778 0.1519 0.1519 0.2265 0.2265 0.5034 0.5034 0.5756 0.5756 0.7266 0.7266 1.0146 1.0146 1.1191 1.1191 1.1466 1.1466 1.4044 1.4044 1.5507 1.5507 1.5809 1.5809 1.6529 1.6529 1.9128 1.9128 1.9395 1.9395 2.4731 2.4731 5.4256 5.4256 6.0071 6.0071 6.1762 6.1762 10.0321 10.0321 10.1614 10.1614 10.4568 10.4568 10.6251 10.6251 k = 0.5000 0.1381 0.4171 ( 8832 PWs) bands (ev): -21.8934 -21.8934 -21.8934 -21.8934 -13.3645 -13.3645 -11.2324 -11.2324 -11.1043 -11.1043 -11.0865 -11.0865 -10.7528 -10.7528 -10.7124 -10.7124 -8.6200 -8.6200 -6.5929 -6.5929 -6.5866 -6.5866 -5.7401 -5.7401 -5.7349 -5.7349 -5.7131 -5.7131 -5.7045 -5.7045 -2.4549 -2.4549 -2.1625 -2.1625 -2.0703 -2.0703 0.1512 0.1512 0.2403 0.2403 0.4891 0.4891 0.5889 0.5889 0.7306 0.7306 0.9969 0.9969 1.1039 1.1039 1.1294 1.1294 1.4369 1.4369 1.5677 1.5677 1.5985 1.5985 1.6799 1.6799 1.9137 1.9137 1.9412 1.9412 2.4581 2.4581 5.3824 5.3824 6.0178 6.0178 6.1884 6.1884 9.9739 9.9739 10.1145 10.1145 10.4176 10.4176 10.5767 10.5767 k = 0.5000 0.1506 0.3994 ( 8834 PWs) bands (ev): -21.8934 -21.8934 -21.8934 -21.8934 -13.3652 -13.3652 -11.2379 -11.2379 -11.0995 -11.0995 -11.0826 -11.0826 -10.7498 -10.7498 -10.7143 -10.7143 -8.6236 -8.6236 -6.5937 -6.5937 -6.5877 -6.5877 -5.7424 -5.7424 -5.7368 -5.7368 -5.7133 -5.7133 -5.7047 -5.7047 -2.4708 -2.4708 -2.1560 -2.1560 -2.0632 -2.0632 0.1501 0.1501 0.2548 0.2548 0.4735 0.4735 0.6050 0.6050 0.7349 0.7349 0.9789 0.9789 1.0887 1.0887 1.1123 1.1123 1.4690 1.4690 1.5844 1.5844 1.6158 1.6158 1.7071 1.7071 1.9146 1.9146 1.9429 1.9429 2.4426 2.4426 5.3393 5.3393 6.0286 6.0286 6.1997 6.1997 9.9179 9.9179 10.0685 10.0685 10.3812 10.3812 10.5268 10.5268 k = 0.5000 0.1632 0.3816 ( 8838 PWs) bands (ev): -21.8934 -21.8934 -21.8934 -21.8934 -13.3658 -13.3658 -11.2430 -11.2430 -11.0947 -11.0947 -11.0789 -11.0789 -10.7467 -10.7467 -10.7162 -10.7162 -8.6271 -8.6271 -6.5945 -6.5945 -6.5889 -6.5889 -5.7445 -5.7445 -5.7388 -5.7388 -5.7134 -5.7134 -5.7048 -5.7048 -2.4860 -2.4860 -2.1496 -2.1496 -2.0565 -2.0565 0.1486 0.1486 0.2697 0.2697 0.4586 0.4586 0.6224 0.6224 0.7395 0.7395 0.9606 0.9606 1.0738 1.0738 1.0958 1.0958 1.5001 1.5001 1.6007 1.6007 1.6325 1.6325 1.7339 1.7339 1.9155 1.9155 1.9445 1.9445 2.4269 2.4269 5.2971 5.2971 6.0392 6.0392 6.2104 6.2104 9.8645 9.8645 10.0242 10.0242 10.3475 10.3475 10.4767 10.4767 k = 0.5000 0.1757 0.3639 ( 8832 PWs) bands (ev): -21.8934 -21.8934 -21.8934 -21.8934 -13.3664 -13.3664 -11.2478 -11.2478 -11.0900 -11.0900 -11.0756 -11.0756 -10.7438 -10.7438 -10.7182 -10.7182 -8.6305 -8.6305 -6.5952 -6.5952 -6.5900 -6.5900 -5.7467 -5.7467 -5.7407 -5.7407 -5.7135 -5.7135 -5.7049 -5.7049 -2.5004 -2.5004 -2.1434 -2.1434 -2.0502 -2.0502 0.1467 0.1467 0.2848 0.2848 0.4449 0.4449 0.6401 0.6401 0.7443 0.7443 0.9422 0.9422 1.0593 1.0593 1.0798 1.0798 1.5297 1.5297 1.6166 1.6166 1.6487 1.6487 1.7599 1.7599 1.9165 1.9165 1.9460 1.9460 2.4111 2.4111 5.2562 5.2562 6.0494 6.0494 6.2202 6.2202 9.8145 9.8145 9.9823 9.9823 10.3169 10.3169 10.4278 10.4278 k = 0.5000 0.1883 0.3461 ( 8832 PWs) bands (ev): -21.8934 -21.8934 -21.8934 -21.8934 -13.3670 -13.3670 -11.2522 -11.2522 -11.0855 -11.0855 -11.0725 -11.0725 -10.7411 -10.7411 -10.7201 -10.7201 -8.6337 -8.6337 -6.5959 -6.5959 -6.5911 -6.5911 -5.7487 -5.7487 -5.7425 -5.7425 -5.7137 -5.7137 -5.7049 -5.7049 -2.5138 -2.5138 -2.1376 -2.1376 -2.0443 -2.0443 0.1446 0.1446 0.2996 0.2996 0.4328 0.4328 0.6579 0.6579 0.7493 0.7493 0.9238 0.9238 1.0455 1.0455 1.0647 1.0647 1.5571 1.5571 1.6318 1.6318 1.6640 1.6640 1.7843 1.7843 1.9177 1.9177 1.9474 1.9474 2.3957 2.3957 5.2174 5.2174 6.0589 6.0589 6.2293 6.2293 9.7684 9.7684 9.9431 9.9431 10.2892 10.2892 10.3813 10.3813 k = 0.5000 0.2008 0.3284 ( 8820 PWs) bands (ev): -21.8934 -21.8934 -21.8934 -21.8934 -13.3675 -13.3675 -11.2561 -11.2561 -11.0814 -11.0814 -11.0697 -11.0697 -10.7385 -10.7385 -10.7220 -10.7220 -8.6368 -8.6368 -6.5966 -6.5966 -6.5922 -6.5922 -5.7505 -5.7505 -5.7442 -5.7442 -5.7138 -5.7138 -5.7050 -5.7050 -2.5260 -2.5260 -2.1322 -2.1322 -2.0388 -2.0388 0.1422 0.1422 0.3138 0.3138 0.4226 0.4226 0.6754 0.6754 0.7542 0.7542 0.9057 0.9057 1.0325 1.0325 1.0506 1.0506 1.5817 1.5817 1.6465 1.6465 1.6786 1.6786 