Program PWSCF v.5.3.0 (svn rev. 11974) starts on 31Jan2017 at 9:41:52 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 72 processors R & G space division: proc/nbgrp/npool/nimage = 72 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Rb2TiCl6.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 53 53 14 2207 2207 308 Max 54 54 15 2213 2213 315 Sum 3865 3865 1045 159181 159181 22419 bravais-lattice index = 14 lattice parameter (alat) = 13.2582 a.u. unit-cell volume = 1647.9126 (a.u.)^3 number of atoms/cell = 9 number of atomic types = 3 number of electrons = 72.00 number of Kohn-Sham states= 86 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 320.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 13.258154 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.500000 celldm(5)= 0.500000 celldm(6)= 0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.500000 0.866025 0.000000 ) a(3) = ( 0.500000 0.288675 0.816497 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.577350 -0.408248 ) b(2) = ( 0.000000 1.154701 -0.408248 ) b(3) = ( 0.000000 0.000000 1.224745 ) PseudoPot. # 1 for Cl read from file: /users/gautes/Pseudo/Cl.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 689bc0dc0caaad1d61892f37b0005eca Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1157 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Rb read from file: /users/gautes/Pseudo/Rb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 948b8f0a9070089a35782939cf30e963 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1219 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Ti read from file: /users/gautes/Pseudo/Ti.rel-pbe-oncvpsp.UPF MD5 check sum: 490816c065db03488b8f3a1c39de4952 Pseudo is Norm-conserving, Zval = 12.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 600 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 atomic species valence mass pseudopotential Cl 7.00 35.45300 Cl( 1.00) Rb 9.00 85.46780 Rb( 1.00) Ti 12.00 47.86700 Ti( 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 0.7058824), wk = 0.0045662 k( 67) = ( 0.3419118 0.3419118 0.6838235), wk = 0.0045662 k( 68) = ( 0.3308823 0.3308823 0.6617647), wk = 0.0045662 k( 69) = ( 0.3198529 0.3198529 0.6397059), wk = 0.0045662 k( 70) = ( 0.3088235 0.3088235 0.6176471), wk = 0.0045662 k( 71) = ( 0.2977941 0.2977941 0.5955882), wk = 0.0045662 k( 72) = ( 0.2867647 0.2867647 0.5735294), wk = 0.0045662 k( 73) = ( 0.2757353 0.2757353 0.5514706), wk = 0.0045662 k( 74) = ( 0.2647059 0.2647059 0.5294118), wk = 0.0045662 k( 75) = ( 0.2536765 0.2536765 0.5073529), wk = 0.0045662 k( 76) = ( 0.2426471 0.2426471 0.4852941), wk = 0.0045662 k( 77) = ( 0.2316177 0.2316177 0.4632353), wk = 0.0045662 k( 78) = ( 0.2205882 0.2205882 0.4411765), wk = 0.0045662 k( 79) = ( 0.2095588 0.2095588 0.4191177), wk = 0.0045662 k( 80) = ( 0.1985294 0.1985294 0.3970588), wk = 0.0045662 k( 81) = ( 0.1875000 0.1875000 0.3750000), wk = 0.0045662 k( 82) = ( 0.1764706 0.1764706 0.3529412), wk = 0.0045662 k( 83) = ( 0.1654412 0.1654412 0.3308824), wk = 0.0045662 k( 84) = ( 0.1544118 0.1544118 0.3088235), wk = 0.0045662 k( 85) = ( 0.1433823 0.1433823 0.2867647), wk = 0.0045662 k( 86) = ( 0.1323529 0.1323529 0.2647059), wk = 0.0045662 k( 87) = ( 0.1213235 0.1213235 0.2426471), wk = 0.0045662 k( 88) = ( 0.1102941 0.1102941 0.2205882), wk = 0.0045662 k( 89) = ( 0.0992647 0.0992647 0.1985294), wk = 0.0045662 k( 90) = ( 0.0882353 0.0882353 0.1764706), wk = 0.0045662 k( 91) = ( 0.0772059 0.0772059 0.1544118), wk = 0.0045662 k( 92) = ( 0.0661765 0.0661765 0.1323529), wk = 0.0045662 k( 93) = ( 0.0551471 0.0551471 0.1102941), wk = 0.0045662 k( 94) = ( 0.0441177 0.0441177 0.0882353), wk = 0.0045662 k( 95) = ( 0.0330882 0.0330882 0.0661765), wk = 0.0045662 k( 96) = ( 0.0220588 0.0220588 0.0441177), wk = 0.0045662 k( 97) = ( 0.0110294 0.0110294 0.0220588), wk = 0.0045662 k( 98) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045662 k( 99) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045662 k( 100) = ( 0.0178571 0.0178571 0.0178571), wk = 0.0045662 k( 101) = ( 0.0357143 0.0357143 0.0357143), wk = 0.0045662 k( 102) = ( 0.0535714 0.0535714 0.0535714), wk = 0.0045662 k( 103) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0045662 k( 104) = ( 0.0892857 0.0892857 0.0892857), wk = 0.0045662 k( 105) = ( 0.1071429 0.1071429 0.1071429), wk = 0.0045662 k( 106) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0045662 k( 107) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0045662 k( 108) = ( 0.1607143 0.1607143 0.1607143), wk = 0.0045662 k( 109) = ( 0.1785714 0.1785714 0.1785714), wk = 0.0045662 k( 110) = ( 0.1964286 0.1964286 0.1964286), wk = 0.0045662 k( 111) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0045662 k( 112) = ( 0.2321429 0.2321429 0.2321429), wk = 0.0045662 k( 113) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0045662 k( 114) = ( 0.2678571 0.2678571 0.2678571), wk = 0.0045662 k( 115) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0045662 k( 116) = ( 0.3035714 0.3035714 0.3035714), wk = 0.0045662 k( 117) = ( 0.3214286 0.3214286 0.3214286), wk = 0.0045662 k( 118) = ( 0.3392857 0.3392857 0.3392857), wk = 0.0045662 k( 119) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0045662 k( 120) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0045662 k( 121) = ( 0.3928571 0.3928571 0.3928571), wk = 0.0045662 k( 122) = ( 0.4107143 0.4107143 0.4107143), wk = 0.0045662 k( 123) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0045662 k( 124) = ( 0.4464286 0.4464286 0.4464286), wk = 0.0045662 k( 125) = ( 0.4642857 0.4642857 0.4642857), wk = 0.0045662 k( 126) = ( 0.4821429 0.4821429 0.4821429), wk = 0.0045662 k( 127) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0045662 k( 128) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0045662 k( 129) = ( 0.5062500 0.4875000 0.5062500), wk = 0.0045662 k( 130) = ( 0.5125000 0.4750000 0.5125000), wk = 0.0045662 k( 131) = ( 0.5187500 0.4625000 0.5187500), wk = 0.0045662 k( 132) = ( 0.5250000 0.4500000 0.5250000), wk = 0.0045662 k( 133) = ( 0.5312500 0.4375000 0.5312500), wk = 0.0045662 k( 134) = ( 0.5375000 0.4250000 0.5375000), wk = 0.0045662 k( 135) = ( 0.5437500 0.4125000 0.5437500), wk = 0.0045662 k( 136) = ( 0.5500000 0.4000000 0.5500000), wk = 0.0045662 k( 137) = ( 0.5562500 0.3875000 0.5562500), wk = 0.0045662 k( 138) = ( 0.5625000 0.3750000 0.5625000), wk = 0.0045662 k( 139) = ( 0.5687500 0.3625000 0.5687500), wk = 0.0045662 k( 140) = ( 0.5750000 0.3500000 0.5750000), wk = 0.0045662 k( 141) = ( 0.5812500 0.3375000 0.5812500), wk = 0.0045662 k( 142) = ( 0.5875000 0.3250000 0.5875000), wk = 0.0045662 k( 143) = ( 0.5937500 0.3125000 0.5937500), wk = 0.0045662 k( 144) = ( 0.6000000 0.3000000 0.6000000), wk = 0.0045662 k( 145) = ( 0.6062500 0.2875000 0.6062500), wk = 0.0045662 k( 146) = ( 0.6125000 0.2750000 0.6125000), wk = 0.0045662 k( 147) = ( 0.6187500 0.2625000 0.6187500), wk = 0.0045662 k( 148) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0045662 k( 149) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0045662 k( 150) = ( 0.6145833 0.2500000 0.6354167), wk = 0.0045662 k( 151) = ( 0.6041667 0.2500000 0.6458333), wk = 0.0045662 k( 152) = ( 0.5937500 0.2500000 0.6562500), wk = 0.0045662 k( 153) = ( 0.5833333 0.2500000 0.6666667), wk = 0.0045662 k( 154) = ( 0.5729167 0.2500000 0.6770833), wk = 0.0045662 k( 155) = ( 0.5625000 0.2500000 0.6875000), wk = 0.0045662 k( 156) = ( 0.5520833 0.2500000 0.6979167), wk = 0.0045662 k( 157) = ( 0.5416667 0.2500000 0.7083333), wk = 0.0045662 k( 158) = ( 0.5312500 0.2500000 0.7187500), wk = 0.0045662 k( 159) = ( 0.5208333 0.2500000 0.7291667), wk = 0.0045662 k( 160) = ( 0.5104167 0.2500000 0.7395833), wk = 0.0045662 k( 161) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0045662 k( 162) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0045662 k( 163) = ( 0.5000000 0.2608696 0.7391304), wk = 0.0045662 k( 164) = ( 0.5000000 0.2717391 0.7282609), wk = 0.0045662 k( 165) = ( 0.5000000 0.2826087 0.7173913), wk = 0.0045662 k( 166) = ( 0.5000000 0.2934783 0.7065217), wk = 0.0045662 k( 167) = ( 0.5000000 0.3043478 0.6956522), wk = 0.0045662 k( 168) = ( 0.5000000 0.3152174 0.6847826), wk = 0.0045662 k( 169) = ( 0.5000000 0.3260870 0.6739130), wk = 0.0045662 k( 170) = ( 0.5000000 0.3369565 0.6630435), wk = 0.0045662 k( 171) = ( 0.5000000 0.3478261 0.6521739), wk = 0.0045662 k( 172) = ( 0.5000000 0.3586956 0.6413044), wk = 0.0045662 k( 173) = ( 0.5000000 0.3695652 0.6304348), wk = 0.0045662 k( 174) = ( 0.5000000 0.3804348 0.6195652), wk = 0.0045662 k( 175) = ( 0.5000000 0.3913044 0.6086957), wk = 0.0045662 k( 176) = ( 0.5000000 0.4021739 0.5978261), wk = 0.0045662 k( 177) = ( 0.5000000 0.4130435 0.5869565), wk = 0.0045662 k( 178) = ( 0.5000000 0.4239130 0.5760870), wk = 0.0045662 k( 179) = ( 0.5000000 0.4347826 0.5652174), wk = 0.0045662 k( 180) = ( 0.5000000 0.4456522 0.5543478), wk = 0.0045662 k( 181) = ( 0.5000000 0.4565217 0.5434783), wk = 0.0045662 k( 182) = ( 0.5000000 0.4673913 0.5326087), wk = 0.0045662 k( 183) = ( 0.5000000 0.4782609 0.5217391), wk = 0.0045662 k( 184) = ( 0.5000000 0.4891304 0.5108696), wk = 0.0045662 k( 185) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0045662 k( 186) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0045662 k( 187) = ( 0.4937500 0.4937500 0.5125000), wk = 0.0045662 k( 188) = ( 0.4875000 0.4875000 0.5250000), wk = 0.0045662 k( 189) = ( 0.4812500 0.4812500 0.5375000), wk = 0.0045662 k( 190) = ( 0.4750000 0.4750000 0.5500000), wk = 0.0045662 k( 191) = ( 0.4687500 0.4687500 0.5625000), wk = 0.0045662 k( 192) = ( 0.4625000 0.4625000 0.5750000), wk = 0.0045662 k( 193) = ( 0.4562500 0.4562500 0.5875000), wk = 0.0045662 k( 194) = ( 0.4500000 0.4500000 0.6000000), wk = 0.0045662 k( 195) = ( 0.4437500 0.4437500 0.6125000), wk = 0.0045662 k( 196) = ( 0.4375000 0.4375000 0.6250000), wk = 0.0045662 k( 197) = ( 0.4312500 0.4312500 0.6375000), wk = 0.0045662 k( 198) = ( 0.4250000 0.4250000 0.6500000), wk = 0.0045662 k( 199) = ( 0.4187500 0.4187500 0.6625000), wk = 0.0045662 k( 200) = ( 0.4125000 0.4125000 0.6750000), wk = 0.0045662 k( 201) = ( 0.4062500 0.4062500 0.6875000), wk = 0.0045662 k( 202) = ( 0.4000000 0.4000000 0.7000000), wk = 0.0045662 k( 203) = ( 0.3937500 0.3937500 0.7125000), wk = 0.0045662 k( 204) = ( 0.3875000 0.3875000 0.7250000), wk = 0.0045662 k( 205) = ( 0.3812500 0.3812500 0.7375000), wk = 0.0045662 k( 206) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0045662 k( 207) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0045662 k( 208) = ( 0.6145833 0.2291667 0.6145833), wk = 0.0045662 k( 209) = ( 0.6041667 0.2083333 0.6041667), wk = 0.0045662 k( 210) = ( 0.5937500 0.1875000 0.5937500), wk = 0.0045662 k( 211) = ( 0.5833333 0.1666667 0.5833333), wk = 0.0045662 k( 212) = ( 0.5729167 0.1458333 0.5729167), wk = 0.0045662 k( 213) = ( 0.5625000 0.1250000 0.5625000), wk = 0.0045662 k( 214) = ( 0.5520833 0.1041667 0.5520833), wk = 0.0045662 k( 215) = ( 0.5416667 0.0833333 0.5416667), wk = 0.0045662 k( 216) = ( 0.5312500 0.0625000 0.5312500), wk = 0.0045662 k( 217) = ( 0.5208333 0.0416667 0.5208333), wk = 0.0045662 k( 218) = ( 0.5104167 0.0208333 0.5104167), wk = 0.0045662 k( 219) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0045662 Dense grid: 159181 G-vectors FFT dimensions: ( 75, 75, 75) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.75 Mb ( 568, 86) NL pseudopotentials 1.33 Mb ( 284, 306) Each V/rho on FFT grid 0.17 Mb ( 11250) Each G-vector array 0.02 Mb ( 2208) G-vector shells 0.01 Mb ( 740) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 2.98 Mb ( 568, 344) Each subspace H/S matrix 0.05 Mb ( 57, 57) Each matrix 0.80 Mb ( 306, 2, 86) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./Rb2TiCl6.save/charge-density.dat Starting wfc are 80 randomized atomic wfcs + 6 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 5.5 secs Computing kpt #: 2 total cpu time spent up to now is 8.7 secs Computing kpt #: 3 total cpu time spent up to now is 12.0 secs Computing kpt #: 4 total cpu time spent up to now is 15.1 secs Computing kpt #: 5 total cpu time spent up to now is 18.3 secs Computing kpt #: 6 total cpu time spent up to now is 21.5 secs Computing kpt #: 7 total cpu time spent up to now is 24.8 secs