1.8063 1.8063 1.9195 1.9195 1.9488 1.9488 2.3809 2.3809 5.1813 5.1813 6.0675 6.0675 6.2376 6.2376 9.7265 9.7265 9.9073 9.9073 10.2646 10.2646 10.3381 10.3381 k = 0.5000 0.2134 0.3106 ( 8816 PWs) bands (ev): -21.8934 -21.8934 -21.8934 -21.8934 -13.3680 -13.3680 -11.2595 -11.2595 -11.0776 -11.0776 -11.0671 -11.0671 -10.7362 -10.7362 -10.7237 -10.7237 -8.6395 -8.6395 -6.5971 -6.5971 -6.5932 -6.5932 -5.7522 -5.7522 -5.7458 -5.7458 -5.7139 -5.7139 -5.7051 -5.7051 -2.5369 -2.5369 -2.1274 -2.1274 -2.0339 -2.0339 0.1398 0.1398 0.3267 0.3267 0.4145 0.4145 0.6925 0.6925 0.7591 0.7591 0.8878 0.8878 1.0205 1.0205 1.0377 1.0377 1.6031 1.6031 1.6603 1.6603 1.6922 1.6922 1.8253 1.8253 1.9221 1.9221 1.9500 1.9500 2.3670 2.3670 5.1485 5.1485 6.0751 6.0751 6.2451 6.2451 9.6894 9.6894 9.8754 9.8754 10.2432 10.2432 10.2991 10.2991 k = 0.5000 0.2259 0.2929 ( 8816 PWs) bands (ev): -21.8934 -21.8934 -21.8934 -21.8934 -13.3684 -13.3684 -11.2624 -11.2624 -11.0744 -11.0744 -11.0648 -11.0648 -10.7341 -10.7341 -10.7253 -10.7253 -8.6419 -8.6419 -6.5976 -6.5976 -6.5941 -6.5941 -5.7537 -5.7537 -5.7472 -5.7472 -5.7140 -5.7140 -5.7051 -5.7051 -2.5463 -2.5463 -2.1233 -2.1233 -2.0296 -2.0296 0.1374 0.1374 0.3378 0.3378 0.4088 0.4088 0.7091 0.7091 0.7637 0.7637 0.8703 0.8703 1.0098 1.0098 1.0263 1.0263 1.6209 1.6209 1.6730 1.6730 1.7049 1.7049 1.8404 1.8404 1.9258 1.9258 1.9511 1.9511 2.3544 2.3544 5.1196 5.1196 6.0816 6.0816 6.2516 6.2516 9.6574 9.6574 9.8476 9.8476 10.2249 10.2249 10.2650 10.2650 k = 0.5000 0.2385 0.2751 ( 8820 PWs) bands (ev): -21.8934 -21.8934 -21.8934 -21.8934 -13.3688 -13.3688 -11.2649 -11.2649 -11.0718 -11.0718 -11.0628 -11.0628 -10.7324 -10.7324 -10.7266 -10.7266 -8.6440 -8.6440 -6.5980 -6.5980 -6.5948 -6.5948 -5.7549 -5.7549 -5.7483 -5.7483 -5.7141 -5.7141 -5.7051 -5.7051 -2.5542 -2.5542 -2.1198 -2.1198 -2.0259 -2.0259 0.1351 0.1351 0.3465 0.3465 0.4054 0.4054 0.7250 0.7250 0.7679 0.7679 0.8535 0.8535 1.0004 1.0004 1.0165 1.0165 1.6350 1.6350 1.6841 1.6841 1.7164 1.7164 1.8513 1.8513 1.9306 1.9306 1.9521 1.9521 2.3434 2.3434 5.0952 5.0952 6.0869 6.0869 6.2571 6.2571 9.6308 9.6308 9.8245 9.8245 10.2099 10.2099 10.2364 10.2364 k = 0.5000 0.2510 0.2574 ( 8824 PWs) bands (ev): -21.8934 -21.8934 -21.8934 -21.8934 -13.3691 -13.3691 -11.2668 -11.2668 -11.0698 -11.0698 -11.0611 -11.0611 -10.7311 -10.7311 -10.7277 -10.7277 -8.6456 -8.6456 -6.5982 -6.5982 -6.5955 -6.5955 -5.7559 -5.7559 -5.7493 -5.7493 -5.7142 -5.7142 -5.7052 -5.7052 -2.5604 -2.5604 -2.1171 -2.1171 -2.0230 -2.0230 0.1333 0.1333 0.3523 0.3523 0.4044 0.4044 0.7400 0.7400 0.7717 0.7717 0.8373 0.8373 0.9928 0.9928 1.0086 1.0086 1.6456 1.6456 1.6933 1.6933 1.7263 1.7263 1.8584 1.8584 1.9357 1.9357 1.9531 1.9531 2.3344 2.3344 5.0756 5.0756 6.0911 6.0911 6.2615 6.2615 9.6098 9.6098 9.8061 9.8061 10.1980 10.1980 10.2139 10.2139 k = 0.5000 0.2636 0.2396 ( 8814 PWs) bands (ev): -21.8934 -21.8934 -21.8934 -21.8934 -13.3693 -13.3693 -11.2682 -11.2682 -11.0684 -11.0684 -11.0598 -11.0598 -10.7301 -10.7301 -10.7285 -10.7285 -8.6468 -8.6468 -6.5984 -6.5984 -6.5960 -6.5960 -5.7566 -5.7566 -5.7499 -5.7499 -5.7142 -5.7142 -5.7052 -5.7052 -2.5649 -2.5649 -2.1152 -2.1152 -2.0208 -2.0208 0.1318 0.1318 0.3557 0.3557 0.4049 0.4049 0.7538 0.7538 0.7752 0.7752 0.8221 0.8221 0.9871 0.9871 1.0028 1.0028 1.6529 1.6529 1.7000 1.7000 1.7340 1.7340 1.8625 1.8625 1.9401 1.9401 1.9541 1.9541 2.3277 2.3277 5.0613 5.0613 6.0941 6.0941 6.2647 6.2647 9.5947 9.5947 9.7929 9.7929 10.1891 10.1891 10.1979 10.1979 k = 0.5000 0.2761 0.2219 ( 8818 PWs) bands (ev): -21.8934 -21.8934 -21.8934 -21.8934 -13.3694 -13.3694 -11.2690 -11.2690 -11.0676 -11.0676 -11.0590 -11.0590 -10.7296 -10.7296 -10.7290 -10.7290 -8.6475 -8.6475 -6.5985 -6.5985 -6.5963 -6.5963 -5.7571 -5.7571 -5.7504 -5.7504 -5.7143 -5.7143 -5.7052 -5.7052 -2.5676 -2.5676 -2.1140 -2.1140 -2.0195 -2.0195 0.1309 0.1309 0.3572 0.3572 0.4058 0.4058 0.7643 0.7643 0.7795 0.7795 0.8085 0.8085 0.9835 0.9835 0.9993 0.9993 1.6572 1.6572 1.7040 1.7040 1.7390 1.7390 1.8646 1.8646 1.9428 1.9428 1.9550 1.9550 2.3236 2.3236 5.0526 5.0526 6.0959 6.0959 6.2667 6.2667 9.5855 9.5855 9.7849 9.7849 10.1830 10.1830 10.1889 10.1889 k = 0.5000 0.2887 0.2041 ( 8802 PWs) bands (ev): -21.8934 -21.8934 -21.8934 -21.8934 -13.3695 -13.3695 -11.2693 -11.2693 -11.0673 -11.0673 -11.0588 -11.0588 -10.7295 -10.7295 -10.7290 -10.7290 -8.6478 -8.6478 -6.5985 -6.5985 -6.5964 -6.5964 -5.7572 -5.7572 -5.7505 -5.7505 -5.7143 -5.7143 -5.7052 -5.7052 -2.5685 -2.5685 -2.1136 -2.1136 -2.0190 -2.0190 0.1306 0.1306 0.3576 0.3576 0.4063 0.4063 0.7681 0.7681 0.7839 0.7839 0.8008 0.8008 0.9823 0.9823 0.9981 0.9981 1.6586 1.6586 1.7054 1.7054 1.7407 1.7407 1.8652 1.8652 1.9438 1.9438 1.9554 1.9554 2.3222 2.3222 5.0497 5.0497 6.0965 6.0965 6.2673 6.2673 9.5825 9.5825 9.7822 9.7822 10.1806 10.1806 10.1863 10.1863 k = 0.5000 0.2887 0.2041 ( 8802 PWs) bands (ev): -21.8934 -21.8934 -21.8934 -21.8934 -13.3695 -13.3695 -11.2693 -11.2693 -11.0673 -11.0673 -11.0588 -11.0588 -10.7295 -10.7295 -10.7290 -10.7290 -8.6478 -8.6478 -6.5985 -6.5985 -6.5964 -6.5964 -5.7572 -5.7572 -5.7505 -5.7505 -5.7143 -5.7143 -5.7052 -5.7052 -2.5685 -2.5685 -2.1136 -2.1136 -2.0190 -2.0190 0.1306 0.1306 0.3576 0.3576 0.4063 0.4063 0.7681 0.7681 0.7839 0.7839 0.8008 0.8008 0.9823 0.9823 0.9981 0.9981 1.6586 1.6586 1.7054 1.7054 1.7407 1.7407 1.8652 1.8652 1.9438 1.9438 1.9554 1.9554 2.3222 2.3222 5.0497 5.0497 6.0965 6.0965 6.2673 6.2673 9.5825 9.5825 9.7822 9.7822 10.1806 10.1806 10.1863 10.1863 k = 0.4938 0.2851 0.2245 ( 8818 PWs) bands (ev): -21.8934 -21.8934 -21.8934 -21.8934 -13.3694 -13.3694 -11.2690 -11.2690 -11.0675 -11.0675 -11.0590 -11.0590 -10.7296 -10.7296 -10.7290 -10.7290 -8.6475 -8.6475 -6.5985 -6.5985 -6.5963 -6.5963 -5.7571 -5.7571 -5.7504 -5.7504 -5.7143 -5.7143 -5.7052 -5.7052 -2.5676 -2.5676 -2.1140 -2.1140 -2.0195 -2.0195 0.1309 0.1309 0.3572 0.3572 0.4058 0.4058 0.7644 0.7644 0.7796 0.7796 0.8084 0.8084 0.9835 0.9835 0.9992 0.9992 1.6572 1.6572 1.7041 1.7041 1.7390 1.7390 1.8646 1.8646 1.9428 1.9428 1.9550 1.9550 2.3236 2.3236 5.0526 5.0526 6.0959 6.0959 6.2667 6.2667 9.5855 9.5855 9.7849 9.7849 10.1830 10.1830 10.1889 10.1889 k = 0.4875 0.2815 0.2449 ( 8810 PWs) bands (ev): -21.8934 -21.8934 -21.8934 -21.8934 -13.3693 -13.3693 -11.2682 -11.2682 -11.0684 -11.0684 -11.0598 -11.0598 -10.7301 -10.7301 -10.7285 -10.7285 -8.6468 -8.6468 -6.5984 -6.5984 -6.5960 -6.5960 -5.7566 -5.7566 -5.7500 -5.7500 -5.7142 -5.7142 -5.7052 -5.7052 -2.5649 -2.5649 -2.1152 -2.1152 -2.0208 -2.0208 0.1318 0.1318 0.3557 0.3557 0.4049 0.4049 0.7539 0.7539 0.7753 0.7753 0.8220 0.8220 0.9870 0.9870 1.0028 1.0028 1.6529 1.6529 1.7000 1.7000 1.7341 1.7341 1.8626 1.8626 1.9400 1.9400 1.9542 1.9542 2.3277 2.3277 5.0612 5.0612 6.0941 6.0941 6.2647 6.2647 9.5946 9.5946 9.7928 9.7928 10.1890 10.1890 10.1978 10.1978 k = 0.4813 0.2778 0.2654 ( 8818 PWs) bands (ev): -21.8934 -21.8934 -21.8934 -21.8934 -13.3691 -13.3691 -11.2668 -11.2668 -11.0698 -11.0698 -11.0611 -11.0611 -10.7311 -10.7311 -10.7277 -10.7277 -8.6456 -8.6456 -6.5982 -6.5982 -6.5955 -6.5955 -5.7559 -5.7559 -5.7493 -5.7493 -5.7142 -5.7142 -5.7052 -5.7052 -2.5605 -2.5605 -2.1171 -2.1171 -2.0229 -2.0229 0.1332 0.1332 0.3524 0.3524 0.4043 0.4043 0.7401 0.7401 0.7719 0.7719 0.8371 0.8371 0.9927 0.9927 1.0085 1.0085 1.6457 1.6457 1.6933 1.6933 1.7264 1.7264 1.8586 1.8586 1.9352 1.9352 1.9536 1.9536 2.3343 2.3343 5.0754 5.0754 6.0911 6.0911 6.2616 6.2616 9.6096 9.6096 9.8059 9.8059 10.1977 10.1977 10.2137 10.2137 k = 0.4750 0.2742 0.2858 ( 8822 PWs) bands (ev): -21.8934 -21.8934 -21.8934 -21.8934 -13.3688 -13.3688 -11.2649 -11.2649 -11.0718 -11.0718 -11.0628 -11.0628 -10.7325 -10.7325 -10.7266 -10.7266 -8.6440 -8.6440 -6.5980 -6.5980 -6.5949 -6.5949 -5.7549 -5.7549 -5.7484 -5.7484 -5.7141 -5.7141 -5.7051 -5.7051 -2.5543 -2.5543 -2.1198 -2.1198 -2.0258 -2.0258 0.1351 0.1351 0.3468 0.3468 0.4052 0.4052 0.7248 0.7248 0.7686 0.7686 0.8530 0.8530 1.0003 1.0003 1.0163 1.0163 1.6352 1.6352 1.6840 1.6840 1.7168 1.7168 1.8519 1.8519 1.9286 1.9286 1.9538 1.9538 2.3433 2.3433 5.0948 5.0948 6.0870 6.0870 6.2572 6.2572 9.6304 9.6304 9.8241 9.8241 10.2092 10.2092 10.2364 10.2364 k = 0.4688 0.2706 0.3062 ( 8820 PWs) bands (ev): -21.8934 -21.8934 -21.8934 -21.8934 -13.3684 -13.3684 -11.2625 -11.2625 -11.0744 -11.0744 -11.0647 -11.0647 -10.7343 -10.7343 -10.7251 -10.7251 -8.6420 -8.6420 -6.5976 -6.5976 -6.5941 -6.5941 -5.7537 -5.7537 -5.7472 -5.7472 -5.7140 -5.7140 -5.7051 -5.7051 -2.5465 -2.5465 -2.1232 -2.1232 -2.0295 -2.0295 0.1371 0.1371 0.3387 0.3387 0.4081 0.4081 0.7084 0.7084 0.7651 0.7651 0.8696 0.8696 1.0096 1.0096 1.0260 1.0260 1.6214 1.6214 1.6723 1.6723 1.7060 1.7060 1.8421 1.8421 1.9204 1.9204 1.9552 1.9552 2.3542 2.3542 5.1191 5.1191 6.0817 6.0817 6.2517 6.2517 9.6568 9.6568 9.8471 9.8471 10.2236 10.2236 10.2654 10.2654 k = 0.4625 0.2670 0.3266 ( 8812 PWs) bands (ev): -21.8934 -21.8934 -21.8934 -21.8934 -13.3680 -13.3680 -11.2596 -11.2596 -11.0777 -11.0777 -11.0669 -11.0669 -10.7365 -10.7365 -10.7234 -10.7234 -8.6396 -8.6396 -6.5972 -6.5972 -6.5932 -6.5932 -5.7523 -5.7523 -5.7458 -5.7458 -5.7139 -5.7139 -5.7051 -5.7051 -2.5371 -2.5371 -2.1273 -2.1273 -2.0338 -2.0338 0.1392 0.1392 0.3287 0.3287 0.4132 0.4132 0.6910 0.6910 0.7617 0.7617 0.8867 0.8867 1.0205 1.0205 1.0372 1.0372 1.6040 1.6040 1.6582 1.6582 1.6947 1.6947 1.8289 1.8289 1.9108 1.9108 1.9582 1.9582 2.3667 2.3667 5.1477 5.1477 6.0752 6.0752 6.2453 6.2453 9.6885 9.6885 9.8746 9.8746 10.2407 10.2407 10.3003 10.3003 k = 0.4562 0.2634 0.3470 ( 8812 PWs) bands (ev): -21.8934 -21.8934 -21.8934 -21.8934 -13.3675 -13.3675 -11.2562 -11.2562 -11.0815 -11.0815 -11.0693 -11.0693 -10.7391 -10.7391 -10.7214 -10.7214 -8.6369 -8.6369 -6.5966 -6.5966 -6.5922 -6.5922 -5.7506 -5.7506 -5.7443 -5.7443 -5.7138 -5.7138 -5.7050 -5.7050 -2.5264 -2.5264 -2.1321 -2.1321 -2.0386 -2.0386 0.1408 0.1408 0.3178 0.3178 0.4200 0.4200 0.6726 0.6726 0.7587 0.7587 0.9042 0.9042 1.0326 1.0326 1.0498 1.0498 1.5831 1.5831 1.6420 1.6420 1.6834 1.6834 1.8127 1.8127 1.9000 1.9000 1.9626 1.9626 2.3804 2.3804 5.1802 5.1802 6.0676 6.0676 6.2380 6.2380 9.7252 9.7252 9.9062 9.9062 10.2603 10.2603 10.3407 10.3407 k = 0.4500 0.2598 0.3674 ( 8807 PWs) bands (ev): -21.8934 -21.8934 -21.8933 -21.8933 -13.3670 -13.3670 -11.2523 -11.2523 -11.0859 -11.0859 -11.0718 -11.0718 -10.7421 -10.7421 -10.7192 -10.7192 -8.6338 -8.6338 -6.5960 -6.5960 -6.5912 -6.5912 -5.7488 -5.7488 -5.7426 -5.7426 -5.7137 -5.7137 -5.7049 -5.7049 -2.5143 -2.5143 -2.1374 -2.1374 -2.0439 -2.0439 0.1416 0.1416 0.3071 0.3071 0.4284 0.4284 0.6531 0.6531 0.7561 0.7561 0.9220 0.9220 1.0457 1.0457 1.0635 1.0635 1.5590 1.5590 1.6238 1.6238 1.6723 1.6723 1.7940 1.7940 1.8880 1.8880 1.9682 1.9682 2.3950 2.3950 5.2158 5.2158 6.0591 6.0591 6.2300 6.2300 9.7664 9.7664 9.9414 9.9414 10.2822 10.2822 10.3863 10.3863 k = 0.4437 0.2562 0.3878 ( 8805 PWs) bands (ev): -21.8934 -21.8934 -21.8933 -21.8933 -13.3664 -13.3664 -11.2480 -11.2480 -11.0906 -11.0906 -11.0744 -11.0744 -10.7455 -10.7455 -10.7167 -10.7167 -8.6306 -8.6306 -6.5953 -6.5953 -6.5901 -6.5901 -5.7468 -5.7468 -5.7408 -5.7408 -5.7136 -5.7136 -5.7048 -5.7048 -2.5011 -2.5011 -2.1432 -2.1432 -2.0496 -2.0496 0.1407 0.1407 0.2976 0.2976 0.4381 0.4381 0.6328 0.6328 0.7544 0.7544 0.9399 0.9399 1.0597 1.0597 1.0781 1.0781 1.5323 1.5323 1.6041 1.6041 1.6614 1.6614 1.7736 1.7736 1.8750 1.8750 1.9749 1.9749 2.4102 2.4102 5.2540 5.2540 6.0496 6.0496 6.2213 6.2213 9.8116 9.8116 9.9799 9.9799 10.3062 10.3062 10.4362 10.4362 k = 0.4375 0.2526 0.4082 ( 8808 PWs) bands (ev): -21.8934 -21.8934 -21.8933 -21.8933 -13.3658 -13.3658 -11.2433 -11.2433 -11.0956 -11.0956 -11.0772 -11.0772 -10.7492 -10.7492 -10.7141 -10.7141 -8.6272 -8.6272 -6.5946 -6.5946 -6.5889 -6.5889 -5.7447 -5.7447 -5.7389 -5.7389 -5.7135 -5.7135 -5.7047 -5.7047 -2.4870 -2.4870 -2.1494 -2.1494 -2.0556 -2.0556 0.1377 0.1377 0.2904 0.2904 0.4487 0.4487 0.6117 0.6117 0.7536 0.7536 0.9580 0.9580 1.0744 1.0744 1.0934 1.0934 1.5032 1.5032 1.5830 1.5830 1.6508 1.6508 1.7520 1.7520 1.8610 1.8610 1.9823 1.9823 2.4256 2.4256 5.2939 5.2939 6.0395 6.0395 6.2121 6.2121 9.8601 9.8601 10.0210 10.0210 10.3319 10.3319 10.4898 10.4898 k = 0.4313 0.2490 0.4287 ( 8810 PWs) bands (ev): -21.8934 -21.8934 -21.8933 -21.8933 -13.3652 -13.3652 -11.2383 -11.2383 -11.1009 -11.1009 -11.0800 -11.0800 -10.7533 -10.7533 -10.7113 -10.7113 -8.6238 -8.6238 -6.5938 -6.5938 -6.5878 -6.5878 -5.7426 -5.7426 -5.7370 -5.7370 -5.7133 -5.7133 -5.7044 -5.7044 -2.4722 -2.4722 -2.1557 -2.1557 -2.0618 -2.0618 0.1319 0.1319 0.2865 0.2865 0.4600 0.4600 0.5901 0.5901 0.7539 0.7539 0.9762 0.9762 1.0893 1.0893 1.1093 1.1093 1.4724 1.4724 1.5609 1.5609 1.6403 1.6403 1.7300 1.7300 1.8462 1.8462 1.9903 1.9903 2.4409 2.4409 5.3349 5.3349 6.0289 6.0289 6.2025 6.2025 9.9110 9.9110 10.0641 10.0641 10.3591 10.3591 10.5458 10.5458 k = 0.4250 0.2454 0.4491 ( 8807 PWs) bands (ev): -21.8935 -21.8935 -21.8933 -21.8933 -13.3646 -13.3646 -11.2330 -11.2330 -11.1061 -11.1061 -11.0830 -11.0830 -10.7577 -10.7577 -10.7083 -10.7083 -8.6202 -8.6202 -6.5931 -6.5931 -6.5866 -6.5866 -5.7405 -5.7405 -5.7351 -5.7351 -5.7132 -5.7132 -5.7042 -5.7042 -2.4571 -2.4571 -2.1621 -2.1621 -2.0682 -2.0682 0.1233 0.1233 0.2861 0.2861 0.4714 0.4714 0.5686 0.5686 0.7554 0.7554 0.9943 0.9943 1.1043 1.1043 1.1255 1.1255 1.4404 1.4404 1.5381 1.5381 1.6300 1.6300 1.7079 1.7079 1.8306 1.8306 1.9989 1.9989 2.4559 2.4559 5.3761 5.3761 6.0182 6.0182 6.1925 6.1925 9.9632 9.9632 10.1088 10.1088 10.3876 10.3876 10.6029 10.6029 k = 0.4188 0.2418 0.4695 ( 8815 PWs) bands (ev): -21.8935 -21.8935 -21.8932 -21.8932 -13.3640 -13.3640 -11.2275 -11.2275 -11.1113 -11.1113 -11.0860 -11.0860 -10.7624 -10.7624 -10.7053 -10.7053 -8.6168 -8.6168 -6.5923 -6.5923 -6.5854 -6.5854 -5.7385 -5.7385 -5.7332 -5.7332 -5.7131 -5.7131 -5.7038 -5.7038 -2.4418 -2.4418 -2.1682 -2.1682 -2.0747 -2.0747 0.1122 0.1122 0.2891 0.2891 0.4814 0.4814 0.5486 0.5486 0.7584 0.7584 1.0125 1.0125 1.1190 1.1190 1.1418 1.1418 1.4077 1.4077 1.5149 1.5149 1.6198 1.6198 1.6864 1.6864 1.8144 1.8144 2.0078 2.0078 2.4703 2.4703 5.4166 5.4166 6.0078 6.0078 6.1821 6.1821 10.0152 10.0152 10.1546 10.1546 10.4171 10.4171 10.6589 10.6589 k = 0.4125 0.2382 0.4899 ( 8821 PWs) bands (ev): -21.8935 -21.8935 -21.8932 -21.8932 -13.3634 -13.3634 -11.2218 -11.2218 -11.1163 -11.1163 -11.0890 -11.0890 -10.7673 -10.7673 -10.7022 -10.7022 -8.6134 -8.6134 -6.5916 -6.5916 -6.5843 -6.5843 -5.7367 -5.7367 -5.7314 -5.7314 -5.7130 -5.7130 -5.7034 -5.7034 -2.4268 -2.4268 -2.1739 -2.1739 -2.0812 -2.0812 0.0992 0.0992 0.2950 0.2950 0.4859 0.4859 0.5343 0.5343 0.7628 0.7628 1.0306 1.0306 1.1330 1.1330 1.1580 1.1580 1.3750 1.3750 1.4918 1.4918 1.6096 1.6096 1.6660 1.6660 1.7977 1.7977 2.0170 2.0170 2.4839 2.4839 5.4557 5.4557 5.9981 5.9981 6.1716 6.1716 10.0648 10.0648 10.2014 10.2014 10.4474 10.4474 10.7115 10.7115 k = 0.4062 0.2345 0.5103 ( 8819 PWs) bands (ev): -21.8935 -21.8935 -21.8931 -21.8931 -13.3628 -13.3628 -11.2160 -11.2160 -11.1210 -11.1210 -11.0921 -11.0921 -10.7724 -10.7724 -10.6990 -10.6990 -8.6103 -8.6103 -6.5910 -6.5910 -6.5833 -6.5833 -5.7351 -5.7351 -5.7297 -5.7297 -5.7129 -5.7129 -5.7028 -5.7028 -2.4125 -2.4125 -2.1789 -2.1789 -2.0876 -2.0876 0.0851 0.0851 0.3034 0.3034 0.4779 0.4779 0.5327 0.5327 0.7689 0.7689 1.0487 1.0487 1.1459 1.1459 1.1732 1.1732 1.3432 1.3432 1.4692 1.4692 1.5996 1.5996 1.6470 1.6470 1.7808 1.7808 2.0265 2.0265 2.4963 2.4963 5.4924 5.4924 5.9896 5.9896 6.1610 6.1610 10.1098 10.1098 10.2490 10.2490 10.4784 10.4784 10.7575 10.7575 k = 0.4000 0.2309 0.5307 ( 8813 PWs) bands (ev): -21.8936 -21.8936 -21.8931 -21.8931 -13.3623 -13.3623 -11.2104 -11.2104 -11.1252 -11.1252 -11.0951 -11.0951 -10.7776 -10.7776 -10.6958 -10.6958 -8.6073 -8.6073 -6.5905 -6.5905 -6.5822 -6.5822 -5.7338 -5.7338 -5.7282 -5.7282 -5.7128 -5.7128 -5.7021 -5.7021 -2.3993 -2.3993 -2.1829 -2.1829 -2.0939 -2.0939 0.0704 0.0704 0.3135 0.3135 0.4608 0.4608 0.5408 0.5408 0.7768 0.7768 1.0665 1.0665 1.1571 1.1571 1.1859 1.1859 1.3145 1.3145 1.4479 1.4479 1.5895 1.5895 1.6297 1.6297 1.7638 1.7638 2.0362 2.0362 2.5075 2.5075 5.5258 5.5258 5.9827 5.9827 6.1503 6.1503 10.1477 10.1477 10.2972 10.2972 10.5099 10.5099 10.7944 10.7944 k = 0.3937 0.2273 0.5511 ( 8809 PWs) bands (ev): -21.8936 -21.8936 -21.8931 -21.8931 -13.3619 -13.3619 -11.2050 -11.2050 -11.1287 -11.1287 -11.0981 -11.0981 -10.7828 -10.7828 -10.6926 -10.6926 -8.6047 -8.6047 -6.5901 -6.5901 -6.5813 -6.5813 -5.7329 -5.7329 -5.7267 -5.7267 -5.7127 -5.7127 -5.7014 -5.7014 -2.3876 -2.3876 -2.1857 -2.1857 -2.1000 -2.1000 0.0556 0.0556 0.3247 0.3247 0.4415 0.4415 0.5517 0.5517 0.7865 0.7865 1.0840 1.0840 1.1653 1.1653 1.1928 1.1928 1.2929 1.2929 1.4285 