Computing kpt #: 8 total cpu time spent up to now is 28.5 secs Computing kpt #: 9 total cpu time spent up to now is 32.3 secs Computing kpt #: 10 total cpu time spent up to now is 35.3 secs Computing kpt #: 11 total cpu time spent up to now is 38.5 secs Computing kpt #: 12 total cpu time spent up to now is 41.7 secs Computing kpt #: 13 total cpu time spent up to now is 44.8 secs Computing kpt #: 14 total cpu time spent up to now is 47.9 secs Computing kpt #: 15 total cpu time spent up to now is 51.1 secs Computing kpt #: 16 total cpu time spent up to now is 54.4 secs Computing kpt #: 17 total cpu time spent up to now is 57.8 secs Computing kpt #: 18 total cpu time spent up to now is 61.2 secs Computing kpt #: 19 total cpu time spent up to now is 64.4 secs Computing kpt #: 20 total cpu time spent up to now is 67.7 secs Computing kpt #: 21 total cpu time spent up to now is 71.0 secs Computing kpt #: 22 total cpu time spent up to now is 74.2 secs Computing kpt #: 23 total cpu time spent up to now is 77.5 secs Computing kpt #: 24 total cpu time spent up to now is 80.7 secs Computing kpt #: 25 total cpu time spent up to now is 83.9 secs Computing kpt #: 26 total cpu time spent up to now is 87.0 secs Computing kpt #: 27 total cpu time spent up to now is 90.2 secs Computing kpt #: 28 total cpu time spent up to now is 93.2 secs Computing kpt #: 29 total cpu time spent up to now is 96.0 secs Computing kpt #: 30 total cpu time spent up to now is 99.2 secs Computing kpt #: 31 total cpu time spent up to now is 102.3 secs Computing kpt #: 32 total cpu time spent up to now is 105.5 secs Computing kpt #: 33 total cpu time spent up to now is 108.7 secs Computing kpt #: 34 total cpu time spent up to now is 111.9 secs Computing kpt #: 35 total cpu time spent up to now is 115.5 secs Computing kpt #: 36 total cpu time spent up to now is 118.8 secs Computing kpt #: 37 total cpu time spent up to now is 122.3 secs Computing kpt #: 38 total cpu time spent up to now is 125.6 secs Computing kpt #: 39 total cpu time spent up to now is 128.8 secs Computing kpt #: 40 total cpu time spent up to now is 132.0 secs Computing kpt #: 41 total cpu time spent up to now is 135.3 secs Computing kpt #: 42 total cpu time spent up to now is 139.0 secs Computing kpt #: 43 total cpu time spent up to now is 142.9 secs Computing kpt #: 44 total cpu time spent up to now is 146.3 secs Computing kpt #: 45 total cpu time spent up to now is 150.2 secs Computing kpt #: 46 total cpu time spent up to now is 154.5 secs Computing kpt #: 47 total cpu time spent up to now is 159.4 secs Computing kpt #: 48 total cpu time spent up to now is 162.6 secs Computing kpt #: 49 total cpu time spent up to now is 165.7 secs Computing kpt #: 50 total cpu time spent up to now is 168.8 secs Computing kpt #: 51 total cpu time spent up to now is 171.9 secs Computing kpt #: 52 total cpu time spent up to now is 175.0 secs Computing kpt #: 53 total cpu time spent up to now is 178.3 secs Computing kpt #: 54 total cpu time spent up to now is 181.7 secs Computing kpt #: 55 total cpu time spent up to now is 185.0 secs Computing kpt #: 56 total cpu time spent up to now is 188.4 secs Computing kpt #: 57 total cpu time spent up to now is 191.8 secs Computing kpt #: 58 total cpu time spent up to now is 195.1 secs Computing kpt #: 59 total cpu time spent up to now is 198.5 secs Computing kpt #: 60 total cpu time spent up to now is 201.8 secs Computing kpt #: 61 total cpu time spent up to now is 205.1 secs Computing kpt #: 62 total cpu time spent up to now is 208.6 secs Computing kpt #: 63 total cpu time spent up to now is 211.9 secs Computing kpt #: 64 total cpu time spent up to now is 215.3 secs Computing kpt #: 65 total cpu time spent up to now is 218.9 secs Computing kpt #: 66 total cpu time spent up to now is 222.2 secs Computing kpt #: 67 total cpu time spent up to now is 225.5 secs Computing kpt #: 68 total cpu time spent up to now is 228.8 secs Computing kpt #: 69 total cpu time spent up to now is 232.0 secs Computing kpt #: 70 total cpu time spent up to now is 235.3 secs Computing kpt #: 71 total cpu time spent up to now is 238.6 secs Computing kpt #: 72 total cpu time spent up to now is 241.9 secs Computing kpt #: 73 total cpu time spent up to now is 245.2 secs Computing kpt #: 74 total cpu time spent up to now is 248.6 secs Computing kpt #: 75 total cpu time spent up to now is 252.2 secs Computing kpt #: 76 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 260.6 secs Computing kpt #: 77 total cpu time spent up to now is 265.1 secs Computing kpt #: 78 total cpu time spent up to now is 269.4 secs Computing kpt #: 79 total cpu time spent up to now is 275.1 secs Computing kpt #: 80 total cpu time spent up to now is 282.5 secs Computing kpt #: 81 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 289.5 secs Computing kpt #: 82 total cpu time spent up to now is 295.0 secs Computing kpt #: 83 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 302.9 secs Computing kpt #: 84 total cpu time spent up to now is 308.2 secs Computing kpt #: 85 total cpu time spent up to now is 314.2 secs Computing kpt #: 86 total cpu time spent up to now is 318.8 secs Computing kpt #: 87 total cpu time spent up to now is 323.5 secs Computing kpt #: 88 total cpu time spent up to now is 328.0 secs Computing kpt #: 89 total cpu time spent up to now is 332.3 secs Computing kpt #: 90 total cpu time spent up to now is 337.3 secs Computing kpt #: 91 total cpu time spent up to now is 342.1 secs Computing kpt #: 92 total cpu time spent up to now is 346.4 secs Computing kpt #: 93 total cpu time spent up to now is 351.5 secs Computing kpt #: 94 total cpu time spent up to now is 356.6 secs Computing kpt #: 95 total cpu time spent up to now is 360.1 secs Computing kpt #: 96 total cpu time spent up to now is 363.9 secs Computing kpt #: 97 total cpu time spent up to now is 367.3 secs Computing kpt #: 98 total cpu time spent up to now is 371.8 secs Computing kpt #: 99 total cpu time spent up to now is 375.1 secs Computing kpt #: 100 total cpu time spent up to now is 378.3 secs Computing kpt #: 101 total cpu time spent up to now is 381.8 secs Computing kpt #: 102 total cpu time spent up to now is 385.2 secs Computing kpt #: 103 total cpu time spent up to now is 388.4 secs Computing kpt #: 104 total cpu time spent up to now is 392.6 secs Computing kpt #: 105 total cpu time spent up to now is 395.6 secs Computing kpt #: 106 total cpu time spent up to now is 398.5 secs Computing kpt #: 107 total cpu time spent up to now is 402.0 secs Computing kpt #: 108 total cpu time spent up to now is 405.3 secs Computing kpt #: 109 total cpu time spent up to now is 408.6 secs Computing kpt #: 110 total cpu time spent up to now is 412.1 secs Computing kpt #: 111 total cpu time spent up to now is 415.6 secs Computing kpt #: 112 total cpu time spent up to now is 419.1 secs Computing kpt #: 113 total cpu time spent up to now is 423.0 secs Computing kpt #: 114 total cpu time spent up to now is 427.1 secs Computing kpt #: 115 total cpu time spent up to now is 431.3 secs Computing kpt #: 116 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 438.7 secs Computing kpt #: 117 total cpu time spent up to now is 443.3 secs Computing kpt #: 118 total cpu time spent up to now is 447.1 secs Computing kpt #: 119 total cpu time spent up to now is 450.9 secs Computing kpt #: 120 total cpu time spent up to now is 455.5 secs Computing kpt #: 121 total cpu time spent up to now is 458.6 secs Computing kpt #: 122 total cpu time spent up to now is 461.4 secs Computing kpt #: 123 total cpu time spent up to now is 464.4 secs Computing kpt #: 124 total cpu time spent up to now is 467.1 secs Computing kpt #: 125 total cpu time spent up to now is 470.1 secs Computing kpt #: 126 total cpu time spent up to now is 473.2 secs Computing kpt #: 127 total cpu time spent up to now is 476.2 secs Computing kpt #: 128 total cpu time spent up to now is 479.7 secs Computing kpt #: 129 total cpu time spent up to now is 482.7 secs Computing kpt #: 130 total cpu time spent up to now is 485.8 secs Computing kpt #: 131 total cpu time spent up to now is 488.4 secs Computing kpt #: 132 total cpu time spent up to now is 491.3 secs Computing kpt #: 133 total cpu time spent up to now is 494.1 secs Computing kpt #: 134 total cpu time spent up to now is 496.9 secs Computing kpt #: 135 total cpu time spent up to now is 499.7 secs Computing kpt #: 136 total cpu time spent up to now is 502.7 secs Computing kpt #: 137 total cpu time spent up to now is 506.2 secs Computing kpt #: 138 total cpu time spent up to now is 509.4 secs Computing kpt #: 139 total cpu time spent up to now is 512.8 secs Computing kpt #: 140 total cpu time spent up to now is 516.2 secs Computing kpt #: 141 total cpu time spent up to now is 519.6 secs Computing kpt #: 142 total cpu time spent up to now is 523.6 secs Computing kpt #: 143 total cpu time spent up to now is 527.5 secs Computing kpt #: 144 total cpu time spent up to now is 533.8 secs Computing kpt #: 145 total cpu time spent up to now is 537.9 secs Computing kpt #: 146 total cpu time spent up to now is 541.7 secs Computing kpt #: 147 total cpu time spent up to now is 545.4 secs Computing kpt #: 148 total cpu time spent up to now is 549.0 secs Computing kpt #: 149 total cpu time spent up to now is 552.8 secs Computing kpt #: 150 total cpu time spent up to now is 556.7 secs Computing kpt #: 151 total cpu time spent up to now is 560.2 secs Computing kpt #: 152 total cpu time spent up to now is 563.8 secs Computing kpt #: 153 total cpu time spent up to now is 567.5 secs Computing kpt #: 154 total cpu time spent up to now is 571.0 secs Computing kpt #: 155 total cpu time spent up to now is 574.7 secs Computing kpt #: 156 total cpu time spent up to now is 578.4 secs Computing kpt #: 157 total cpu time spent up to now is 582.1 secs Computing kpt #: 158 total cpu time spent up to now is 586.0 secs Computing kpt #: 159 total cpu time spent up to now is 589.6 secs Computing kpt #: 160 total cpu time spent up to now is 593.2 secs Computing kpt #: 161 total cpu time spent up to now is 597.3 secs Computing kpt #: 162 total cpu time spent up to now is 601.1 secs Computing kpt #: 163 total cpu time spent up to now is 604.5 secs Computing kpt #: 164 total cpu time spent up to now is 608.0 secs Computing kpt #: 165 total cpu time spent up to now is 611.2 secs Computing kpt #: 166 total cpu time spent up to now is 614.7 secs Computing kpt #: 167 total cpu time spent up to now is 618.3 secs Computing kpt #: 168 total cpu time spent up to now is 621.6 secs Computing kpt #: 169 total cpu time spent up to now is 624.8 secs Computing kpt #: 170 total cpu time spent up to now is 628.3 secs Computing kpt #: 171 total cpu time spent up to now is 631.5 secs Computing kpt #: 172 total cpu time spent up to now is 634.5 secs Computing kpt #: 173 total cpu time spent up to now is 637.9 secs Computing kpt #: 174 total cpu time spent up to now is 641.3 secs Computing kpt #: 175 total cpu time spent up to now is 644.2 secs Computing kpt #: 176 total cpu time spent up to now is 647.1 secs Computing kpt #: 177 total cpu time spent up to now is 650.1 secs Computing kpt #: 178 total cpu time spent up to now is 652.9 secs Computing kpt #: 179 total cpu time spent up to now is 655.9 secs Computing kpt #: 180 total cpu time spent up to now is 658.9 secs Computing kpt #: 181 total cpu time spent up to now is 662.0 secs Computing kpt #: 182 total cpu time spent up to now is 665.2 secs Computing kpt #: 183 total cpu time spent up to now is 668.2 secs Computing kpt #: 184 total cpu time spent up to now is 671.0 secs Computing kpt #: 185 total cpu time spent up to now is 673.9 secs Computing kpt #: 186 total cpu time spent up to now is 676.9 secs Computing kpt #: 187 total cpu time spent up to now is 679.9 secs Computing kpt #: 188 total cpu time spent up to now is 682.6 secs Computing kpt #: 189 total cpu time spent up to now is 685.6 secs Computing kpt #: 190 total cpu time spent up to now is 688.4 secs Computing kpt #: 191 total cpu time spent up to now is 691.2 secs Computing kpt #: 192 total cpu time spent up to now is 694.2 secs Computing kpt #: 193 total cpu time spent up to now is 697.1 secs Computing kpt #: 194 total cpu time spent up to now is 700.1 secs Computing kpt #: 195 total cpu time spent up to now is 703.4 secs Computing kpt #: 196 total cpu time spent up to now is 707.4 secs Computing kpt #: 197 total cpu time spent up to now is 711.4 secs Computing kpt #: 198 total cpu time spent up to now is 714.9 secs Computing kpt #: 199 total cpu time spent up to now is 718.4 secs Computing kpt #: 200 total cpu time spent up to now is 721.9 secs Computing kpt #: 201 total cpu time spent up to now is 725.5 secs Computing kpt #: 202 total cpu time spent up to now is 729.4 secs Computing kpt #: 203 total cpu time spent up to now is 733.0 secs Computing kpt #: 204 total cpu time spent up to now is 736.8 secs Computing kpt #: 205 total cpu time spent up to now is 740.8 secs Computing kpt #: 206 total cpu time spent up to now is 744.4 secs Computing kpt #: 207 total cpu time spent up to now is 748.4 secs Computing kpt #: 208 total cpu time spent up to now is 752.2 secs Computing kpt #: 209 total cpu time spent up to now is 756.1 secs Computing kpt #: 210 total cpu time spent up to now is 760.1 secs Computing kpt #: 211 total cpu time spent up to now is 763.8 secs Computing kpt #: 212 total cpu time spent up to now is 767.4 secs Computing kpt #: 213 total cpu time spent up to now is 772.6 secs Computing kpt #: 214 total cpu time spent up to now is 776.3 secs Computing kpt #: 215 total cpu time spent up to now is 780.1 secs Computing kpt #: 216 total cpu time spent up to now is 783.7 secs Computing kpt #: 217 total cpu time spent up to now is 787.4 secs Computing kpt #: 218 total cpu time spent up to now is 791.0 secs Computing kpt #: 219 total cpu time spent up to now is 795.1 secs ethr = 1.39E-08, avg # of iterations = 31.1 total cpu time spent up to now is 795.