1.4285 1.5796 1.5796 1.6146 1.6146 1.7470 1.7470 2.0460 2.0460 2.5172 2.5172 5.5550 5.5550 5.9780 5.9780 6.1398 6.1398 10.1767 10.1767 10.3447 10.3447 10.5420 10.5420 10.8203 10.8203 k = 0.3875 0.2237 0.5715 ( 8809 PWs) bands (ev): -21.8937 -21.8937 -21.8930 -21.8930 -13.3615 -13.3615 -11.2000 -11.2000 -11.1314 -11.1314 -11.1010 -11.1010 -10.7881 -10.7881 -10.6894 -10.6894 -8.6025 -8.6025 -6.5899 -6.5899 -6.5804 -6.5804 -5.7325 -5.7325 -5.7255 -5.7255 -5.7126 -5.7126 -5.7006 -5.7006 -2.3777 -2.3777 -2.1874 -2.1874 -2.1056 -2.1056 0.0412 0.0412 0.3360 0.3360 0.4232 0.4232 0.5630 0.5630 0.7981 0.7981 1.1010 1.1010 1.1670 1.1670 1.1914 1.1914 1.2844 1.2844 1.4119 1.4119 1.5699 1.5699 1.6015 1.6015 1.7304 1.7304 2.0560 2.0560 2.5251 2.5251 5.5794 5.5794 5.9756 5.9756 6.1296 6.1296 10.1955 10.1955 10.3894 10.3894 10.5749 10.5749 10.8345 10.8345 k = 0.3812 0.2201 0.5920 ( 8811 PWs) bands (ev): -21.8937 -21.8937 -21.8929 -21.8929 -13.3612 -13.3612 -11.1955 -11.1955 -11.1331 -11.1331 -11.1039 -11.1039 -10.7932 -10.7932 -10.6862 -10.6862 -8.6007 -8.6007 -6.5898 -6.5898 -6.5797 -6.5797 -5.7324 -5.7324 -5.7244 -5.7244 -5.7125 -5.7125 -5.6997 -5.6997 -2.3698 -2.3698 -2.1879 -2.1879 -2.1105 -2.1105 0.0274 0.0274 0.3455 0.3455 0.4088 0.4088 0.5737 0.5737 0.8117 0.8117 1.1170 1.1170 1.1542 1.1542 1.1892 1.1892 1.2894 1.2894 1.3987 1.3987 1.5608 1.5608 1.5905 1.5905 1.7144 1.7144 2.0659 2.0659 2.5312 2.5312 5.5986 5.5986 5.9752 5.9752 6.1202 6.1202 10.2035 10.2035 10.4285 10.4285 10.6087 10.6087 10.8377 10.8377 k = 0.3750 0.2165 0.6124 ( 8834 PWs) bands (ev): -21.8938 -21.8938 -21.8929 -21.8929 -13.3611 -13.3611 -11.1919 -11.1919 -11.1336 -11.1336 -11.1066 -11.1066 -10.7982 -10.7982 -10.6831 -10.6831 -8.5995 -8.5995 -6.5899 -6.5899 -6.5790 -6.5790 -5.7327 -5.7327 -5.7235 -5.7235 -5.7125 -5.7125 -5.6989 -5.6989 -2.3640 -2.3640 -2.1878 -2.1878 -2.1146 -2.1146 0.0144 0.0144 0.3488 0.3488 0.4029 0.4029 0.5830 0.5830 0.8273 0.8273 1.1243 1.1243 1.1378 1.1378 1.1887 1.1887 1.3019 1.3019 1.3897 1.3897 1.5527 1.5527 1.5813 1.5813 1.6991 1.6991 2.0760 2.0760 2.5352 2.5352 5.6128 5.6128 5.9762 5.9762 6.1120 6.1120 10.2005 10.2005 10.4596 10.4596 10.6430 10.6430 10.8309 10.8309 k = 0.6250-0.0722 0.4082 ( 8834 PWs) bands (ev): -21.8938 -21.8938 -21.8929 -21.8929 -13.3611 -13.3611 -11.1919 -11.1919 -11.1336 -11.1336 -11.1066 -11.1066 -10.7982 -10.7982 -10.6831 -10.6831 -8.5995 -8.5995 -6.5899 -6.5899 -6.5790 -6.5790 -5.7327 -5.7327 -5.7235 -5.7235 -5.7125 -5.7125 -5.6989 -5.6989 -2.3640 -2.3640 -2.1878 -2.1878 -2.1146 -2.1146 0.0144 0.0144 0.3488 0.3488 0.4029 0.4029 0.5830 0.5830 0.8273 0.8273 1.1243 1.1243 1.1378 1.1378 1.1887 1.1887 1.3019 1.3019 1.3897 1.3897 1.5527 1.5527 1.5813 1.5813 1.6991 1.6991 2.0760 2.0760 2.5352 2.5352 5.6128 5.6128 5.9762 5.9762 6.1120 6.1120 10.2005 10.2005 10.4597 10.4597 10.6430 10.6430 10.8309 10.8309 k = 0.6146-0.0902 0.4082 ( 8826 PWs) bands (ev): -21.8939 -21.8939 -21.8928 -21.8928 -13.3609 -13.3609 -11.1863 -11.1863 -11.1336 -11.1336 -11.1110 -11.1110 -10.8062 -10.8062 -10.6781 -10.6781 -8.5979 -8.5979 -6.5903 -6.5903 -6.5780 -6.5780 -5.7337 -5.7337 -5.7222 -5.7222 -5.7125 -5.7125 -5.6974 -5.6974 -2.3561 -2.3561 -2.1879 -2.1879 -2.1197 -2.1197 -0.0058 -0.0058 0.3365 0.3365 0.4143 0.4143 0.5972 0.5972 0.8553 0.8553 1.0990 1.0990 1.1419 1.1419 1.1882 1.1882 1.3259 1.3259 1.3782 1.3782 1.5406 1.5406 1.5679 1.5679 1.6747 1.6747 2.0925 2.0925 2.5395 2.5395 5.6318 5.6318 5.9771 5.9771 6.1007 6.1007 10.1853 10.1853 10.4959 10.4959 10.7042 10.7042 10.8124 10.8124 k = 0.6042-0.1083 0.4082 ( 8822 PWs) bands (ev): -21.8940 -21.8940 -21.8927 -21.8927 -13.3607 -13.3607 -11.1805 -11.1805 -11.1336 -11.1336 -11.1150 -11.1150 -10.8142 -10.8142 -10.6732 -10.6732 -8.5966 -8.5966 -6.5907 -6.5907 -6.5771 -6.5771 -5.7348 -5.7348 -5.7213 -5.7213 -5.7125 -5.7125 -5.6960 -5.6960 -2.3489 -2.3489 -2.1892 -2.1892 -2.1230 -2.1230 -0.0247 -0.0247 0.3150 0.3150 0.4371 0.4371 0.6108 0.6108 0.8841 0.8841 1.0725 1.0725 1.1464 1.1464 1.1889 1.1889 1.3478 1.3478 1.3672 1.3672 1.5291 1.5291 1.5558 1.5558 1.6507 1.6507 2.1087 2.1087 2.5426 2.5426 5.6492 5.6492 5.9755 5.9755 6.0923 6.0923 10.1683 10.1683 10.5181 10.5181 10.7713 10.7713 10.7949 10.7949 k = 0.5938-0.1263 0.4082 ( 8814 PWs) bands (ev): -21.8940 -21.8940 -21.8926 -21.8926 -13.3606 -13.3606 -11.1747 -11.1747 -11.1336 -11.1336 -11.1188 -11.1188 -10.8220 -10.8220 -10.6686 -10.6686 -8.5955 -8.5955 -6.5912 -6.5912 -6.5763 -6.5763 -5.7359 -5.7359 -5.7205 -5.7205 -5.7125 -5.7125 -5.6947 -5.6947 -2.3425 -2.3425 -2.1916 -2.1916 -2.1246 -2.1246 -0.0421 -0.0421 0.2927 0.2927 0.4632 0.4632 0.6236 0.6236 0.9135 0.9135 1.0453 1.0453 1.1508 1.1508 1.1908 1.1908 1.3488 1.3488 1.3749 1.3749 1.5183 1.5183 1.5450 1.5450 1.6274 1.6274 2.1242 2.1242 2.5447 2.5447 5.6647 5.6647 5.9718 5.9718 6.0869 6.0869 10.1504 10.1504 10.5293 10.5293 10.7788 10.7788 10.8012 10.8012 k = 0.5833-0.1443 0.4082 ( 8828 PWs) bands (ev): -21.8941 -21.8941 -21.8925 -21.8925 -13.3606 -13.3606 -11.1688 -11.1688 -11.1337 -11.1337 -11.1222 -11.1222 -10.8295 -10.8295 -10.6643 -10.6643 -8.5947 -8.5947 -6.5916 -6.5916 -6.5756 -6.5756 -5.7370 -5.7370 -5.7199 -5.7199 -5.7125 -5.7125 -5.6934 -5.6934 -2.3370 -2.3370 -2.1944 -2.1944 -2.1250 -2.1250 -0.0580 -0.0580 0.2713 0.2713 0.4908 0.4908 0.6354 0.6354 0.9430 0.9430 1.0177 1.0177 1.1551 1.1551 1.1938 1.1938 1.3352 1.3352 1.3946 1.3946 1.5082 1.5082 1.5356 1.5356 1.6051 1.6051 2.1388 2.1388 2.5459 2.5459 5.6777 5.6777 5.9667 5.9667 6.0842 6.0842 10.1321 10.1321 10.5319 10.5319 10.7642 10.7642 10.7890 10.7890 k = 0.5729-0.1624 0.4082 ( 8828 PWs) bands (ev): -21.8942 -21.8942 -21.8925 -21.8925 -13.3606 -13.3606 -11.1632 -11.1632 -11.1339 -11.1339 -11.1250 -11.1250 -10.8367 -10.8367 -10.6604 -10.6604 -8.5939 -8.5939 -6.5921 -6.5921 -6.5750 -6.5750 -5.7381 -5.7381 -5.7195 -5.7195 -5.7125 -5.7125 -5.6922 -5.6922 -2.3327 -2.3327 -2.1972 -2.1972 -2.1244 -2.1244 -0.0723 -0.0723 0.2517 0.2517 0.5192 0.5192 0.6461 0.6461 0.9714 0.9714 0.9909 0.9909 1.1593 1.1593 1.1979 1.1979 1.3198 1.3198 1.4130 1.4130 1.4985 1.4985 1.5279 1.5279 1.5841 1.5841 2.1524 2.1524 2.5465 2.5465 5.6881 5.6881 5.9614 5.9614 6.0835 6.0835 10.1141 10.1141 10.5281 10.5281 10.7512 10.7512 10.7786 10.7786 k = 0.5625-0.1804 0.4082 ( 8832 PWs) bands (ev): -21.8942 -21.8942 -21.8924 -21.8924 -13.3606 -13.3606 -11.1579 -11.1579 -11.1343 -11.1343 -11.1271 -11.1271 -10.8434 -10.8434 -10.6570 -10.6570 -8.5934 -8.5934 -6.5926 -6.5926 -6.5745 -6.5745 -5.7391 -5.7391 -5.7193 -5.7193 -5.7125 -5.7125 -5.6911 -5.6911 -2.3294 -2.3294 -2.1995 -2.1995 -2.1233 -2.1233 -0.0849 -0.0849 0.2343 0.2343 0.5478 0.5478 0.6557 0.6557 0.9599 0.9599 1.0036 1.0036 1.1632 1.1632 1.2026 1.2026 1.3033 1.3033 1.4290 1.4290 1.4894 1.4894 1.5220 1.5220 1.5650 1.5650 2.1647 2.1647 2.5465 2.5465 5.6957 5.6957 5.9566 5.9566 6.0841 6.0841 10.0970 10.0970 10.5199 10.5199 10.7399 10.7399 10.7704 10.7704 k = 0.5521-0.1985 0.4082 ( 8836 PWs) bands (ev): -21.8943 -21.8943 -21.8924 -21.8924 -13.3606 -13.3606 -11.1532 -11.1532 -11.1349 -11.1349 -11.1286 -11.1286 -10.8494 -10.8494 -10.6539 -10.6539 -8.5929 -8.5929 -6.5930 -6.5930 -6.5741 -6.5741 -5.7400 -5.7400 -5.7191 -5.7191 -5.7125 -5.7125 -5.6902 -5.6902 -2.3272 -2.3272 -2.2013 -2.2013 -2.1219 -2.1219 -0.0957 -0.0957 0.2191 0.2191 0.5761 0.5761 0.6642 0.6642 0.9322 0.9322 1.0322 1.0322 1.1667 1.1667 1.2076 1.2076 1.2859 1.2859 1.4419 1.4419 1.4806 1.4806 1.5182 1.5182 1.5482 1.5482 2.1755 2.1755 2.5462 2.5462 5.7008 5.7008 5.9530 5.9530 6.0854 6.0854 10.0815 10.0815 10.5092 10.5092 10.7303 10.7303 10.7643 10.7643 k = 0.5417-0.2165 0.4082 ( 8830 PWs) bands (ev): -21.8943 -21.8943 -21.8923 -21.8923 -13.3606 -13.3606 -11.1494 -11.1494 -11.1356 -11.1356 -11.1293 -11.1293 -10.8545 -10.8545 -10.6514 -10.6514 -8.5926 -8.5926 -6.5933 -6.5933 -6.5738 -6.5738 -5.7408 -5.7408 -5.7190 -5.7190 -5.7125 -5.7125 -5.6894 -5.6894 -2.3258 -2.3258 -2.2025 -2.2025 -2.1206 -2.1206 -0.1046 -0.1046 0.2065 0.2065 0.6035 0.6035 0.6716 0.6716 0.9047 0.9047 1.0605 1.0605 1.1696 1.1696 1.2122 1.2122 1.2682 1.2682 1.4516 1.4516 1.4722 1.4722 1.5162 1.5162 1.5343 1.5343 2.1847 2.1847 2.5458 2.5458 5.7037 5.7037 5.9506 5.9506 6.0870 6.0870 10.0680 10.0680 10.4981 10.4981 10.7225 10.7225 10.7599 10.7599 k = 0.5312-0.2345 0.4082 ( 8854 PWs) bands (ev): -21.8944 -21.8944 -21.8923 -21.8923 -13.3606 -13.3606 -11.1466 -11.1466 -11.1359 -11.1359 -11.1296 -11.1296 -10.8588 -10.8588 -10.6495 -10.6495 -8.5924 -8.5924 -6.5936 -6.5936 -6.5735 -6.5735 -5.7415 -5.7415 -5.7189 -5.7189 -5.7125 -5.7125 -5.6888 -5.6888 -2.3251 -2.3251 -2.2032 -2.2032 -2.1194 -2.1194 -0.1117 -0.1117 0.1966 0.1966 0.6286 0.6286 0.6784 0.6784 0.8786 0.8786 1.0879 1.0879 1.1717 1.1717 1.2146 1.2146 1.2516 1.2516 1.4580 1.4580 1.4645 1.4645 1.5156 1.5156 1.5240 1.5240 2.1919 2.1919 2.5453 2.5453 5.7051 5.7051 5.9493 5.9493 6.0885 6.0885 10.0570 10.0570 10.4879 10.4879 10.7164 10.7164 10.7568 10.7568 k = 0.5208-0.2526 0.4082 ( 8844 PWs) bands (ev): -21.8944 -21.8944 -21.8923 -21.8923 -13.3606 -13.3606 -11.1451 -11.1451 -11.1358 -11.1358 -11.1297 -11.1297 -10.8619 -10.8619 -10.6480 -10.6480 -8.5922 -8.5922 -6.5938 -6.5938 -6.5734 -6.5734 -5.7419 -5.7419 -5.7189 -5.7189 -5.7125 -5.7125 -5.6883 -5.6883 -2.3248 -2.3248 -2.2036 -2.2036 -2.1184 -2.1184 -0.1167 -0.1167 0.1894 0.1894 0.6491 0.6491 0.6852 0.6852 0.8554 0.8554 1.1141 1.1141 1.1725 1.1725 1.2105 1.2105 1.2404 1.2404 1.4580 1.4580 1.4618 1.4618 1.5134 1.5134 1.5197 1.5197 2.1972 2.1972 2.5448 2.5448 5.7056 5.7056 5.9486 5.9486 6.0897 6.0897 10.0489 10.0489 10.4798 10.4798 10.7120 10.7120 10.7548 10.7548 k = 0.5104-0.2706 0.4082 ( 8876 PWs) bands (ev): -21.8944 -21.8944 -21.8923 -21.8923 -13.3606 -13.3606 -11.1445 -11.1445 -11.1355 -11.1355 -11.1296 -11.1296 -10.8638 -10.8638 -10.6472 -10.6472 -8.5921 -8.5921 -6.5939 -6.5939 -6.5733 -6.5733 -5.7422 -5.7422 -5.7188 -5.7188 -5.7125 -5.7125 -5.6880 -5.6880 -2.3247 -2.3247 -2.2037 -2.2037 -2.1178 -2.1178 -0.1197 -0.1197 0.1851 0.1851 0.6615 0.6615 0.6925 0.6925 0.8382 0.8382 1.1383 1.1383 1.1701 1.1701 1.1992 1.1992 1.2373 1.2373 1.4538 1.4538 1.4636 1.4636 1.5098 1.5098 1.5198 1.5198 2.2005 2.2005 2.5445 2.5445 5.7057 5.7057 5.9484 5.9484 6.0905 6.0905 10.0440 10.0440 10.4747 10.4747 10.7094 10.7094 10.7536 10.7536 k = 0.5000-0.2887 0.4082 ( 8904 PWs) bands (ev): -21.8944 -21.8944 -21.8923 -21.8923 -13.3606 -13.3606 -11.1443 -11.1443 -11.1353 -11.1353 -11.1296 -11.1296 -10.8645 -10.8645 -10.6469 -10.6469 -8.5921 -8.5921 -6.5940 -6.5940 -6.5732 -6.5732 -5.7423 -5.7423 -5.7188 -5.7188 -5.7125 -5.7125 -5.6879 -5.6879 -2.3247 -2.3247 -2.2037 -2.2037 -2.1176 -2.1176 -0.1208 -0.1208 0.1836 0.1836 0.6653 0.6653 0.6962 0.6962 0.8316 0.8316 1.1570 1.1570 1.1604 1.1604 1.1929 1.1929 1.2371 1.2371 1.4523 1.4523 1.4642 1.4642 1.5085 1.5085 1.5201 1.5201 2.2015 2.2015 2.5444 2.5444 5.7056 5.7056 5.9484 5.9484 6.0908 6.0908 10.0423 10.0423 10.4729 10.4729 10.7086 10.7086 10.7533 10.7533 Writing output data file Rb2SeCl6.save init_run : 0.39s CPU 0.51s WALL ( 1 calls) electrons : 387.14s CPU 390.74s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.04s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 387.13s CPU 390.73s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.10s CPU 0.12s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.08s WALL ( 219 calls) cegterg : 361.68s CPU 364.73s WALL ( 456 calls) Called by sum_band: Called by *egterg: h_psi : 201.91s CPU 204.78s WALL ( 6856 calls) s_psi : 13.02s CPU 13.02s WALL ( 6856 calls) g_psi : 0.25s CPU 0.27s WALL ( 6181 calls) cdiaghg : 133.32s CPU 133.42s WALL ( 6400 calls) cegterg:over : 14.65s CPU 14.52s WALL ( 6181 calls) cegterg:upda : 8.98s CPU 9.36s WALL ( 6181 calls) cegterg:last : 5.38s CPU 5.43s WALL ( 894 calls) cdiaghg:chol : 5.15s CPU 5.24s WALL ( 6400 calls) cdiaghg:inve : 3.76s CPU 3.82s WALL ( 6400 calls) cdiaghg:para : 8.39s CPU 8.09s WALL ( 12800 calls) Called by h_psi: h_psi:vloc : 172.99s CPU 175.71s WALL ( 6856 calls) h_psi:vnl : 28.61s CPU 28.76s WALL ( 6856 calls) add_vuspsi : 15.35s CPU 15.44s WALL ( 6856 calls) General routines calbec : 13.21s CPU 13.30s WALL ( 6856 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 167.96s CPU 170.52s WALL ( 872320 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.16s CPU 0.21s WALL ( 438 calls) Parallel routines fft_scatter : 115.88s CPU 117.10s WALL ( 872343 calls) PWSCF : 7m13.81s CPU 7m30.13s WALL This run was terminated on: 9:48: 6 31Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=