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 19891 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6731 -21.6731 -21.6661 -21.6661 -11.1895 -11.1895 -10.4783 -10.4783 -10.4713 -10.4713 -10.4713 -10.4713 -10.3742 -10.3742 -10.3742 -10.3742 -6.4485 -6.4485 -6.3840 -6.3840 -5.6041 -5.6041 -5.6041 -5.6041 -5.5193 -5.5193 -5.5193 -5.5193 -1.0180 -1.0180 0.0860 0.0860 0.0871 0.0871 0.0871 0.0871 0.2032 0.2032 0.2032 0.2032 0.2151 0.2151 0.3983 0.3983 0.3983 0.3983 1.7372 1.7372 1.7372 1.7372 1.7966 1.7966 2.2192 2.2192 2.3637 2.3637 2.3637 2.3637 2.5344 2.5344 2.6030 2.6030 2.6030 2.6030 4.8459 4.8459 4.8459 4.8459 4.8735 4.8735 7.2000 7.2000 7.2000 7.2000 8.4419 8.4419 9.4747 9.4747 k = 0.0156-0.0090 0.0128 ( 19859 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6731 -21.6731 -21.6661 -21.6661 -11.1893 -11.1893 -10.4784 -10.4784 -10.4715 -10.4715 -10.4714 -10.4714 -10.3744 -10.3744 -10.3742 -10.3742 -6.4483 -6.4483 -6.3839 -6.3839 -5.6039 -5.6039 -5.6038 -5.6038 -5.5193 -5.5193 -5.5192 -5.5192 -1.0168 -1.0168 0.0858 0.0858 0.0871 0.0871 0.0875 0.0875 0.2015 0.2015 0.2036 0.2036 0.2145 0.2145 0.3983 0.3983 0.4008 0.4008 1.7366 1.7366 1.7366 1.7366 1.7960 1.7960 2.2180 2.2180 2.3619 2.3619 2.3629 2.3629 2.5335 2.5335 2.6017 2.6017 2.6025 2.6025 4.8461 4.8461 4.8467 4.8467 4.8740 4.8740 7.1984 7.1984 7.2000 7.2000 8.4454 8.4454 9.4770 9.4770 k = 0.0312-0.0180 0.0255 ( 19863 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6731 -21.6731 -21.6661 -21.6661 -11.1886 -11.1886 -10.4787 -10.4787 -10.4719 -10.4719 -10.4716 -10.4716 -10.3751 -10.3751 -10.3741 -10.3741 -6.4477 -6.4477 -6.3837 -6.3837 -5.6032 -5.6032 -5.6030 -5.6030 -5.5191 -5.5191 -5.5189 -5.5189 -1.0134 -1.0134 0.0838 0.0838 0.0885 0.0885 0.0886 0.0886 0.1952 0.1952 0.2047 0.2047 0.2143 0.2143 0.3983 0.3983 0.4076 0.4076 1.7348 1.7348 1.7348 1.7348 1.7941 1.7941 2.2144 2.2144 2.3566 2.3566 2.3606 2.3606 2.5306 2.5306 2.5975 2.5975 2.6011 2.6011 4.8465 4.8465 4.8491 4.8491 4.8757 4.8757 7.1935 7.1935 7.2000 7.2000 8.4561 8.4561 9.4837 9.4837 k = 0.0469-0.0271 0.0383 ( 19883 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6731 -21.6731 -21.6662 -21.6662 -11.1874 -11.1874 -10.4793 -10.4793 -10.4727 -10.4727 -10.4719 -10.4719 -10.3762 -10.3762 -10.3740 -10.3740 -6.4467 -6.4467 -6.3833 -6.3833 -5.6022 -5.6022 -5.6016 -5.6016 -5.5188 -5.5188 -5.5183 -5.5183 -1.0077 -1.0077 0.0803 0.0803 0.0904 0.0904 0.0912 0.0912 0.1843 0.1843 0.2065 0.2065 0.2158 0.2158 0.3982 0.3982 0.4179 0.4179 1.7317 1.7317 1.7318 1.7318 1.7910 1.7910 2.2082 2.2082 2.3480 2.3480 2.3568 2.3568 2.5257 2.5257 2.5907 2.5907 2.5989 2.5989 4.8469 4.8469 4.8531 4.8531 4.8786 4.8786 7.1854 7.1854 7.1999 7.1999 8.4738 8.4738 9.4948 9.4948 k = 0.0625-0.0361 0.0510 ( 19871 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6730 -21.6730 -21.6662 -21.6662 -11.1857 -11.1857 -10.4801 -10.4801 -10.4736 -10.4736 -10.4724 -10.4724 -10.3777 -10.3777 -10.3739 -10.3739 -6.4454 -6.4454 -6.3828 -6.3828 -5.6007 -5.6007 -5.5998 -5.5998 -5.5184 -5.5184 -5.5174 -5.5174 -0.9997 -0.9997 0.0754 0.0754 0.0928 0.0928 0.0950 0.0950 0.1703 0.1703 0.2090 0.2090 0.2186 0.2186 0.3981 0.3981 0.4305 0.4305 1.7275 1.7275 1.7276 1.7276 1.7867 1.7867 2.1994 2.1994 2.3364 2.3364 2.3515 2.3515 2.5184 2.5184 2.5812 2.5812 2.5963 2.5963 4.8471 4.8471 4.8586 4.8586 4.8831 4.8831 7.1742 7.1742 7.1999 7.1999 8.4984 8.4984 9.5103 9.5103 k = 0.0781-0.0451 0.0638 ( 19879 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6730 -21.6730 -21.6662 -21.6662 -11.1836 -11.1836 -10.4812 -10.4812 -10.4748 -10.4748 -10.4730 -10.4730 -10.3796 -10.3796 -10.3737 -10.3737 -6.4437 -6.4437 -6.3822 -6.3822 -5.5989 -5.5989 -5.5974 -5.5974 -5.5180 -5.5180 -5.5164 -5.5164 -0.9896 -0.9896 0.0692 0.0692 0.0952 0.0952 0.0998 0.0998 0.1548 0.1548 0.2122 0.2122 0.2225 0.2225 0.3979 0.3979 0.4444 0.4444 1.7221 1.7221 1.7224 1.7224 1.7812 1.7812 2.1878 2.1878 2.3222 2.3222 2.3449 2.3449 2.5086 2.5086 2.5692 2.5692 2.5935 2.5935 4.8469 4.8469 4.8655 4.8655 4.8891 4.8891 7.1599 7.1599 7.1998 7.1998 8.5299 8.5299 9.5302 9.5302 k = 0.0938-0.0541 0.0765 ( 19867 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6729 -21.6729 -21.6663 -21.6663 -11.1810 -11.1810 -10.4826 -10.4826 -10.4760 -10.4760 -10.4738 -10.4738 -10.3819 -10.3819 -10.3735 -10.3735 -6.4417 -6.4417 -6.3814 -6.3814 -5.5967 -5.5967 -5.5946 -5.5946 -5.5174 -5.5174 -5.5152 -5.5152 -0.9773 -0.9773 0.0617 0.0617 0.0967 0.0967 0.1056 0.1056 0.1399 0.1399 0.2161 0.2161 0.2273 0.2273 0.3977 0.3977 0.4590 0.4590 1.7155 1.7155 1.7160 1.7160 1.7745 1.7745 2.1732 2.1732 2.3060 2.3060 2.3370 2.3370 2.4963 2.4963 2.5547 2.5547 2.5908 2.5908 4.8463 4.8463 4.8737 4.8737 4.8968 4.8968 7.1427 7.1427 7.1996 7.1996 8.5679 8.5679 9.5543 9.5543 k = 0.1094-0.0631 0.0893 ( 19879 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6728 -21.6728 -21.6664 -21.6664 -11.1780 -11.1780 -10.4844 -10.4844 -10.4773 -10.4773 -10.4746 -10.4746 -10.3847 -10.3847 -10.3732 -10.3732 -6.4393 -6.4393 -6.3806 -6.3806 -5.5942 -5.5942 -5.5913 -5.5913 -5.5167 -5.5167 -5.5137 -5.5137 -0.9630 -0.9630 0.0530 0.0530 0.0938 0.0938 0.1124 0.1124 0.1295 0.1295 0.2207 0.2207 0.2330 0.2330 0.3975 0.3975 0.4737 0.4737 1.7078 1.7078 1.7087 1.7087 1.7668 1.7668 2.1551 2.1551 2.2884 2.2884 2.3279 2.3279 2.4812 2.4812 2.5378 2.5378 2.5882 2.5882 4.8452 4.8452 4.8832 4.8832 4.9059 4.9059 7.1227 7.1227 7.1995 7.1995 8.6123 8.6123 9.5825 9.5825 k = 0.1250-0.0722 0.1021 ( 19895 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6727 -21.6727 -21.6664 -21.6664 -11.1746 -11.1746 -10.4866 -10.4866 -10.4786 -10.4786 -10.4756 -10.4756 -10.3878 -10.3878 -10.3729 -10.3729 -6.4367 -6.4367 -6.3796 -6.3796 -5.5913 -5.5913 -5.5876 -5.5876 -5.5159 -5.5159 -5.5121 -5.5121 -0.9467 -0.9467 0.0432 0.0432 0.0829 0.0829 0.1202 0.1202 0.1275 0.1275 0.2260 0.2260 0.2395 0.2395 0.3973 0.3973 0.4883 0.4883 1.6990 1.6990 1.7004 1.7004 1.7581 1.7581 2.1334 2.1334 2.2701 2.2701 2.3178 2.3178 2.4636 2.4636 2.5186 2.5186 2.5858 2.5858 4.8438 4.8438 4.8938 4.8938 4.9163 4.9163 7.1001 7.1001 7.1994 7.1994 8.6628 8.6628 9.6148 9.6148 k = 0.1406-0.0812 0.1148 ( 19895 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6726 -21.6726 -21.6665 -21.6665 -11.1708 -11.1708 -10.4891 -10.4891 -10.4799 -10.4799 -10.4767 -10.4767 -10.3913 -10.3913 -10.3726 -10.3726 -6.4337 -6.4337 -6.3785 -6.3785 -5.5881 -5.5881 -5.5834 -5.5834 -5.5151 -5.5151 -5.5103 -5.5103 -0.9286 -0.9286 0.0324 0.0324 0.0670 0.0670 0.1288 0.1288 0.1314 0.1314 0.2319 0.2319 0.2468 0.2468 0.3971 0.3971 0.5024 0.5024 1.6893 1.6893 1.6913 1.6913 1.7484 1.7484 2.1079 2.1079 2.2518 2.2518 2.3067 2.3067 2.4436 2.4436 2.4974 2.4974 2.5836 2.5836 4.8422 4.8422 4.9054 4.9054 4.9278 4.9278 7.0752 7.0752 7.1992 7.1992 8.7191 8.7191 9.6510 9.6510 k = 0.1562-0.0902 0.1276 ( 19899 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6725 -21.6725 -21.6666 -21.6666 -11.1666 -11.1666 -10.4919 -10.4919 -10.4812 -10.4812 -10.4778 -10.4778 -10.3952 -10.3952 -10.3722 -10.3722 -6.4305 -6.4305 -6.3773 -6.3773 -5.5846 -5.5846 -5.5790 -5.5790 -5.5142 -5.5142 -5.5084 -5.5084 -0.9088 -0.9088 0.0207 0.0207 0.0494 0.0494 0.1380 0.1380 0.1383 0.1383 0.2385 0.2385 0.2547 0.2547 0.3969 0.3969 0.5159 0.5159 1.6785 1.6785 1.6815 1.6815 1.7378 1.7378 2.0786 2.0786 2.2338 2.2338 2.2949 2.2949 2.4215 2.4215 2.4744 2.4744 2.5816 2.5816 4.8402 4.8402 4.9178 4.9178 4.9403 4.9403 7.0482 7.0482 7.1990 7.1990 8.7809 8.7809 9.6909 9.6909 k = 0.1719-0.0992 0.1403 ( 19907 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6724 -21.6724 -21.6667 -21.6667 -11.1621 -11.1621 -10.4949 -10.4949 -10.4825 -10.4825 -10.4790 -10.4790 -10.3994 -10.3994 -10.3719 -10.3719 -6.4271 -6.4271 -6.3761 -6.3761 -5.5810 -5.5810 -5.5742 -5.5742 -5.5132 -5.5132 -5.5063 -5.5063 -0.8875 -0.8875 0.0082 0.0082 0.0317 0.0317 0.1461 0.1461 0.1485 0.1485 0.2456 0.2456 0.2633 0.2633 0.3966 0.3966 0.5287 0.5287 1.6669 1.6669 1.6711 1.6711 1.7265 1.7265 2.0458 2.0458 2.2163 2.2163 2.2824 2.2824 2.3973 2.3973 2.4497 2.4497 2.5798 2.5798 4.8381 4.8381 4.9310 4.9310 4.9536 4.9536 7.0193 7.0193 7.1988 7.1988 8.8479 8.8479 9.7344 9.7344 k = 0.1875-0.1083 0.1531 ( 19915 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6723 -21.6723 -21.6668 -21.6668 -11.1573 -11.1573 -10.4981 -10.4981 -10.4838 -10.4838 -10.4803 -10.4803 -10.4040 -10.4040 -10.3715 -10.3715 -6.4236 -6.4236 -6.3748 -6.3748 -5.5771 -5.5771 -5.5691 -5.5691 -5.5122 -5.5122 -5.5042 -5.5042 -0.8648 -0.8648 -0.0050 -0.0050 0.0143 0.0143 0.1553 0.1553 0.1594 0.1594 0.2533 0.2533 0.2724 0.2724 0.3964 0.3964 0.5406 0.5406 1.6546 1.6546 1.6601 1.6601 1.7145 1.7145 2.0098 2.0098 2.1994 2.1994 2.2692 2.2692 2.3715 2.3715 2.4236 2.4236 2.5781 2.5781 4.8359 4.8359 4.9447 4.9447 4.9675 4.9675 6.9889 6.9889 7.1986 7.1986 8.9195 8.9195 9.7813 9.7813 k = 0.2031-0.1173 0.1659 ( 19895 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6722 -21.6722 -21.6668 -21.6668 -11.1523 -11.1523 -10.5015 -10.5015 -10.4852 -10.4852 -10.4817 -10.4817 -10.4088 -10.4088 -10.3711 -10.3711 -6.4198 -6.4198 -6.3734 -6.3734 -5.5730 -5.5730 -5.5638 -5.5638 -5.5111 -5.5111 -5.5019 -5.5019 -0.8409 -0.8409 -0.0187 -0.0187 -0.0023 -0.0023 0.1654 0.1654 0.1709 0.1709 0.2615 0.2615 0.2820 0.2820 0.3962 0.3962 0.5517 0.5517 1.6416 1.6416 1.6487 1.6487 1.7020 1.7020 1.9711 1.9711 2.1830 2.1830 2.2555 2.2555 2.3443 2.3443 2.3963 2.3963 2.5764 2.5764 4.8336 4.8336 4.9587 4.9587 4.9819 4.9819 6.9573 6.9573 7.1984 7.1984 8.9955 8.9955 9.8314 9.8314 k = 0.2188-0.1263 0.1786 ( 19903 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6721 -21.6721 -21.6669 -21.6669 -11.1470 -11.1470 -10.5049 -10.5049 -10.4865 -10.4865 -10.4831 -10.4831 -10.4139 -10.4139 -10.3706 -10.3706 -6.4160 -6.4160 -6.3720 -6.3720 -5.5689 -5.5689 -5.5583 -5.5583 -5.5100 -5.5100 -5.4996 -5.4996 -0.8161 -0.8161 -0.0328 -0.0328 -0.0179 -0.0179 0.1762 0.1762 0.1829 0.1829 0.2703 0.2703 0.2920 0.2920 0.3960 0.3960 0.5619 0.5619 1.6280 1.6280 1.6370 1.6370 1.6890 1.6890 1.9303 1.9303 2.1672 2.1672 2.2413 2.2413 2.3159 2.3159 2.3684 2.3684 2.5749 2.5749 4.8312 4.8312 4.9731 4.9731 4.9965 4.9965 6.9247 6.9247 7.1981 7.1981 9.0755 9.0755 9.8845 9.8845 k = 0.2344-0.1353 0.1914 ( 19915 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6719 -21.6719 -21.6670 -21.6670 -11.1416 -11.1416 -10.5083 -10.5083 -10.4879 -10.4879 -10.4845 -10.4845 -10.4192 -10.4192 -10.3702 -10.3702 -6.4121 -6.4121 -6.3706 -6.3706 -5.5646 -5.5646 -5.5527 -5.5527 -5.5089 -5.5089 -5.4972 -5.4972 -0.7905 -0.7905 -0.0472 -0.0472 -0.0323 -0.0323 0.1876 0.1876 0.1953 0.1953 0.2795 0.2795 0.3023 0.3023 0.3959 0.3959 0.5712 0.5712 1.6140 1.6140 1.6251 1.6251 1.6757 1.6757 1.8878 1.8878 2.1517 2.1517 2.2263 2.2263 2.2867 2.2867 2.3401 2.3401 2.5734 2.5734 4.8287 4.8287 4.9875 4.9875 5.0113 5.0113 6.8916 6.8916 7.1979 7.1979 9.1588 9.1588 9.9403 9.9403 k = 0.2500-0.1443 0.2041 ( 19979 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6718 -21.6718 -21.6671 -21.6671 -11.1360 -11.1360 -10.5117 -10.5117 -10.4893 -10.4893 -10.4859 -10.4859 -10.4247 -10.4247 -10.3698 -10.3698 -6.4081 -6.4081 -6.3692 -6.3692 -5.5603 -5.5603 -5.5471 -5.5471 -5.5077 -5.5077 -5.4949 -5.4949 -0.7646 -0.7646 -0.0617 -0.0617 -0.0453 -0.0453 0.1997 0.1997 0.2079 0.2079 0.2891 0.2891 0.3127 0.3127 0.3958 0.3958 0.5795 0.5795 1.5997 1.5997 1.6132 1.6132 1.6623 1.6623 1.8442 1.8442 2.1364 2.1364 2.2106 2.2106 2.2571 2.2571 2.3120 2.3120 2.5719 2.5719 4.8263 4.8263 5.0019 5.0019 5.0261 5.0261 6.8583 6.8583 7.1977 7.1977 9.2451 9.2451 9.9986 9.9986 k = 0.2656-0.1534 0.2169 ( 19923 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6717 -21.6717 -21.6672 -21.6672 -11.1303 -11.1303 -10.5151 -10.5151 -10.4907 -10.4907 -10.4873 -10.4873 -10.4303 -10.4303 -10.3693 -10.3693 -6.4041 -6.4041 -6.3677 -6.3677 -5.5560 -5.5560 -5.5414 -5.5414 -5.5066 -5.5066 -5.4925 -5.4925 -0.7385 -0.7385 -0.0763 -0.0763 -0.0567 -0.0567 0.2122 0.2122 0.2206 0.2206 0.2990 0.2990 0.3233 0.3233 0.3958 0.3958 0.5870 0.5870 1.5853 1.5853 1.6014 1.6014 1.6489 1.6489 1.8000 1.8000 2.1211 2.1211 2.1936 2.1936 2.2276 2.2276 2.2850 2.2850 2.5705 2.5705 4.8239 4.8239 5.0161 5.0161 5.0407 5.0407 6.8250 6.8250 7.1974 7.1974 9.3337 9.3337 10.0591 10.0591 k = 0.2812-0.1624 0.2296 ( 19939 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6715 -21.6715 -21.6673 -21.6673 -11.1246 -11.1246 -10.5184 -10.5184 -10.4920 -10.4920 -10.4887 -10.4887 -10.4360 -10.4360 -10.3689 -10.3689 -6.4002 -6.4002 -6.3663 -6.3663 -5.5518 -5.5518 -5.5357 -5.5357 -5.5054 -5.5054 -5.4902 -5.4902 -0.7126 -0.7126 -0.0907 -0.0907 -0.0663 -0.0663 0.2252 0.2252 0.2334 0.2334 0.3091 0.3091 0.3337 0.3337 0.3958 0.3958 0.5935 0.5935 1.5708 1.5708 1.5897 1.5897 1.6355 1.6355 1.7556 1.7556 2.1055 2.1055 2.1748 2.1748 2.1988 2.1988 2.2598 2.2598 2.5692 2.5692 4.8215 4.8215 5.0301 5.0301 5.0550 5.0550 6.7921 6.7921 7.1972 7.1972 9.4241 9.4241 10.1214 10.1214 k = 0.2969-0.1714 0.2424 ( 19911 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6714 -21.6714 -21.6674 -21.6674 -11.1189 -11.1189 -10.5215 -10.5215 -10.4933 -10.4933 -10.4901 -10.4901 -10.4418 -10.4418 -10.3684 -10.3684 -6.3963 -6.3963 -6.3649 -6.3649 -5.5476 -5.5476 -5.5302 -5.5302 -5.5043 -5.5043 -5.4879 -5.4879 -0.6873 -0.6873 -0.1048 -0.1048 -0.0741 -0.0741 0.2385 0.2385 0.2459 0.2459 0.3194 0.3194 0.3439 0.3439 0.3960 0.3960 0.5992 0.5992 1.5564 1.5564 1.5784 1.5784 1.6225 1.6225 1.7116 1.7116 2.0889 2.0889 2.1538 2.1538 2.1716 2.1716 2.2374 2.2374 2.5680 2.5680 4.8192 4.8192 5.0436 5.0436 5.0689 5.0689 6.7600 6.7600 7.1970 7.1970 9.5157 9.5157 10.1851 10.1851 k = 0.3125-0.1804 0.2552 ( 19911 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6713 -21.6713 -21.6675 -21.6675 -11.1133 -11.1133 -10.5245 -10.5245 -10.4946 -10.4946 -10.4914 -10.4914 -10.4475 -10.4475 -10.3680 -10.3680 -6.3926 -6.3926 -6.3636 -6.3636 -5.5435 -5.5435 -5.5248 -5.5248 -5.5032 -5.5032 -5.4857 -5.4857 -0.6629 -0.6629 -0.1185 -0.1185 -0.0798 -0.0798 0.2520 0.2520 0.2582 0.2582 0.3297 0.3297 0.3537 0.3537 0.3965 0.3965 0.6042 0.6042 1.5420 1.5420 1.5675 1.5675 1.6099 1.6099 1.6686 1.6686 2.0708 2.0708 2.1305 2.1305 2.1470 2.1470 2.2181 2.2181 2.5667 2.5667 4.8170 4.8170 5.0566 5.0566 5.0822 5.0822 6.7289 6.7289 7.1968 7.1968 9.6076 9.6076 10.2499 10.2499 k = 0.3281-0.1894 0.2679 ( 19899 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6712 -21.6712 -21.6676 -21.6676 -11.1078 -11.1078 -10.5273 -10.5273 -10.4959 -10.4959 -10.4927 -10.4927 -10.4532 -10.4532 -10.3676 -10.3676 -6.3890 -6.3890 -6.3623 -6.3623 -5.5396 -5.5396 -5.5196 -5.5196 -5.5021 -5.5021 -5.4835 -5.4835 -0.6398 -0.6398 -0.1317 -0.1317 -0.0835 -0.0835 0.2657 0.2657 0.2701 0.2701 0.3397 0.3397 0.3630 0.3630 0.3972 0.3972 0.6083 0.6083 1.5273 1.5273 1.5572 1.5572 1.5978 1.5978 1.6274 1.6274 2.0504 2.0504 2.1055 2.1055 2.1259 2.1259 2.2018 2.2018 2.5656 2.5656 4.8150 4.8150 5.0689 5.0689 5.0949 5.0949 6.6991 6.6991 7.1966 7.1966 9.6990 9.6990 10.3152 10.3152 k = 0.3438-0.1985 0.2807 ( 19899 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6711 -21.6711 -21.6677 -21.6677 -11.1025 -11.1025 -10.5299 -10.5299 -10.4970 -10.4970 -10.4939 -10.4939 -10.4587 -10.4587 -10.3673 -10.3673 -6.3855 -6.3855 -6.3611 -6.3611 -5.5359 -5.5359 -5.5147 -5.5147 -5.5011 -5.5011 -5.4815 -5.4815 -0.6183 -0.6183 -0.1441 -0.1441 -0.0850 -0.0850 0.2794 0.2794 0.2813 0.2813 0.3493 0.3493 0.3716 0.3716 0.3983 0.3983 0.6118 0.6118 1.5118 1.5118 1.5475 1.5475 1.5865 1.5865 1.5894 1.5894 2.0279 2.0279 2.0795 2.0795 2.1086 2.1086 2.1881 2.1881 2.5646 2.5646 4.8130 4.8130 5.0805 5.0805 5.1069 5.1069 6.6709 6.6709 7.1963 7.1963 9.7891 9.7891 10.3804 10.3804 k = 0.3594-0.2075 0.2934 ( 19914 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6709 -21.6709 -21.6678 -21.6678 -11.0975 -11.0975 -10.5323 -10.5323 -10.4981 -10.4981 -10.4950 -10.4950 -10.4640 -10.4640 -10.3669 -10.3669 -6.3823 -6.3823 -6.3600 -6.3600 -5.5324 -5.5324 -5.5101 -5.5101 -5.5001 -5.5001 -5.4797 -5.4797 -0.5987 -0.5987 -0.1558 -0.1558 -0.0845 -0.0845 0.2919 0.2919 0.2930 0.2930 0.3579 0.3579 0.3793 0.3793 0.4000 0.4000 0.6146 0.6146 1.4939 1.4939 1.5386 1.5386 1.5567 1.5567 1.5759 1.5759 2.0041 2.0041 2.0535 2.0535 2.0947 2.0947 2.1764 2.1764 2.5636 2.5636 4.8112 4.8112 5.0913 5.0913 5.1180 5.1180 6.6446 6.6446 7.1962 7.1962 9.8766 9.8766 10.4450 10.4450 k = 0.3750-0.2165 0.3062 ( 19910 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6709 -21.6709 -21.6679 -21.6679 -11.0928 -11.0928 -10.5344 -10.5344 -10.4992 -10.4992 -10.4961 -10.4961 -10.4690 -10.4690 -10.3666 -10.3666 -6.3794 -6.3794 -6.3590 -6.3590 -5.5292 -5.5292 -5.5060 -5.5060 -5.4991 -5.4991 -5.4779 -5.4779 -0.5812 -0.5812 -0.1666 -0.1666 -0.0822 -0.0822 0.3018 0.3018 0.3064 0.3064 0.3653 0.3653 0.3860 0.3860 0.4027 0.4027 0.6168 0.6168 1.4714 1.4714 1.5305 1.5305 1.5319 1.5319 1.5663 1.5663 1.9800 1.9800 2.0283 2.0283 2.0834 2.0834 2.1664 2.1664 2.5627 2.5627 4.8096 4.8096 5.1011 5.1011 5.1281 5.1281 6.6203 6.6203 7.1960 7.1960 9.9605 9.9605 10.5080 10.5080 k = 0.3906-0.2255 0.3189 ( 19910 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6708 -21.6708 -21.6679 -21.6679 -11.0885 -11.0885 -10.5362 -10.5362 -10.5001 -10.5001 -10.4970 -10.4970 -10.4737 -10.4737 -10.3663 -10.3663 -6.3767 -6.3767 -6.3580 -6.3580 -5.5263 -5.5263 -5.5024 -5.5024 -5.4979 -5.4979 -5.4764 -5.4764 -0.5660 -0.5660 -0.1764 -0.1764 -0.0783 -0.0783 0.3107 0.3107 0.3194 0.3194 0.3710 0.3710 0.3915 0.3915 0.4064 0.4064 0.6186 0.6186 1.4451 1.4451 1.5151 1.5151 1.5233 1.5233 1.5576 1.5576 1.9566 1.9566 2.0044 2.0044 2.0741 2.0741 2.1579 2.1579 2.5619 2.5619 4.8081 4.8081 5.1100 5.1100 5.1373 5.1373 6.5984 6.5984 7.1958 7.1958 10.0394 10.0394 10.5687 10.5687 k = 0.4062-0.2345 0.3317 ( 19914 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6707 -21.6707 -21.6680 -21.6680 -11.0846 -11.0846 -10.5377 -10.5377 -10.5010 -10.5010 -10.4979 -10.4979 -10.4780 -10.4780 -10.3660 -10.3660 -6.3743 -6.3743 -6.3572 -6.3572 -5.5237 -5.5237 -5.4999 -5.4999 -5.4963 -5.4963 -5.4750 -5.4750 -0.5531 -0.5531 -0.1850 -0.1850 -0.0733 -0.0733 0.3187 0.3187 0.3320 0.3320 0.3750 0.3750 0.3956 0.3956 0.4109 0.4109 0.6199 0.6199 1.4179 1.4179 1.5037 1.5037 1.5171 1.5171 1.5501 1.5501 1.9348 1.9348 1.9824 1.9824 2.0665 2.0665 2.1506 2.1506 2.5611 2.5611 4.8068 4.8068 5.1178 5.1178 5.1453 5.1453 6.5790 6.5790 7.1957 7.1957 10.1120 10.1120 10.6258 10.6258 k = 0.4219-0.2436 0.3445 ( 19922 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6706 -21.6706 -21.6680 -21.6680 -11.0812 -11.0812 -10.5390 -10.5390 -10.5018 -10.5018 -10.4986 -10.4986 -10.4817 -10.4817 -10.3658 -10.3658 -6.3723 -6.3723 -6.3565 -6.3565 -5.5215 -5.5215 -5.4985 -5.4985 -5.4941 -5.4941 -5.4738 -5.4738 -0.5425 -0.5425 -0.1925 -0.1925 -0.0676 -0.0676 0.3256 0.3256 0.3439 0.3439 0.3777 0.3777 0.3984 0.3984 0.4159 0.4159 0.6209 0.6209 1.3924 1.3924 1.4956 1.4956 1.5119 1.5119 1.5436 1.5436 1.9152 1.9152 1.9629 1.9629 2.0602 2.0602 2.1445 2.1445 2.5605 2.5605 4.8057 4.8057 5.1245 5.1245 5.1522 5.1522 6.5623 6.5623 7.1956 7.1956 10.1767 10.1767 10.6781 10.6781 k = 0.4375-0.2526 0.3572 ( 19930 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6706 -21.6706 -21.6681 -21.6681 -11.0784 -11.0784 -10.5400 -10.5400 -10.5024 -10.5024 -10.4992 -10.4992 -10.4849 -10.4849 -10.3656 -10.3656 -6.3706 -6.3706 -6.3559 -6.3559 -5.5196 -5.5196 -5.4977 -5.4977 -5.4919 -5.4919 -5.4728 -5.4728 -0.5341 -0.5341 -0.1987 -0.1987 -0.0619 -0.0619 0.3314 0.3314 0.3550 0.3550 0.3793 0.3793 0.3996 0.3996 0.4208 0.4208 0.6215 0.6215 1.3702 1.3702 1.4897 1.4897 1.5076 1.5076 1.5384 1.5384 1.8983 1.8983 1.9462 1.9462 2.0553 2.0553 2.1396 2.1396 2.5600 2.5600 4.8048 4.8048 5.1301 5.1301 5.1579 5.1579 6.5485 6.5485 7.1955 7.1955 10.2322 10.2322 10.7240 10.7240 k = 0.4531-0.2616 0.3700 ( 19918 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6705 -21.6705 -21.6681 -21.6681 -11.0761 -11.0761 -10.5407 -10.5407 -10.5030 -10.5030 -10.4997 -10.4997 -10.4874 -10.4874 -10.3655 -10.3655 -6.3692 -6.3692 -6.3554 -6.3554 -5.5182 -5.5182 -5.4971 -5.4971 -5.4901 -5.4901 -5.4721 -5.4721 -0.5278 -0.5278 -0.2036 -0.2036 -0.0567 -0.0567 0.3360 0.3360 0.3652 0.3652 0.3804 0.3804 0.3993 0.3993 0.4249 0.4249 0.6220 0.6220 1.3521 1.3521 1.4856 1.4856 1.5043 1.5043 1.5343 1.5343 1.8846 1.8846 1.9327 1.9327 2.0515 2.0515 2.1358 2.1358 2.5596 2.5596 4.8041 4.8041 5.1344 5.1344 5.1624 5.1624 6.5375 6.5375 7.1954 7.1954 10.2770 10.2770 10.7621 10.7621 k = 0.4688-0.2706 0.3827 ( 19942 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6705 -21.6705 -21.6681 -21.6681 -11.0745 -11.0745 -10.5412 -10.5412 -10.5034 -10.5034 -10.5000 -10.5000 -10.4892 -10.4892 -10.3653 -10.3653 -6.3682 -6.3682 -6.3551 -6.3551 -5.5171 -5.5171 -5.4968 -5.4968 -5.4887 -5.4887 -5.4715 -5.4715 -0.5233 -0.5233 -0.2072 -0.2072 -0.0526 -0.0526 0.3393 0.3393 0.3743 0.3743 0.3809 0.3809 0.3973 0.3973 0.4281 0.4281 0.6222 0.6222 1.3388 1.3388 1.4828 1.4828 1.5020 1.5020 1.5314 1.5314 1.8745 1.8745 1.9229 1.9229 2.0488 2.0488 2.1331 2.1331 2.5593 2.5593 4.8036 4.8036 5.1376 5.1376 5.1657 5.1657 6.5297 6.5297 7.1953 7.1953 10.3099 10.3099 10.7907 10.7907 k = 0.4844-0.2797 0.3955 ( 19942 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6705 -21.6705 -21.6682 -21.6682 -11.0735 -11.0735 -10.5415 -10.5415 -10.5036 -10.5036 -10.5002 -10.5002 -10.4903 -10.4903 -10.3653 -10.3653 -6.3677 -6.3677 -6.3549 -6.3549 -5.5165 -5.5165 -5.4966 -5.4966 -5.4879 -5.4879 -5.4712 -5.4712 -0.5207 -0.5207 -0.2093 -0.2093 -0.0499 -0.0499 0.3413 0.3413 0.3813 0.3813 0.3822 0.3822 0.3938 0.3938 0.4301 0.4301 0.6224 0.6224 1.3306 1.3306 1.4812 1.4812 1.5006 1.5006 1.5296 1.5296 1.8683 1.8683 1.9169 1.9169 2.0472 2.0472 2.1315 2.1315 2.5592 2.5592 4.8032 4.8032 5.1395 5.1395 5.1676 5.1676 6.5249 6.5249 7.1953 7.1953 10.3301 10.3301 10.8085 10.8085 k = 0.5000-0.2887 0.4082 ( 19902 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6705 -21.6705 -21.6682 -21.6682 -11.0731 -11.0731 -10.5416 -10.5416 -10.5037 -10.5037 -10.5003 -10.5003 -10.4907 -10.4907 -10.3653 -10.3653 -6.3675 -6.3675 -6.3548 -6.3548 -5.5162 -5.5162 -5.4965 -5.4965 -5.4876 -5.4876 -5.4711 -5.4711 -0.5199 -0.5199 -0.2100 -0.2100 -0.0490 -0.0490 0.3420 0.3420 0.3814 0.3814 0.3884 0.3884 0.3890 0.3890 0.4308 0.4308 0.6224 0.6224 1.3279 1.3279 1.4807 1.4807 1.5001 1.5001 1.5291 1.5291 1.8662 1.8662 1.9148 1.9148 2.0467 2.0467 2.1309 2.1309 2.5591 2.5591 4.8031 4.8031 5.1401 5.1401 5.1683 5.1683 6.5233 6.5233 7.1953 7.1953 10.3369 10.3369 10.8146 10.8146 k = 0.5000-0.2887 0.4082 ( 19902 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6705 -21.6705 -21.6682 -21.6682 -11.0731 -11.0731 -10.5416 -10.5416 -10.5037 -10.5037 -10.5003 -10.5003 -10.4907 -10.4907 -10.3653 -10.3653 -6.3675 -6.3675 -6.3548 -6.3548 -5.5162 -5.5162 -5.4965 -5.4965 -5.4876 -5.4876 -5.4711 -5.4711 -0.5199 -0.5199 -0.2100 -0.2100 -0.0490 -0.0490 0.3420 0.3420 0.3814 0.3814 0.3884 0.3884 0.3890 0.3890 0.4308 0.4308 0.6224 0.6224 1.3279 1.3279 1.4807 1.4807 1.5001 1.5001 1.5291 1.5291 1.8662 1.8662 1.9148 1.9148 2.0467 2.0467 2.1309 2.1309 2.5591 2.5591 4.8031 4.8031 5.1401 5.1401 5.1683 5.1683 6.5233 6.5233 7.1953 7.1953 10.3369 10.3369 10.8146 10.8146 k = 0.5000-0.2706 0.4210 ( 19934 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6705 -21.6705 -21.6682 -21.6682 -11.0731 -11.0731 -10.5433 -10.5433 -10.5031 -10.5031 -10.4992 -10.4992 -10.4907 -10.4907 -10.3654 -10.3654 -6.3674 -6.3674 -6.3548 -6.3548 -5.5162 -5.5162 -5.4965 -5.4965 -5.4876 -5.4876 -5.4712 -5.4712 -0.5191 -0.5191 -0.2090 -0.2090 -0.0502 -0.0502 0.3390 0.3390 0.3753 0.3753 0.3872 0.3872 0.3978 0.3978 0.4307 0.4307 0.6217 0.6217 1.3300 1.3300 1.4810 1.4810 1.4998 1.4998 1.5290 1.5290 1.8676 1.8676 1.9162 1.9162 2.0455 2.0455 2.1297 2.1297 2.5580 2.5580 4.8040 4.8040 5.1397 5.1397 5.1679 5.1679 6.5246 6.5246 7.1942 7.1942 10.3392 10.3392 10.8164 10.8164 k = 0.5000-0.2526 0.4338 ( 19958 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6704 -21.6704 -21.6682 -21.6682 -11.0728 -11.0728 -10.5477 -10.5477 -10.5024 -10.5024 -10.4956 -10.4956 -10.4904 -10.4904 -10.3658 -10.3658 -6.3673 -6.3673 -6.3549 -6.3549 -5.5159 -5.5159 -5.4965 -5.4965 -5.4876 -5.4876 -5.4714 -5.4714 -0.5167 -0.5167 -0.2058 -0.2058 -0.0539 -0.0539 0.3304 0.3304 0.3713 0.3713 0.3834 0.3834 0.4076 0.4076 0.4327 0.4327 0.6197 0.6197 1.3360 1.3360 1.4819 1.4819 1.4989 1.4989 1.5291 1.5291 1.8712 1.8712 1.9207 1.9207 2.0420 2.0420 2.1261 2.1261 2.5545 2.5545 4.8067 4.8067 5.1384 5.1384 5.1667 5.1667 6.5284 6.5284 7.1911 7.1911 10.3463 10.3463 10.8219 10.8219 k = 0.5000-0.2345 0.4465 ( 19948 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6704 -21.6704 -21.6682 -21.6682 -11.0725 -11.0725 -10.5536 -10.5536 -10.5021 -10.5021 -10.4921 -10.4921 -10.4880 -10.4880 -10.3665 -10.3665 -6.3672 -6.3672 -6.3551 -6.3551 -5.5155 -5.5155 -5.4965 -5.4965 -5.4877 -5.4877 -5.4719 -5.4719 -0.5126 -0.5126 -0.2005 -0.2005 -0.0599 -0.0599 0.3185 0.3185 0.3710 0.3710 0.3759 0.3759 0.4111 0.4111 0.4413 0.4413 0.6164 0.6164 1.3457 1.3457 1.4830 1.4830 1.4976 1.4976 1.5299 1.5299 1.8755 1.8755 1.9293 1.9293 2.0363 2.0363 2.1202 2.1202 2.5487 2.5487 4.8112 4.8112 5.1361 5.1361 5.1651 5.1651 6.5347 6.5347 7.1858 7.1858 10.3581 10.3581 10.8310 10.8310 k = 0.5000-0.2165 0.4593 ( 19956 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6704 -21.6704 -21.6682 -21.6682 -11.0720 -11.0720 -10.5601 -10.5601 -10.5018 -10.5018 -10.4917 -10.4917 -10.4817 -10.4817 -10.3674 -10.3674 -6.3670 -6.3670 -6.3553 -6.3553 -5.5148 -5.5148 -5.4965 -5.4965 -5.4877 -5.4877 -5.4726 -5.4726 -0.5071 -0.5071 -0.1932 -0.1932 -0.0682 -0.0682 0.3055 0.3055 0.3636 0.3636 0.3737 0.3737 0.4106 0.4106 0.4546 0.4546 0.6117 0.6117 1.3582 1.3582 1.4839 1.4839 1.4966 1.4966 1.5321 1.5321 1.8794 1.8794 1.9428 1.9428 2.0282 2.0282 2.1122 2.1122 2.5406 2.5406 4.8173 4.8173 5.1324 5.1324 5.1632 5.1632 6.5432 6.5432 7.1787 7.1787 10.3745 10.3745 10.8436 10.8436 k = 0.5000-0.1985 0.4720 ( 19938 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6703 -21.6703 -21.6683 -21.6683 -11.0714 -11.0714 -10.5667 -10.5667 -10.5016 -10.5016 -10.4917 -10.4917 -10.4746 -10.4746 -10.3686 -10.3686 -6.3667 -6.3667 -6.3555 -6.3555 -5.5141 -5.5141 -5.4966 -5.4966 -5.4878 -5.4878 -5.4734 -5.4734 -0.5000 -0.5000 -0.1838 -0.1838 -0.0788 -0.0788 0.2926 0.2926 0.3474 0.3474 0.3775 0.3775 0.4095 0.4095 0.4691 0.4691 0.6058 0.6058 1.3725 1.3725 1.4839 1.4839 1.4970 1.4970 1.5361 1.5361 1.8821 1.8821 1.9610 1.9610 2.0180 2.0180 2.1023 2.1023 2.5303 2.5303 4.8251 4.8251 5.1271 5.1271 5.1614 5.1614 6.5539 6.5539 7.1696 7.1696 10.3955 10.3955 10.8596 10.8596 k = 0.5000-0.1804 0.4848 ( 19942 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6703 -21.6703 -21.6684 -21.6684 -11.0707 -11.0707 -10.5733 -10.5733 -10.5014 -10.5014 -10.4919 -10.4919 -10.4672 -10.4672 -10.3701 -10.3701 -6.3664 -6.3664 -6.3558 -6.3558 -5.5132 -5.5132 -5.4966 -5.4966 -5.4879 -5.4879 -5.4743 -5.4743 -0.4915 -0.4915 -0.1725 -0.1725 -0.0913 -0.0913 0.2800 0.2800 0.3281 0.3281 0.3827 0.3827 0.4088 0.4088 0.4833 0.4833 0.5986 0.5986 1.3870 1.3870 1.4827 1.4827 1.5001 1.5001 1.5424 1.5424 1.8838 1.8838 1.9830 1.9830 2.0058 2.0058 2.0908 2.0908 2.5178 2.5178 4.8344 4.8344 5.1202 5.1202 5.1599 5.1599 6.5665 6.5665 7.1590 7.1590 10.4210 10.4210 10.8788 10.8788 k = 0.5000-0.1624 0.4976 ( 19948 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6702 -21.6702 -21.6684 -21.6684 -11.0700 -11.0700 -10.5796 -10.5796 -10.5011 -10.5011 -10.4921 -10.4921 -10.4599 -10.4599 -10.3719 -10.3719 -6.3660 -6.3660 -6.3562 -6.3562 -5.5121 -5.5121 -5.4966 -5.4966 -5.4879 -5.4879 -5.4754 -5.4754 -0.4817 -0.4817 -0.1592 -0.1592 -0.1054 -0.1054 0.2672 0.2672 0.3071 0.3071 0.3889 0.3889 0.4083 0.4083 0.4966 0.4966 0.5904 0.5904 1.3999 1.3999 1.4806 1.4806 1.5071 1.5071 1.5510 1.5510 1.8848 1.8848 1.9895 1.9895 2.0098 2.0098 2.0780 2.0780 2.5032 2.5032 4.8451 4.8451 5.1116 5.1116 5.1587 5.1587 6.5807 6.5807 7.1468 7.1468 10.4508 10.4508 10.9010 10.9010 k = 0.5000-0.1443 0.5103 ( 19934 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6701 -21.6701 -21.6685 -21.6685 -11.0692 -11.0692 -10.5856 -10.5856 -10.5008 -10.5008 -10.4924 -10.4924 -10.4527 -10.4527 -10.3739 -10.3739 -6.3656 -6.3656 -6.3566 -6.3566 -5.5109 -5.5109 -5.4967 -5.4967 -5.4880 -5.4880 -5.4766 -5.4766 -0.4706 -0.4706 -0.1446 -0.1446 -0.1206 -0.1206 0.2527 0.2527 0.2870 0.2870 0.3960 0.3960 0.4081 0.4081 0.5088 0.5088 0.5814 0.5814 1.4099 1.4099 1.4779 1.4779 1.5185 1.5185 1.5619 1.5619 1.8854 1.8854 1.9730 1.9730 2.0369 2.0369 2.0646 2.0646 2.4864 2.4864 4.8571 4.8571 5.1014 5.1014 5.1578 5.1578 6.5961 6.5961 7.1336 7.1336 10.4849 10.4849 10.9259 10.9259 k = 0.5000-0.1263 0.5231 ( 19936 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6700 -21.6700 -21.6686 -21.6686 -11.0684 -11.0684 -10.5911 -10.5911 -10.5005 -10.5005 -10.4927 -10.4927 -10.4456 -10.4456 -10.3763 -10.3763 -6.3652 -6.3652 -6.3570 -6.3570 -5.5096 -5.5096 -5.4968 -5.4968 -5.4881 -5.4881 -5.4779 -5.4779 -0.4586 -0.4586 -0.1406 -0.1406 -0.1245 -0.1245 0.2335 0.2335 0.2712 0.2712 0.4036 0.4036 0.4085 0.4085 0.5194 0.5194 0.5718 0.5718 1.4166 1.4166 1.4748 1.4748 1.5336 1.5336 1.5756 1.5756 1.8858 1.8858 1.9539 1.9539 2.0497 2.0497 2.0673 2.0673 2.4676 2.4676 4.8702 4.8702 5.0898 5.0898 5.1571 5.1571 6.6123 6.6123 7.1195 7.1195 10.5230 10.5230 10.9532 10.9532 k = 0.5000-0.1083 0.5358 ( 19934 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6700 -21.6700 -21.6687 -21.6687 -11.0677 -11.0677 -10.5960 -10.5960 -10.5002 -10.5002 -10.4930 -10.4930 -10.4388 -10.4388 -10.3789 -10.3789 -6.3647 -6.3647 -6.3575 -6.3575 -5.5082 -5.5082 -5.4969 -5.4969 -5.4882 -5.4882 -5.4792 -5.4792 -0.4457 -0.4457 -0.1568 -0.1568 -0.1069 -0.1069 0.2093 0.2093 0.2605 0.2605 0.4072 0.4072 0.4138 0.4138 0.5275 0.5275 0.5625 0.5625 1.4207 1.4207 1.4716 1.4716 1.5498 1.5498 1.5929 1.5929 1.8859 1.8859 1.9327 1.9327 2.0363 2.0363 2.0976 2.0976 2.4470 2.4470 4.8843 4.8843 5.0771 5.0771 5.1566 5.1566 6.6288 6.6288 7.1050 7.1050 10.5651 10.5651 10.9824 10.9824 k = 0.5000-0.0902 0.5486 ( 19938 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6699 -21.6699 -21.6688 -21.6688 -11.0670 -11.0670 -10.6003 -10.6003 -10.4999 -10.4999 -10.4933 -10.4933 -10.4323 -10.4323 -10.3818 -10.3818 -6.3642 -6.3642 -6.3580 -6.3580 -5.5068 -5.5068 -5.4971 -5.4971 -5.4883 -5.4883 -5.4805 -5.4805 -0.4324 -0.4324 -0.1743 -0.1743 -0.0867 -0.0867 0.1822 0.1822 0.2532 0.2532 0.4075 0.4075 0.4233 0.4233 0.5310 0.5310 0.5559 0.5559 1.4231 1.4231 1.4683 1.4683 1.5648 1.5648 1.6146 1.6146 1.8860 1.8860 1.9096 1.9096 2.0233 2.0233 2.1290 2.1290 2.4245 2.4245 4.8993 4.8993 5.0633 5.0633 5.1562 5.1562 6.6449 6.6449 7.0908 7.0908 10.6109 10.6109 11.0130 11.0130 k = 0.5000-0.0722 0.5613 ( 19932 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6698 -21.6698 -21.6689 -21.6689 -11.0663 -11.0663 -10.6038 -10.6038 -10.4996 -10.4996 -10.4936 -10.4936 -10.4262 -10.4262 -10.3849 -10.3849 -6.3636 -6.3636 -6.3586 -6.3586 -5.5053 -5.5053 -5.4973 -5.4973 -5.4884 -5.4884 -5.4817 -5.4817 -0.4190 -0.4190 -0.1914 -0.1914 -0.0648 -0.0648 0.1539 0.1539 0.2480 0.2480 0.4076 0.4076 0.4336 0.4336 0.5264 0.5264 0.5553 0.5553 1.4248 1.4248 1.4651 1.4651 1.5772 1.5772 1.6400 1.6400 1.8845 1.8845 1.8864 1.8864 2.0115 2.0115 2.1607 2.1607 2.4003 2.4003 4.9149 4.9149 5.0486 5.0486 5.1559 5.1559 6.6600 6.6600 7.0774 7.0774 10.6601 10.6601 11.0441 11.0441 k = 0.5000-0.0541 0.5741 ( 19912 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6696 -21.6696 -21.6690 -21.6690 -11.0658 -11.0658 -10.6067 -10.6067 -10.4993 -10.4993 -10.4938 -10.4938 -10.4205 -10.4205 -10.3883 -10.3883 -6.3631 -6.3631 -6.3591 -6.3591 -5.5039 -5.5039 -5.4977 -5.4977 -5.4885 -5.4885 -5.4827 -5.4827 -0.4065 -0.4065 -0.2071 -0.2071 -0.0414 -0.0414 0.1252 0.1252 0.2442 0.2442 0.4076 0.4076 0.4446 0.4446 0.5166 0.5166 0.5582 0.5582 1.4260 1.4260 1.4622 1.4622 1.5870 1.5870 1.6675 1.6675 1.8589 1.8589 1.8860 1.8860 2.0016 2.0016 2.1925 2.1925 2.3747 2.3747 4.9310 4.9310 5.0333 5.0333 5.1557 5.1557 6.6731 6.6731 7.0656 7.0656 10.7126 10.7126 11.0727 11.0727 k = 0.5000-0.0361 0.5869 ( 19918 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6695 -21.6695 -21.6691 -21.6691 -11.0655 -11.0655 -10.6087 -10.6087 -10.4991 -10.4991 -10.4941 -10.4941 -10.4154 -10.4154 -10.3917 -10.3917 -6.3625 -6.3625 -6.3597 -6.3597 -5.5025 -5.5025 -5.4982 -5.4982 -5.4886 -5.4886 -5.4836 -5.4836 -0.3957 -0.3957 -0.2202 -0.2202 -0.0171 -0.0171 0.0968 0.0968 0.2417 0.2417 0.4077 0.4077 0.4562 0.4562 0.5050 0.5050 0.5612 0.5612 1.4269 1.4269 1.4599 1.4599 1.5942 1.5942 1.6954 1.6954 1.8326 1.8326 1.8859 1.8859 1.9941 1.9941 2.2237 2.2237 2.3480 2.3480 4.9472 4.9472 5.0176 5.0176 5.1556 5.1556 6.6834 6.6834 7.0564 7.0564 10.7680 10.7680 11.0116 11.0116 k = 0.5000-0.0180 0.5996 ( 19904 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6694 -21.6694 -21.6692 -21.6692 -11.0652 -11.0652 -10.6100 -10.6100 -10.4989 -10.4989 -10.4942 -10.4942 -10.4114 -10.4114 -10.3947 -10.3947 -6.3621 -6.3621 -6.3601 -6.3601 -5.5014 -5.5014 -5.4988 -5.4988 -5.4887 -5.4887 -5.4841 -5.4841 -0.3882 -0.3882 -0.2291 -0.2291 0.0074 0.0074 0.0699 0.0699 0.2402 0.2402 0.4077 0.4077 0.4681 0.4681 0.4927 0.4927 0.5632 0.5632 1.4276 1.4276 1.4584 1.4584 1.5986 1.5986 1.7207 1.7207 1.8085 1.8085 1.8859 1.8859 1.9893 1.9893 2.2534 2.2534 2.3210 2.3210 4.9628 4.9628 5.0024 5.0024 5.1555 5.1555 6.6899 6.6899 7.0504 7.0504 10.8260 10.8260 10.9484 10.9484 k = 0.5000 0.0000 0.6124 ( 19908 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6693 -21.6693 -21.6693 -21.6693 -11.0651 -11.0651 -10.6104 -10.6104 -10.4989 -10.4989 -10.4943 -10.4943 -10.4096 -10.4096 -10.3961 -10.3961 -6.3618 -6.3618 -6.3603 -6.3603 -5.5007 -5.5007 -5.4993 -5.4993 -5.4887 -5.4887 -5.4843 -5.4843 -0.3855 -0.3855 -0.2323 -0.2323 0.0236 0.0236 0.0529 0.0529 0.2397 0.2397 0.4077 0.4077 0.4802 0.4802 0.4806 0.4806 0.5638 0.5638 1.4278 1.4278 1.4579 1.4579 1.6001 1.6001 1.7334 1.7334 1.7962 1.7962 1.8859 1.8859 1.9877 1.9877 2.2725 2.2725 2.3028 2.3028 4.9724 4.9724 4.9930 4.9930 5.1555 5.1555 6.6922 6.6922 7.0483 7.0483 10.8835 10.8835 10.8892 10.8892 k = 0.5000 0.0000 0.6124 ( 19908 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6693 -21.6693 -21.6693 -21.6693 -11.0651 -11.0651 -10.6104 -10.6104 -10.4989 -10.4989 -10.4943 -10.4943 -10.4096 -10.4096 -10.3961 -10.3961 -6.3618 -6.3618 -6.3603 -6.3603 -5.5007 -5.5007 -5.4993 -5.4993 -5.4887 -5.4887 -5.4843 -5.4843 -0.3855 -0.3855 -0.2323 -0.2323 0.0236 0.0236 0.0529 0.0529 0.2397 0.2397 0.4077 0.4077 0.4802 0.4802 0.4806 0.4806 0.5638 0.5638 1.4278 1.4278 1.4579 1.4579 1.6001 1.6001 1.7334 1.7334 1.7962 1.7962 1.8859 1.8859 1.9877 1.9877 2.2725 2.2725 2.3028 2.3028 4.9724 4.9724 4.9930 4.9930 5.1555 5.1555 6.6922 6.6922 7.0483 7.0483 10.8835 10.8835 10.8892 10.8892 k = 0.4896 0.0180 0.6124 ( 19909 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6694 -21.6694 -21.6692 -21.6692 -11.0652 -11.0652 -10.6103 -10.6103 -10.4988 -10.4988 -10.4941 -10.4941 -10.4104 -10.4104 -10.3955 -10.3955 -6.3620 -6.3620 -6.3603 -6.3603 -5.5011 -5.5011 -5.4991 -5.4991 -5.4887 -5.4887 -5.4842 -5.4842 -0.3872 -0.3872 -0.2307 -0.2307 0.0154 0.0154 0.0621 0.0621 0.2394 0.2394 0.4071 0.4071 0.4715 0.4715 0.4886 0.4886 0.5644 0.5644 1.4280 1.4280 1.4584 1.4584 1.5992 1.5992 1.7268 1.7268 1.8013 1.8013 1.8872 1.8872 1.9901 1.9901 2.2623 2.2623 2.3126 2.3126 4.9673 4.9673 4.9979 4.9979 5.1552 5.1552 6.6918 6.6918 7.0491 7.0491 10.8442 10.8442 10.9211 10.9211 k = 0.4792 0.0361 0.6124 ( 19919 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6695 -21.6695 -21.6692 -21.6692 -11.0655 -11.0655 -10.6100 -10.6100 -10.4985 -10.4985 -10.4938 -10.4938 -10.4125 -10.4125 -10.3939 -10.3939 -6.3622 -6.3622 -6.3602 -6.3602 -5.5018 -5.5018 -5.4990 -5.4990 -5.4886 -5.4886 -5.4840 -5.4840 -0.3920 -0.3920 -0.2263 -0.2263 0.0019 0.0019 0.0789 0.0789 0.2385 0.2385 0.4051 0.4051 0.4619 0.4619 0.4964 0.4964 0.5660 0.5660 1.4289 1.4289 1.4599 1.4599 1.5969 1.5969 1.7119 1.7119 1.8105 1.8105 1.8908 1.8908 1.9978 1.9978 2.2440 2.2440 2.3293 2.3293 4.9577 4.9577 5.0074 5.0074 5.1543 5.1543 6.6905 6.6905 7.0514 7.0514 10.8011 10.8011 10.9413 10.9413 k = 0.4688 0.0541 0.6124 ( 19915 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6695 -21.6695 -21.6691 -21.6691 -11.0659 -11.0659 -10.6095 -10.6095 -10.4979 -10.4979 -10.4934 -10.4934 -10.4152 -10.4152 -10.3920 -10.3920 -6.3626 -6.3626 -6.3600 -6.3600 -5.5027 -5.5027 -5.4991 -5.4991 -5.4885 -5.4885 -5.4836 -5.4836 -0.3991 -0.3991 -0.2196 -0.2196 -0.0112 -0.0112 0.0973 0.0973 0.2369 0.2369 0.4018 0.4018 0.4524 0.4524 0.5037 0.5037 0.5680 0.5680 1.4303 1.4303 1.4622 1.4622 1.5940 1.5940 1.6938 1.6938 1.8177 1.8177 1.8966 1.8966 2.0107 2.0107 2.2240 2.2240 2.3463 2.3463 4.9473 4.9473 5.0177 5.0177 5.1528 5.1528 6.6884 6.6884 7.0549 7.0549 10.7584 10.7584 10.9467 10.9467 k = 0.4583 0.0722 0.6124 ( 19921 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6696 -21.6696 -21.6691 -21.6691 -11.0663 -11.0663 -10.6090 -10.6090 -10.4973 -10.4973 -10.4927 -10.4927 -10.4184 -10.4184 -10.3900 -10.3900 -6.3630 -6.3630 -6.3599 -6.3599 -5.5037 -5.5037 -5.4994 -5.4994 -5.4884 -5.4884 -5.4831 -5.4831 -0.4075 -0.4075 -0.2116 -0.2116 -0.0231 -0.0231 0.1161 0.1161 0.2346 0.2346 0.3974 0.3974 0.4434 0.4434 0.5103 0.5103 0.5703 0.5703 1.4325 1.4325 1.4651 1.4651 1.5908 1.5908 1.6750 1.6750 1.8212 1.8212 1.9043 1.9043 2.0277 2.0277 2.2036 2.2036 2.3624 2.3624 4.9369 4.9369 5.0282 5.0282 5.1507 5.1507 6.6857 6.6857 7.0593 7.0593 10.7175 10.7175 10.9408 10.9408 k = 0.4479 0.0902 0.6124 ( 19922 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6696 -21.6696 -21.6690 -21.6690 -11.0669 -11.0669 -10.6085 -10.6085 -10.4965 -10.4965 -10.4918 -10.4918 -10.4217 -10.4217 -10.3881 -10.3881 -6.3633 -6.3633 -6.3599 -6.3599 -5.5046 -5.5046 -5.4997 -5.4997 -5.4884 -5.4884 -5.4825 -5.4825 -0.4164 -0.4164 -0.2029 -0.2029 -0.0333 -0.0333 0.1348 0.1348 0.2318 0.2318 0.3918 0.3918 0.4351 0.4351 0.5163 0.5163 0.5726 0.5726 1.4356 1.4356 1.4683 1.4683 1.5874 1.5874 1.6564 1.6564 1.8217 1.8217 1.9137 1.9137 2.0469 2.0469 2.1831 2.1831 2.3773 2.3773 4.9270 4.9270 5.0385 5.0385 5.1481 5.1481 6.6827 6.6827 7.0643 7.0643 10.6793 10.6793 10.9285 10.9285 k = 0.4375 0.1083 0.6124 ( 19932 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6697 -21.6697 -21.6690 -21.6690 -11.0674 -11.0674 -10.6079 -10.6079 -10.4958 -10.4958 -10.4906 -10.4906 -10.4250 -10.4250 -10.3864 -10.3864 -6.3637 -6.3637 -6.3599 -6.3599 -5.5055 -5.5055 -5.5002 -5.5002 -5.4883 -5.4883 -5.4820 -5.4820 -0.4252 -0.4252 -0.1941 -0.1941 -0.0421 -0.0421 0.1528 0.1528 0.2286 0.2286 0.3853 0.3853 0.4278 0.4278 0.5216 0.5216 0.5748 0.5748 1.4396 1.4396 1.4717 1.4717 1.5838 1.5838 1.6387 1.6387 1.8202 1.8202 1.9247 1.9247 2.0666 2.0666 2.1626 2.1626 2.3906 2.3906 4.9178 4.9178 5.0485 5.0485 5.1449 5.1449 6.6795 6.6795 7.0695 7.0695 10.6448 10.6448 10.9134 10.9134 k = 0.4271 0.1263 0.6124 ( 19934 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6697 -21.6697 -21.6689 -21.6689 -11.0679 -11.0679 -10.6074 -10.6074 -10.4953 -10.4953 -10.4892 -10.4892 -10.4282 -10.4282 -10.3849 -10.3849 -6.3640 -6.3640 -6.3599 -6.3599 -5.5063 -5.5063 -5.5006 -5.5006 -5.4883 -5.4883 -5.4815 -5.4815 -0.4333 -0.4333 -0.1857 -0.1857 -0.0493 -0.0493 0.1698 0.1698 0.2253 0.2253 0.3782 0.3782 0.4216 0.4216 0.5261 0.5261 0.5769 0.5769 1.4445 1.4445 1.4749 1.4749 1.5797 1.5797 1.6229 1.6229 1.8176 1.8176 1.9368 1.9368 2.0851 2.0851 2.1426 2.1426 2.4021 2.4021 4.9096 4.9096 5.0580 5.0580 5.1412 5.1412 6.6763 6.6763 7.0746 7.0746 10.6145 10.6145 10.8979 10.8979 k = 0.4167 0.1443 0.6124 ( 19929 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6697 -21.6697 -21.6689 -21.6689 -11.0683 -11.0683 -10.6070 -10.6070 -10.4948 -10.4948 -10.4876 -10.4876 -10.4312 -10.4312 -10.3836 -10.3836 -6.3642 -6.3642 -6.3599 -6.3599 -5.5070 -5.5070 -5.5010 -5.5010 -5.4883 -5.4883 -5.4810 -5.4810 -0.4404 -0.4404 -0.1782 -0.1782 -0.0551 -0.0551 0.1849 0.1849 0.2228 0.2228 0.3707 0.3707 0.4164 0.4164 0.5298 0.5298 0.5786 0.5786 1.4501 1.4501 1.4778 1.4778 1.5743 1.5743 1.6099 1.6099 1.8147 1.8147 1.9498 1.9498 2.1013 2.1013 2.1235 2.1235 2.4118 2.4118 4.9026 4.9026 5.0670 5.0670 5.1371 5.1371 6.6734 6.6734 7.0793 7.0793 10.5892 10.5892 10.8837 10.8837 k = 0.4062 0.1624 0.6124 ( 19944 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6698 -21.6698 -21.6689 -21.6689 -11.0687 -11.0687 -10.6067 -10.6067 -10.4945 -10.4945 -10.4860 -10.4860 -10.4338 -10.4338 -10.3826 -10.3826 -6.3644 -6.3644 -6.3599 -6.3599 -5.5076 -5.5076 -5.5013 -5.5013 -5.4882 -5.4882 -5.4806 -5.4806 -0.4463 -0.4463 -0.1720 -0.1720 -0.0595 -0.0595 0.1965 0.1965 0.2221 0.2221 0.3635 0.3635 0.4124 0.4124 0.5327 0.5327 0.5800 0.5800 1.4560 1.4560 1.4802 1.4802 1.5673 1.5673 1.6008 1.6008 1.8120 1.8120 1.9631 1.9631 2.1034 2.1034 2.1166 2.1166 2.4194 2.4194 4.8969 4.8969 5.0751 5.0751 5.1328 5.1328 6.6710 6.6710 7.0832 7.0832 10.5690 10.5690 10.8717 10.8717 k = 0.3958 0.1804 0.6124 ( 19946 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6698 -21.6698 -21.6689 -21.6689 -11.0690 -11.0690 -10.6064 -10.6064 -10.4943 -10.4943 -10.4847 -10.4847 -10.4359 -10.4359 -10.3819 -10.3819 -6.3646 -6.3646 -6.3599 -6.3599 -5.5080 -5.5080 -5.5016 -5.5016 -5.4882 -5.4882 -5.4804 -5.4804 -0.4505 -0.4505 -0.1674 -0.1674 -0.0626 -0.0626 0.2026 0.2026 0.2247 0.2247 0.3571 0.3571 0.4096 0.4096 0.5348 0.5348 0.5810 0.5810 1.4617 1.4617 1.4820 1.4820 1.5597 1.5597 1.5956 1.5956 1.8098 1.8098 1.9757 1.9757 2.0881 2.0881 2.1259 2.1259 2.4249 2.4249 4.8928 4.8928 5.0820 5.0820 5.1287 5.1287 6.6692 6.6692 7.0862 7.0862 10.5544 10.5544 10.8628 10.8628 k = 0.3854 0.1985 0.6124 ( 19927 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6698 -21.6698 -21.6688 -21.6688 -11.0692 -11.0692 -10.6062 -10.6062 -10.4942 -10.4942 -10.4837 -10.4837 -10.4373 -10.4373 -10.3815 -10.3815 -6.3647 -6.3647 -6.3600 -6.3600 -5.5082 -5.5082 -5.5017 -5.5017 -5.4882 -5.4882 -5.4802 -5.4802 -0.4532 -0.4532 -0.1645 -0.1645 -0.0644 -0.0644 0.2042 0.2042 0.2289 0.2289 0.3527 0.3527 0.4078 0.4078 0.5361 0.5361 0.5817 0.5817 1.4660 1.4660 1.4831 1.4831 1.5536 1.5536 1.5930 1.5930 1.8084 1.8084 1.9857 1.9857 2.0762 2.0762 2.1319 2.1319 2.4283 2.4283 4.8902 4.8902 5.0870 5.0870 5.1254 5.1254 6.6680 6.6680 7.0881 7.0881 10.5456 10.5456 10.8572 10.8572 k = 0.3750 0.2165 0.6124 ( 19953 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6698 -21.6698 -21.6688 -21.6688 -11.0692 -11.0692 -10.6062 -10.6062 -10.4941 -10.4941 -10.4834 -10.4834 -10.4378 -10.4378 -10.3813 -10.3813 -6.3647 -6.3647 -6.3600 -6.3600 -5.5083 -5.5083 -5.5018 -5.5018 -5.4882 -5.4882 -5.4801 -5.4801 -0.4541 -0.4541 -0.1635 -0.1635 -0.0650 -0.0650 0.2045 0.2045 0.2307 0.2307 0.3510 0.3510 0.4073 0.4073 0.5365 0.5365 0.5819 0.5819 1.4677 1.4677 1.4834 1.4834 1.5513 1.5513 1.5923 1.5923 1.8079 1.8079 1.9896 1.9896 2.0715 2.0715 2.1340 2.1340 2.4294 2.4294 4.8894 4.8894 5.0888 5.0888 5.1241 5.1241 6.6676 6.6676 7.0887 7.0887 10.5427 10.5427 10.8553 10.8553 k = 0.3750 0.2165 0.6124 ( 19953 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6698 -21.6698 -21.6688 -21.6688 -11.0692 -11.0692 -10.6062 -10.6062 -10.4941 -10.4941 -10.4834 -10.4834 -10.4378 -10.4378 -10.3813 -10.3813 -6.3647 -6.3647 -6.3600 -6.3600 -5.5083 -5.5083 -5.5018 -5.5018 -5.4882 -5.4882 -5.4801 -5.4801 -0.4541 -0.4541 -0.1635 -0.1635 -0.0650 -0.0650 0.2045 0.2045 0.2307 0.2307 0.3510 0.3510 0.4073 0.4073 0.5365 0.5365 0.5819 0.5819 1.4677 1.4677 1.4834 1.4834 1.5513 1.5513 1.5923 1.5923 1.8079 1.8079 1.9896 1.9896 2.0715 2.0715 2.1340 2.1340 2.4294 2.4294 4.8894 4.8894 5.0888 5.0888 5.1241 5.1241 6.6676 6.6676 7.0887 7.0887 10.5427 10.5427 10.8553 10.8553 k = 0.3640 0.2101 0.5944 ( 19925 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6697 -21.6697 -21.6690 -21.6690 -11.0696 -11.0696 -10.6102 -10.6102 -10.4942 -10.4942 -10.4804 -10.4804 -10.4326 -10.4326 -10.3841 -10.3841 -6.3645 -6.3645 -6.3611 -6.3611 -5.5076 -5.5076 -5.5036 -5.5036 -5.4882 -5.4882 -5.4813 -5.4813 -0.4501 -0.4501 -0.1753 -0.1753 -0.0392 -0.0392 0.1921 0.1921 0.2107 0.2107 0.3414 0.3414 0.4111 0.4111 0.5236 0.5236 0.5963 0.5963 1.4674 1.4674 1.4853 1.4853 1.5744 1.5744 1.6102 1.6102 1.7733 1.7733 2.0075 2.0075 2.0951 2.0951 2.1403 2.1403 2.4095 2.4095 4.9004 4.9004 5.0799 5.0799 5.1171 5.1171 6.6906 6.6906 7.0744 7.0744 10.5615 10.5615 10.7826 10.7826 k = 0.3529 0.2038 0.5764 ( 19945 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6696 -21.6696 -21.6691 -21.6691 -11.0703 -11.0703 -10.6134 -10.6134 -10.4943 -10.4943 -10.4772 -10.4772 -10.4277 -10.4277 -10.3870 -10.3870 -6.3643 -6.3643 -6.3624 -6.3624 -5.5073 -5.5073 -5.5056 -5.5056 -5.4881 -5.4881 -5.4825 -5.4825 -0.4487 -0.4487 -0.1853 -0.1853 -0.0119 -0.0119 0.1789 0.1789 0.1929 0.1929 0.3313 0.3313 0.4146 0.4146 0.5099 0.5099 0.6101 0.6101 1.4663 1.4663 1.4869 1.4869 1.5956 1.5956 1.6309 1.6309 1.7428 1.7428 2.0260 2.0260 2.1191 2.1191 2.1472 2.1472 2.3893 2.3893 4.9111 4.9111 5.0704 5.0704 5.1097 5.1097 6.7144 6.7144 7.0605 7.0605 10.5766 10.5766 10.7005 10.7005 k = 0.3419 0.1974 0.5583 ( 19959 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6694 -21.6694 -21.6692 -21.6692 -11.0715 -11.0715 -10.6157 -10.6157 -10.4943 -10.4943 -10.4738 -10.4738 -10.4231 -10.4231 -10.3900 -10.3900 -6.3648 -6.3648 -6.3633 -6.3633 -5.5089 -5.5089 -5.5061 -5.5061 -5.4882 -5.4882 -5.4837 -5.4837 -0.4505 -0.4505 -0.1928 -0.1928 0.0162 0.0162 0.1635 0.1635 0.1793 0.1793 0.3208 0.3208 0.4177 0.4177 0.4957 0.4957 0.6230 0.6230 1.4635 1.4635 1.4886 1.4886 1.6137 1.6137 1.6506 1.6506 1.7219 1.7219 2.0451 2.0451 2.1431 2.1431 2.1548 2.1548 2.3692 2.3692 4.9213 4.9213 5.0606 5.0606 5.1020 5.1020 6.7388 6.7388 7.0472 7.0472 10.5874 10.5874 10.6137 10.6137 k = 0.3309 0.1910 0.5403 ( 19933 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6694 -21.6694 -21.6693 -21.6693 -11.0731 -11.0731 -10.6171 -10.6171 -10.4944 -10.4944 -10.4703 -10.4703 -10.4189 -10.4189 -10.3932 -10.3932 -6.3662 -6.3662 -6.3635 -6.3635 -5.5117 -5.5117 -5.5059 -5.5059 -5.4885 -5.4885 -5.4847 -5.4847 -0.4559 -0.4559 -0.1971 -0.1971 0.0441 0.0441 0.1472 0.1472 0.1691 0.1691 0.3101 0.3101 0.4204 0.4204 0.4812 0.4812 0.6347 0.6347 1.4579 1.4579 1.4912 1.4912 1.6272 1.6272 1.6607 1.6607 1.7219 1.7219 2.0648 2.0648 2.1609 2.1609 2.1690 2.1690 2.3496 2.3496 4.9309 4.9309 5.0505 5.0505 5.0939 5.0939 6.7637 6.7637 7.0346 7.0346 10.5240 10.5240 10.5936 10.5936 k = 0.3199 0.1847 0.5223 ( 19939 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6695 -21.6695 -21.6692 -21.6692 -11.0751 -11.0751 -10.6176 -10.6176 -10.4943 -10.4943 -10.4665 -10.4665 -10.4149 -10.4149 -10.3965 -10.3965 -6.3681 -6.3681 -6.3635 -6.3635 -5.5148 -5.5148 -5.5058 -5.5058 -5.4895 -5.4895 -5.4853 -5.4853 -0.4651 -0.4651 -0.1980 -0.1980 0.0693 0.0693 0.1329 0.1329 0.1616 0.1616 0.2991 0.2991 0.4228 0.4228 0.4667 0.4667 0.6450 0.6450 1.4483 1.4483 1.4950 1.4950 1.6310 1.6310 1.6676 1.6676 1.7426 1.7426 2.0849 2.0849 2.1695 2.1695 2.1926 2.1926 2.3309 2.3309 4.9397 4.9397 5.0401 5.0401 5.0856 5.0856 6.7888 6.7888 7.0231 7.0231 10.4323 10.4323 10.5949 10.5949 k = 0.3088 0.1783 0.5043 ( 19935 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6697 -21.6697 -21.6690 -21.6690 -11.0777 -11.0777 -10.6171 -10.6171 -10.4942 -10.4942 -10.4627 -10.4627 -10.4112 -10.4112 -10.3998 -10.3998 -6.3703 -6.3703 -6.3635 -6.3635 -5.5182 -5.5182 -5.5059 -5.5059 -5.4912 -5.4912 -5.4854 -5.4854 -0.4779 -0.4779 -0.1956 -0.1956 0.0852 0.0852 0.1255 0.1255 0.1581 0.1581 0.2879 0.2879 0.4247 0.4247 0.4524 0.4524 0.6537 0.6537 1.4348 1.4348 1.5002 1.5002 1.6287 1.6287 1.6812 1.6812 1.7709 1.7709 2.1053 2.1053 2.1779 2.1779 2.2163 2.2163 2.3137 2.3137 4.9475 4.9475 5.0296 5.0296 5.0769 5.0769 6.8140 6.8140 7.0128 7.0128 10.3392 10.3392 10.5913 10.5913 k = 0.2978 0.1719 0.4863 ( 19925 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6698 -21.6698 -21.6689 -21.6689 -11.0807 -11.0807 -10.6156 -10.6156 -10.4940 -10.4940 -10.4588 -10.4588 -10.4079 -10.4079 -10.4032 -10.4032 -6.3726 -6.3726 -6.3636 -6.3636 -5.5218 -5.5218 -5.5060 -5.5060 -5.4934 -5.4934 -5.4855 -5.4855 -0.4940 -0.4940 -0.1902 -0.1902 0.0837 0.0837 0.1269 0.1269 0.1640 0.1640 0.2767 0.2767 0.4252 0.4252 0.4395 0.4395 0.6608 0.6608 1.4187 1.4187 1.5066 1.5066 1.6285 1.6285 1.6974 1.6974 1.8016 1.8016 2.1259 2.1259 2.1865 2.1865 2.2393 2.2393 2.2987 2.2987 4.9543 4.9543 5.0191 5.0191 5.0680 5.0680 6.8392 6.8392 7.0039 7.0039 10.2450 10.2450 10.5829 10.5829 k = 0.2868 0.1656 0.4683 ( 19927 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6700 -21.6700 -21.6687 -21.6687 -11.0842 -11.0842 -10.6133 -10.6133 -10.4937 -10.4937 -10.4547 -10.4547 -10.4071 -10.4071 -10.4043 -10.4043 -6.3752 -6.3752 -6.3638 -6.3638 -5.5256 -5.5256 -5.5064 -5.5064 -5.4960 -5.4960 -5.4855 -5.4855 -0.5129 -0.5129 -0.1821 -0.1821 0.0740 0.0740 0.1260 0.1260 0.1805 0.1805 0.2654 0.2654 0.4188 0.4188 0.4338 0.4338 0.6661 0.6661 1.4021 1.4021 1.5142 1.5142 1.6328 1.6328 1.7140 1.7140 1.8331 1.8331 2.1464 2.1464 2.1952 2.1952 2.2595 2.2595 2.2886 2.2886 4.9599 4.9599 5.0088 5.0088 5.0589 5.0589 6.8642 6.8642 6.9965 6.9965 10.1502 10.1502 10.5698 10.5698 k = 0.2757 0.1592 0.4503 ( 19917 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6702 -21.6702 -21.6686 -21.6686 -11.0882 -11.0882 -10.6101 -10.6101 -10.4934 -10.4934 -10.4507 -10.4507 -10.4103 -10.4103 -10.4016 -10.4016 -6.3779 -6.3779 -6.3641 -6.3641 -5.5295 -5.5295 -5.5068 -5.5068 -5.4990 -5.4990 -5.4856 -5.4856 -0.5340 -0.5340 -0.1719 -0.1719 0.0634 0.0634 0.1226 0.1226 0.1999 0.1999 0.2543 0.2543 0.4060 0.4060 0.4348 0.4348 0.6695 0.6695 1.3869 1.3869 1.5228 1.5228 1.6412 1.6412 1.7302 1.7302 1.8646 1.8646 2.1666 2.1666 2.2041 2.2041 2.2665 2.2665 2.2942 2.2942 4.9640 4.9640 4.9988 4.9988 5.0497 5.0497 6.8888 6.8888 6.9908 6.9908 10.0549 10.0549 10.5523 10.5523 k = 0.2647 0.1528 0.4323 ( 19921 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6703 -21.6703 -21.6684 -21.6684 -11.0925 -11.0925 -10.6060 -10.6060 -10.4929 -10.4929 -10.4468 -10.4468 -10.4136 -10.4136 -10.3990 -10.3990 -6.3809 -6.3809 -6.3645 -6.3645 -5.5335 -5.5335 -5.5075 -5.5075 -5.5022 -5.5022 -5.4858 -5.4858 -0.5570 -0.5570 -0.1599 -0.1599 0.0536 0.0536 0.1188 0.1188 0.2175 0.2175 0.2434 0.2434 0.3924 0.3924 0.4373 0.4373 0.6709 0.6709 1.3750 1.3750 1.5323 1.5323 1.6532 1.6532 1.7455 1.7455 1.8959 1.8959 2.1856 2.1856 2.2133 2.2133 2.2636 2.2636 2.3133 2.3133 4.9661 4.9661 4.9898 4.9898 5.0403 5.0403 6.9129 6.9129 6.9868 6.9868 9.9595 9.9595 10.5307 10.5307 k = 0.2537 0.1465 0.4143 ( 19929 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6705 -21.6705 -21.6683 -21.6683 -11.0973 -11.0973 -10.6012 -10.6012 -10.4924 -10.4924 -10.4430 -10.4430 -10.4168 -10.4168 -10.3966 -10.3966 -6.3840 -6.3840 -6.3650 -6.3650 -5.5377 -5.5377 -5.5088 -5.5088 -5.5054 -5.5054 -5.4862 -5.4862 -0.5813 -0.5813 -0.1464 -0.1464 0.0450 0.0450 0.1153 0.1153 0.2286 0.2286 0.2357 0.2357 0.3789 0.3789 0.4404 0.4404 0.6704 0.6704 1.3675 1.3675 1.5426 1.5426 1.6684 1.6684 1.7592 1.7592 1.9267 1.9267 2.2027 2.2027 2.2226 2.2226 2.2637 2.2637 2.3342 2.3342 4.9649 4.9649 4.9829 4.9829 5.0309 5.0309 6.9364 6.9364 6.9846 6.9846 9.8643 9.8643 10.5052 10.5052 k = 0.2426 0.1401 0.3962 ( 19917 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6707 -21.6707 -21.6681 -21.6681 -11.1023 -11.1023 -10.5957 -10.5957 -10.4917 -10.4917 -10.4395 -10.4395 -10.4195 -10.4195 -10.3943 -10.3943 -6.3873 -6.3873 -6.3655 -6.3655 -5.5419 -5.5419 -5.5116 -5.5116 -5.5073 -5.5073 -5.4868 -5.4868 -0.6067 -0.6067 -0.1316 -0.1316 0.0379 0.0379 0.1124 0.1124 0.2205 0.2205 0.2434 0.2434 0.3656 0.3656 0.4437 0.4437 0.6679 0.6679 1.3653 1.3653 1.5536 1.5536 1.6863 1.6863 1.7711 1.7711 1.9568 1.9568 2.2169 2.2169 2.2316 2.2316 2.2704 2.2704 2.3550 2.3550 4.9595 4.9595 4.9791 4.9791 5.0215 5.0215 6.9592 6.9592 6.9842 6.9842 9.7695 9.7695 10.4742 10.4750 k = 0.2316 0.1337 0.3782 ( 19917 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6708 -21.6708 -21.6680 -21.6680 -11.1076 -11.1076 -10.5896 -10.5896 -10.4910 -10.4910 -10.4371 -10.4371 -10.4213 -10.4213 -10.3922 -10.3922 -6.3907 -6.3907 -6.3662 -6.3662 -5.5461 -5.5461 -5.5158 -5.5158 -5.5083 -5.5083 -5.4876 -5.4876 -0.6328 -0.6328 -0.1159 -0.1159 0.0322 0.0322 0.1102 0.1102 0.2102 0.2102 0.2492 0.2492 0.3528 0.3528 0.4469 0.4469 0.6635 0.6635 1.3686 1.3686 1.5652 1.5652 1.7067 1.7067 1.7810 1.7810 1.9861 1.9861 2.2290 2.2290 2.2399 2.2399 2.2836 2.2836 2.3751 2.3751 4.9516 4.9516 4.9766 4.9766 5.0124 5.0124 6.9811 6.9811 6.9859 6.9859 9.6753 9.6753 10.4008 10.4008 k = 0.2206 0.1274 0.3602 ( 19933 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6710 -21.6710 -21.6678 -21.6678 -11.1131 -11.1131 -10.5830 -10.5830 -10.4902 -10.4902 -10.4363 -10.4363 -10.4214 -10.4214 -10.3903 -10.3903 -6.3942 -6.3942 -6.3670 -6.3670 -5.5504 -5.5504 -5.5205 -5.5205 -5.5091 -5.5091 -5.4887 -5.4887 -0.6595 -0.6595 -0.0995 -0.0995 0.0281 0.0281 0.1088 0.1088 0.2000 0.2000 0.2513 0.2513 0.3403 0.3403 0.4497 0.4497 0.6572 0.6572 1.3775 1.3775 1.5772 1.5772 1.7294 1.7294 1.7887 1.7887 2.0146 2.0146 2.2408 2.2408 2.2479 2.2479 2.3011 2.3011 2.3946 2.3946 4.9429 4.9429 4.9735 4.9735 5.0036 5.0036 6.9889 6.9889 7.0025 7.0025 9.5822 9.5822 10.3314 10.3314 k = 0.2096 0.1210 0.3422 ( 19905 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6712 -21.6712 -21.6677 -21.6677 -11.1187 -11.1187 -10.5760 -10.5760 -10.4893 -10.4893 -10.4375 -10.4375 -10.4195 -10.4195 -10.3886 -10.3886 -6.3979 -6.3979 -6.3678 -6.3678 -5.5546 -5.5546 -5.5255 -5.5255 -5.5099 -5.5099 -5.4899 -5.4899 -0.6865 -0.6865 -0.0823 -0.0823 0.0255 0.0255 0.1082 0.1082 0.1901 0.1901 0.2498 0.2498 0.3283 0.3283 0.4517 0.4517 0.6491 0.6491 1.3916 1.3916 1.5896 1.5896 1.7537 1.7537 1.7948 1.7948 2.0420 2.0420 2.2533 2.2533 2.2567 2.2567 2.3208 2.3208 2.4134 2.4134 4.9341 4.9341 4.9690 4.9690 4.9955 4.9955 6.9942 6.9942 7.0227 7.0227 9.4903 9.4903 10.2630 10.2630 k = 0.1985 0.1146 0.3242 ( 19895 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6714 -21.6714 -21.6675 -21.6675 -11.1245 -11.1245 -10.5687 -10.5687 -10.4884 -10.4884 -10.4398 -10.4398 -10.4164 -10.4164 -10.3870 -10.3870 -6.4016 -6.4016 -6.3688 -6.3688 -5.5588 -5.5588 -5.5309 -5.5309 -5.5107 -5.5107 -5.4914 -5.4914 -0.7135 -0.7135 -0.0647 -0.0647 0.0243 0.0243 0.1083 0.1083 0.1807 0.1807 0.2455 0.2455 0.3168 0.3168 0.4529 0.4529 0.6393 0.6393 1.4102 1.4102 1.6022 1.6022 1.7775 1.7775 1.8018 1.8018 2.0683 2.0683 2.2630 2.2630 2.2705 2.2705 2.3414 2.3414 2.4313 2.4313 4.9256 4.9256 4.9630 4.9630 4.9880 4.9880 7.0011 7.0011 7.0419 7.0419 9.4000 9.4000 10.1958 10.1958 k = 0.1875 0.1083 0.3062 ( 19907 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6715 -21.6715 -21.6674 -21.6674 -11.1302 -11.1302 -10.5611 -10.5611 -10.4874 -10.4874 -10.4426 -10.4426 -10.4129 -10.4129 -10.3855 -10.3855 -6.4054 -6.4054 -6.3698 -6.3698 -5.5630 -5.5630 -5.5364 -5.5364 -5.5114 -5.5114 -5.4930 -5.4930 -0.7404 -0.7404 -0.0468 -0.0468 0.0244 0.0244 0.1092 0.1092 0.1716 0.1716 0.2389 0.2389 0.3057 0.3057 0.4530 0.4530 0.6280 0.6280 1.4325 1.4325 1.6150 1.6150 1.7906 1.7906 1.8197 1.8197 2.0935 2.0935 2.2712 2.2712 2.2879 2.2879 2.3624 2.3624 2.4483 2.4483 4.9173 4.9173 4.9557 4.9557 4.9809 4.9809 7.0097 7.0097 7.0600 7.0600 9.3116 9.3116 10.1299 10.1300 k = 0.1765 0.1019 0.2882 ( 19893 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6717 -21.6717 -21.6673 -21.6673 -11.1359 -11.1359 -10.5534 -10.5534 -10.4863 -10.4863 -10.4455 -10.4455 -10.4093 -10.4093 -10.3841 -10.3841 -6.4092 -6.4092 -6.3708 -6.3708 -5.5670 -5.5670 -5.5421 -5.5421 -5.5122 -5.5122 -5.4948 -5.4948 -0.7670 -0.7670 -0.0288 -0.0288 0.0258 0.0258 0.1109 0.1109 0.1631 0.1631 0.2306 0.2306 0.2952 0.2952 0.4522 0.4522 0.6152 0.6152 1.4575 1.4575 1.6277 1.6277 1.7932 1.7932 1.8486 1.8486 2.1174 2.1174 2.2791 2.2791 2.3074 2.3074 2.3835 2.3835 2.4646 2.4646 4.9095 4.9095 4.9474 4.9474 4.9739 4.9739 7.0198 7.0198 7.0771 7.0771 9.2255 9.2255 10.0629 10.0657 k = 0.1654 0.0955 0.2702 ( 19907 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6718 -21.6718 -21.6671 -21.6671 -11.1415 -11.1415 -10.5457 -10.5457 -10.4852 -10.4852 -10.4485 -10.4485 -10.4056 -10.4056 -10.3829 -10.3829 -6.4130 -6.4130 -6.3720 -6.3720 -5.5710 -5.5710 -5.5478 -5.5478 -5.5129 -5.5129 -5.4967 -5.4967 -0.7931 -0.7931 -0.0109 -0.0109 0.0283 0.0283 0.1132 0.1132 0.1551 0.1551 0.2211 0.2211 0.2852 0.2852 0.4506 0.4506 0.6012 0.6012 1.4843 1.4843 1.6403 1.6403 1.7929 1.7929 1.8812 1.8812 2.1401 2.1401 2.2868 2.2868 2.3283 2.3283 2.4043 2.4043 2.4799 2.4799 4.9021 4.9021 4.9386 4.9386 4.9667 4.9667 7.0313 7.0313 7.0930 7.0930 9.1419 9.1419 9.9942 9.9942 k = 0.1544 0.0891 0.2522 ( 19905 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6720 -21.6720 -21.6670 -21.6670 -11.1470 -11.1470 -10.5380 -10.5380 -10.4841 -10.4841 -10.4513 -10.4513 -10.4020 -10.4020 -10.3817 -10.3817 -6.4168 -6.4168 -6.3731 -6.3731 -5.5748 -5.5748 -5.5536 -5.5536 -5.5136 -5.5136 -5.4987 -5.4987 -0.8186 -0.8186 0.0065 0.0065 0.0321 0.0321 0.1161 0.1161 0.1479 0.1479 0.2110 0.2110 0.2758 0.2758 0.4482 0.4482 0.5862 0.5862 1.5121 1.5121 1.6527 1.6527 1.7914 1.7914 1.9157 1.9157 2.1615 2.1615 2.2944 2.2944 2.3502 2.3502 2.4249 2.4249 2.4944 2.4944 4.8951 4.8951 4.9297 4.9297 4.9590 4.9590 7.0441 7.0441 7.1077 7.1077 9.0613 9.0613 9.9293 9.9293 k = 0.1434 0.0828 0.2341 ( 19897 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6721 -21.6721 -21.6669 -21.6669 -11.1523 -11.1523 -10.5304 -10.5304 -10.4830 -10.4830 -10.4541 -10.4541 -10.3985 -10.3985 -10.3807 -10.3807 -6.4205 -6.4205 -6.3742 -6.3742 -5.5785 -5.5785 -5.5593 -5.5593 -5.5143 -5.5143 -5.5008 -5.5008 -0.8432 -0.8432 0.0225 0.0225 0.0378 0.0378 0.1191 0.1191 0.1419 0.1419 0.2007 0.2007 0.2670 0.2670 0.4453 0.4453 0.5703 0.5703 1.5400 1.5400 1.6648 1.6648 1.7893 1.7893 1.9512 1.9512 2.1818 2.1818 2.3019 2.3019 2.3723 2.3723 2.4450 2.4450 2.5081 2.5081 4.8886 4.8886 4.9207 4.9207 4.9509 4.9509 7.0578 7.0578 7.1213 7.1213 8.9840 8.9840 9.8683 9.8684 k = 0.1324 0.0764 0.2161 ( 19899 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6723 -21.6723 -21.6668 -21.6668 -11.1573 -11.1573 -10.5231 -10.5231 -10.4819 -10.4819 -10.4567 -10.4567 -10.3952 -10.3952 -10.3797 -10.3797 -6.4241 -6.4241 -6.3754 -6.3754 -5.5820 -5.5820 -5.5650 -5.5650 -5.5150 -5.5150 -5.5029 -5.5029 -0.8667 -0.8667 0.0342 0.0342 0.0474 0.0474 0.1211 0.1211 0.1380 0.1380 0.1909 0.1909 0.2587 0.2587 0.4418 0.4418 0.5537 0.5537 1.5674 1.5674 1.6764 1.6764 1.7871 1.7871 1.9873 1.9873 2.2009 2.2009 2.3092 2.3092 2.3943 2.3943 2.4644 2.4644 2.5209 2.5209 4.8826 4.8826 4.9119 4.9119 4.9425 4.9425 7.0723 7.0723 7.1337 7.1337 8.9103 8.9103 9.8114 9.8114 k = 0.1213 0.0700 0.1981 ( 19901 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6724 -21.6724 -21.6667 -21.6667 -11.1621 -11.1621 -10.5160 -10.5160 -10.4808 -10.4808 -10.4592 -10.4592 -10.3921 -10.3921 -10.3788 -10.3788 -6.4275 -6.4275 -6.3766 -6.3766 -5.5853 -5.5853 -5.5704 -5.5704 -5.5156 -5.5156 -5.5051 -5.5051 -0.8891 -0.8891 0.0417 0.0417 0.0607 0.0607 0.1202 0.1202 0.1383 0.1383 0.1820 0.1820 0.2510 0.2510 0.4380 0.4380 0.5366 0.5366 1.5937 1.5937 1.6873 1.6873 1.7850 1.7850 2.0230 2.0230 2.2190 2.2190 2.3163 2.3163 2.4156 2.4156 2.4833 2.4833 2.5328 2.5328 4.8771 4.8771 4.9033 4.9033 4.9337 4.9337 7.0873 7.0873 7.1450 7.1450 8.8408 8.8408 9.7587 9.7587 k = 0.1103 0.0637 0.1801 ( 19893 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6725 -21.6725 -21.6666 -21.6666 -11.1666 -11.1666 -10.5094 -10.5094 -10.4797 -10.4797 -10.4615 -10.4615 -10.3891 -10.3891 -10.3780 -10.3780 -6.4308 -6.4308 -6.3777 -6.3777 -5.5884 -5.5884 -5.5757 -5.5757 -5.5162 -5.5162 -5.5072 -5.5072 -0.9100 -0.9100 0.0479 0.0479 0.0736 0.0736 0.1168 0.1168 0.1422 0.1422 0.1749 0.1749 0.2439 0.2439 0.4338 0.4338 0.5193 0.5193 1.6185 1.6185 1.6975 1.6975 1.7831 1.7831 2.0577 2.0577 2.2362 2.2362 2.3233 2.3233 2.4359 2.4359 2.5013 2.5013 2.5439 2.5439 4.8720 4.8720 4.8951 4.8951 4.9249 4.9249 7.1026 7.1026 7.1551 7.1551 8.7756 8.7756 9.7101 9.7101 k = 0.0993 0.0573 0.1621 ( 19893 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6726 -21.6726 -21.6665 -21.6665 -11.1708 -11.1708 -10.5031 -10.5031 -10.4787 -10.4787 -10.4636 -10.4636 -10.3864 -10.3864 -10.3773 -10.3773 -6.4339 -6.4339 -6.3787 -6.3787 -5.5912 -5.5912 -5.5806 -5.5806 -5.5168 -5.5168 -5.5092 -5.5092 -0.9295 -0.9295 0.0538 0.0538 0.0840 0.0840 0.1128 0.1128 0.1480 0.1480 0.1706 0.1706 0.2374 0.2374 0.4294 0.4294 0.5020 0.5020 1.6414 1.6414 1.7067 1.7067 1.7819 1.7819 2.0903 2.0903 2.2530 2.2530 2.3299 2.3299 2.4546 2.4546 2.5184 2.5184 2.5542 2.5542 4.8674 4.8674 4.8873 4.8873 4.9162 4.9162 7.1177 7.1177 7.1640 7.1640 8.7153 8.7153 9.6660 9.6660 k = 0.0882 0.0509 0.1441 ( 19899 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6727 -21.6727 -21.6664 -21.6664 -11.1746 -11.1746 -10.4974 -10.4974 -10.4777 -10.4777 -10.4655 -10.4655 -10.3839 -10.3839 -10.3766 -10.3766 -6.4368 -6.4368 -6.3797 -6.3797 -5.5938 -5.5938 -5.5852 -5.5852 -5.5173 -5.5173 -5.5111 -5.5111 -0.9474 -0.9474 0.0595 0.0595 0.0906 0.0906 0.1089 0.1089 0.1550 0.1550 0.1699 0.1699 0.2315 0.2315 0.4248 0.4248 0.4850 0.4850 1.6621 1.6621 1.7149 1.7149 1.7814 1.7814 2.1200 2.1200 2.2696 2.2696 2.3362 2.3362 2.4717 2.4717 2.5344 2.5344 2.5637 2.5637 4.8632 4.8632 4.8799 4.8799 4.9078 4.9078 7.1325 7.1325 7.1719 7.1719 8.6601 8.6601 9.6262 9.6262 k = 0.0772 0.0446 0.1261 ( 19883 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6728 -21.6728 -21.6664 -21.6664 -11.1780 -11.1780 -10.4923 -10.4923 -10.4768 -10.4768 -10.4671 -10.4671 -10.3817 -10.3817 -10.3761 -10.3761 -6.4394 -6.4394 -6.3807 -6.3807 -5.5962 -5.5962 -5.5894 -5.5894 -5.5178 -5.5178 -5.5129 -5.5129 -0.9634 -0.9634 0.0650 0.0650 0.0932 0.0932 0.1052 0.1052 0.1630 0.1630 0.1727 0.1727 0.2262 0.2262 0.4201 0.4201 0.4684 0.4684 1.6804 1.6804 1.7217 1.7217 1.7818 1.7818 2.1460 2.1460 2.2861 2.2861 2.3421 2.3421 2.4867 2.4867 2.5493 2.5493 2.5723 2.5723 4.8594 4.8594 4.8730 4.8730 4.8999 4.8999 7.1466 7.1466 7.1788 7.1788 8.6105 8.6105 9.5910 9.5910 k = 0.0662 0.0382 0.1081 ( 19875 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6729 -21.6729 -21.6663 -21.6663 -11.1810 -11.1810 -10.4879 -10.4879 -10.4760 -10.4760 -10.4685 -10.4685 -10.3798 -10.3798 -10.3756 -10.3756 -6.4417 -6.4417 -6.3815 -6.3815 -5.5982 -5.5982 -5.5932 -5.5932 -5.5182 -5.5182 -5.5145 -5.5145 -0.9776 -0.9776 0.0702 0.0702 0.0931 0.0931 0.1013 0.1013 0.1719 0.1719 0.1780 0.1780 0.2215 0.2215 0.4155 0.4155 0.4526 0.4526 1.6961 1.6961 1.7271 1.7271 1.7832 1.7832 2.1677 2.1677 2.3026 2.3026 2.3475 2.3475 2.4997 2.4997 2.5627 2.5627 2.5800 2.5800 4.8561 4.8561 4.8666 4.8666 4.8929 4.8929 7.1596 7.1596 7.1846 7.1846 8.5668 8.5668 9.5603 9.5603 k = 0.0551 0.0318 0.0901 ( 19879 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6730 -21.6730 -21.6662 -21.6662 -11.1836 -11.1836 -10.4842 -10.4842 -10.4752 -10.4752 -10.4695 -10.4695 -10.3781 -10.3781 -10.3752 -10.3752 -6.4437 -6.4437 -6.3822 -6.3822 -5.6000 -5.6000 -5.5964 -5.5964 -5.5185 -5.5185 -5.5159 -5.5159 -0.9897 -0.9897 0.0749 0.0749 0.0919 0.0919 0.0975 0.0975 0.1805 0.1805 0.1847 0.1847 0.2177 0.2177 0.4110 0.4110 0.4380 0.4380 1.7092 1.7092 1.7311 1.7311 1.7856 1.7856 2.1851 2.1851 2.3185 2.3185 2.3522 2.3522 2.5106 2.5106 2.5745 2.5745 2.5867 2.5867 4.8531 4.8531 4.8609 4.8609 4.8869 4.8869 7.1712 7.1712 7.1894 7.1894 8.5292 8.5292 9.5343 9.5343 k = 0.0441 0.0255 0.0720 ( 19877 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6730 -21.6730 -21.6662 -21.6662 -11.1857 -11.1857 -10.4815 -10.4815 -10.4743 -10.4743 -10.4703 -10.4703 -10.3767 -10.3767 -10.3748 -10.3748 -6.4454 -6.4454 -6.3828 -6.3828 -5.6014 -5.6014 -5.5991 -5.5991 -5.5188 -5.5188 -5.5171 -5.5171 -0.9998 -0.9998 0.0789 0.0789 0.0903 0.0903 0.0939 0.0939 0.1880 0.1880 0.1919 0.1919 0.2147 0.2147 0.4069 0.4069 0.4250 0.4250 1.7196 1.7196 1.7338 1.7338 1.7886 1.7886 2.1983 2.1983 2.3333 2.3333 2.3562 2.3562 2.5193 2.5193 2.5845 2.5845 2.5924 2.5924 4.8506 4.8506 4.8558 4.8558 4.8820 4.8820 7.1812 7.1812 7.1933 7.1933 8.4981 8.4981 9.5129 9.5129 k = 0.0331 0.0191 0.0540 ( 19891 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6731 -21.6731 -21.6662 -21.6662 -11.1874 -11.1874 -10.4797 -10.4797 -10.4733 -10.4733 -10.4709 -10.4709 -10.3756 -10.3756 -10.3746 -10.3746 -6.4467 -6.4467 -6.3833 -6.3833 -5.6026 -5.6026 -5.6013 -5.6013 -5.5190 -5.5190 -5.5181 -5.5181 -1.0077 -1.0077 0.0822 0.0822 0.0889 0.0889 0.0908 0.0908 0.1942 0.1942 0.1981 0.1981 0.2129 0.2129 0.4034 0.4034 0.4139 0.4139 1.7275 1.7275 1.7355 1.7355 1.7916 1.7916 2.2079 2.2079 2.3459 2.3459 2.3595 2.3595 2.5260 2.5260 2.5925 2.5925 2.5970 2.5970 4.8486 4.8486 4.8517 4.8517 4.8782 4.8782 7.1893 7.1893 7.1963 7.1963 8.4736 8.4736 9.4962 9.4962 k = 0.0221 0.0127 0.0360 ( 19857 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6731 -21.6731 -21.6661 -21.6661 -11.1886 -11.1886 -10.4788 -10.4788 -10.4723 -10.4723 -10.4711 -10.4711 -10.3749 -10.3749 -10.3744 -10.3744 -6.4477 -6.4477 -6.3837 -6.3837 -5.6034 -5.6034 -5.6028 -5.6028 -5.5192 -5.5192 -5.5188 -5.5188 -1.0134 -1.0134 0.0846 0.0846 0.0878 0.0878 0.0885 0.0885 0.1991 0.1991 0.2019 0.2019 0.2130 0.2130 0.4007 0.4007 0.4055 0.4055 1.7330 1.7330 1.7365 1.7365 1.7943 1.7943 2.2143 2.2143 2.3556 2.3556 2.3618 2.3618 2.5307 2.5307 2.5983 2.5983 2.6003 2.6003 4.8471 4.8471 4.8485 4.8485 4.8756 4.8756 7.1952 7.1952 7.1984 7.1984 8.4560 8.4560 9.4843 9.4843 k = 0.0110 0.0064 0.0180 ( 19853 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6731 -21.6731 -21.6661 -21.6661 -11.1893 -11.1893 -10.4784 -10.4784 -10.4716 -10.4716 -10.4713 -10.4713 -10.3744 -10.3744 -10.3743 -10.3743 -6.4483 -6.4483 -6.3839 -6.3839 -5.6039 -5.6039 -5.6038 -5.6038 -5.5193 -5.5193 -5.5192 -5.5192 -1.0168 -1.0168 0.0859 0.0859 0.0870 0.0870 0.0874 0.0874 0.2021 0.2021 0.2030 0.2030 0.2144 0.2144 0.3989 0.3989 0.4002 0.4002 1.7362 1.7362 1.7371 1.7371 1.7960 1.7960 2.2180 2.2180 2.3616 2.3616 2.3632 2.3632 2.5335 2.5335 2.6018 2.6018 2.6023 2.6023 4.8462 4.8462 4.8466 4.8466 4.8740 4.8740 7.1988 7.1988 7.1996 7.1996 8.4454 8.4454 9.4771 9.4772 k = 0.0000 0.0000 0.0000 ( 19891 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6731 -21.6731 -21.6661 -21.6661 -11.1895 -11.1895 -10.4783 -10.4783 -10.4713 -10.4713 -10.4713 -10.4713 -10.3742 -10.3742 -10.3742 -10.3742 -6.4485 -6.4485 -6.3840 -6.3840 -5.6041 -5.6041 -5.6041 -5.6041 -5.5193 -5.5193 -5.5193 -5.5193 -1.0180 -1.0180 0.0860 0.0860 0.0871 0.0871 0.0871 0.0871 0.2032 0.2032 0.2032 0.2032 0.2151 0.2151 0.3983 0.3983 0.3983 0.3983 1.7372 1.7372 1.7372 1.7372 1.7966 1.7966 2.2192 2.2192 2.3637 2.3637 2.3637 2.3637 2.5344 2.5344 2.6030 2.6030 2.6030 2.6030 4.8459 4.8459 4.8459 4.8459 4.8735 4.8735 7.2000 7.2000 7.2000 7.2000 8.4419 8.4419 9.4747 9.4747 k = 0.0000 0.0000 0.0000 ( 19891 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6731 -21.6731 -21.6661 -21.6661 -11.1895 -11.1895 -10.4783 -10.4783 -10.4713 -10.4713 -10.4713 -10.4713 -10.3742 -10.3742 -10.3742 -10.3742 -6.4485 -6.4485 -6.3840 -6.3840 -5.6041 -5.6041 -5.6041 -5.6041 -5.5193 -5.5193 -5.5193 -5.5193 -1.0180 -1.0180 0.0860 0.0860 0.0871 0.0871 0.0871 0.0871 0.2032 0.2032 0.2032 0.2032 0.2151 0.2151 0.3983 0.3983 0.3983 0.3983 1.7372 1.7372 1.7372 1.7372 1.7966 1.7966 2.2192 2.2192 2.3637 2.3637 2.3637 2.3637 2.5344 2.5344 2.6030 2.6030 2.6030 2.6030 4.8459 4.8459 4.8459 4.8459 4.8735 4.8735 7.2000 7.2000 7.2000 7.2000 8.4419 8.4419 9.4747 9.4747 k = 0.0179 0.0103 0.0073 ( 19855 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6731 -21.6731 -21.6661 -21.6661 -11.1893 -11.1893 -10.4784 -10.4784 -10.4716 -10.4716 -10.4713 -10.4713 -10.3743 -10.3743 -10.3743 -10.3743 -6.4483 -6.4483 -6.3839 -6.3839 -5.6039 -5.6039 -5.6037 -5.6037 -5.5193 -5.5193 -5.5192 -5.5192 -1.0169 -1.0169 0.0860 0.0860 0.0871 0.0871 0.0873 0.0873 0.2026 0.2026 0.2027 0.2027 0.2143 0.2143 0.3995 0.3995 0.3995 0.3995 1.7361 1.7361 1.7371 1.7371 1.7960 1.7960 2.2180 2.2180 2.3616 2.3616 2.3633 2.3633 2.5335 2.5335 2.6020 2.6020 2.6023 2.6023 4.8463 4.8463 4.8465 4.8465 4.8740 4.8740 7.1992 7.1992 7.1992 7.1992 8.4454 8.4454 9.4772 9.4772 k = 0.0357 0.0206 0.0146 ( 19855 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6731 -21.6731 -21.6661 -21.6661 -11.1886 -11.1886 -10.4788 -10.4788 -10.4723 -10.4723 -10.4711 -10.4711 -10.3746 -10.3746 -10.3746 -10.3746 -6.4477 -6.4477 -6.3837 -6.3837 -5.6035 -5.6035 -5.6028 -5.6028 -5.5192 -5.5192 -5.5188 -5.5188 -1.0135 -1.0135 0.0849 0.0849 0.0880 0.0880 0.0880 0.0880 0.2007 0.2007 0.2011 0.2011 0.2121 0.2121 0.4030 0.4030 0.4032 0.4032 1.7328 1.7328 1.7367 1.7367 1.7943 1.7943 2.2144 2.2144 2.3554 2.3554 2.3621 2.3621 2.5308 2.5308 2.5988 2.5988 2.6000 2.6000 4.8474 4.8474 4.8482 4.8482 4.8755 4.8755 7.1968 7.1968 7.1969 7.1969 8.4558 8.4558 9.4847 9.4848 k = 0.0536 0.0309 0.0219 ( 19879 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6731 -21.6731 -21.6662 -21.6662 -11.1874 -11.1874 -10.4799 -10.4799 -10.4731 -10.4731 -10.4708 -10.4708 -10.3751 -10.3751 -10.3751 -10.3751 -6.4468 -6.4468 -6.3833 -6.3833 -5.6027 -5.6027 -5.6012 -5.6012 -5.5191 -5.5191 -5.5180 -5.5180 -1.0079 -1.0079 0.0828 0.0828 0.0891 0.0891 0.0901 0.0901 0.1977 0.1977 0.1988 0.1988 0.2086 0.2086 0.4085 0.4085 0.4090 0.4090 1.7273 1.7273 1.7356 1.7356 1.7920 1.7920 2.2079 2.2079 2.3457 2.3457 2.3602 2.3602 2.5262 2.5262 2.5935 2.5935 2.5962 2.5962 4.8493 4.8493 4.8509 4.8509 4.8780 4.8780 7.1928 7.1928 7.1930 7.1930 8.4731 8.4731 9.4972 9.4972 k = 0.0714 0.0412 0.0292 ( 19882 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6730 -21.6730 -21.6662 -21.6662 -11.1858 -11.1858 -10.4821 -10.4821 -10.4735 -10.4735 -10.4704 -10.4704 -10.3758 -10.3758 -10.3757 -10.3757 -6.4455 -6.4455 -6.3829 -6.3829 -5.6016 -5.6016 -5.5991 -5.5991 -5.5189 -5.5189 -5.5171 -5.5171 -1.0001 -1.0001 0.0799 0.0799 0.0904 0.0904 0.0929 0.0929 0.1935 0.1935 0.1960 0.1960 0.2041 0.2041 0.4160 0.4160 0.4167 0.4167 1.7197 1.7197 1.7332 1.7332 1.7896 1.7896 2.1981 2.1981 2.3332 2.3332 2.3576 2.3576 2.5198 2.5198 2.5861 2.5861 2.5910 2.5910 4.8518 4.8518 4.8548 4.8548 4.8814 4.8814 7.1874 7.1874 7.1876 7.1876 8.4971 8.4971 9.5146 9.5146 k = 0.0893 0.0515 0.0365 ( 19870 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6730 -21.6730 -21.6662 -21.6662 -11.1837 -11.1837 -10.4854 -10.4854 -10.4735 -10.4735 -10.4699 -10.4699 -10.3767 -10.3767 -10.3765 -10.3765 -6.4438 -6.4438 -6.3823 -6.3823 -5.6003 -5.6003 -5.5963 -5.5963 -5.5187 -5.5187 -5.5158 -5.5158 -0.9902 -0.9902 0.0762 0.0762 0.0920 0.0920 0.0965 0.0965 0.1883 0.1883 0.1929 0.1929 0.1988 0.1988 0.4251 0.4251 0.4261 0.4261 1.7101 1.7101 1.7285 1.7285 1.7881 1.7881 2.1841 2.1841 2.3190 2.3190 2.3544 2.3544 2.5117 2.5117 2.5769 2.5769 2.5845 2.5845 4.8548 4.8548 4.8595 4.8595 4.8858 4.8858 7.1806 7.1806 7.1810 7.1810 8.5276 8.5276 9.5367 9.5367 k = 0.1071 0.0619 0.0437 ( 19897 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6729 -21.6729 -21.6663 -21.6663 -11.1811 -11.1811 -10.4897 -10.4897 -10.4732 -10.4732 -10.4693 -10.4693 -10.3777 -10.3777 -10.3775 -10.3775 -6.4418 -6.4418 -6.3816 -6.3816 -5.5987 -5.5987 -5.5930 -5.5930 -5.5185 -5.5185 -5.5144 -5.5144 -0.9783 -0.9783 0.0717 0.0717 0.0936 0.0936 0.1007 0.1007 0.1820 0.1820 0.1901 0.1901 0.1933 0.1933 0.4354 0.4354 0.4369 0.4369 1.6985 1.6985 1.7210 1.7210 1.7883 1.7883 2.1651 2.1651 2.3045 2.3045 2.3506 2.3506 2.5017 2.5017 2.5657 2.5657 2.5767 2.5767 4.8583 4.8583 4.8652 4.8652 4.8910 4.8910 7.1726 7.1726 7.1731 7.1731 8.5645 8.5645 9.5635 9.5635 k = 0.1250 0.0722 0.0510 ( 19885 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6728 -21.6728 -21.6664 -21.6664 -11.1782 -11.1782 -10.4948 -10.4948 -10.4726 -10.4726 -10.4685 -10.4685 -10.3790 -10.3790 -10.3786 -10.3786 -6.4396 -6.4396 -6.3807 -6.3807 -5.5968 -5.5968 -5.5892 -5.5892 -5.5182 -5.5182 -5.5127 -5.5127 -0.9645 -0.9645 0.0667 0.0667 0.0951 0.0951 0.1055 0.1055 0.1747 0.1747 0.1878 0.1878 0.1879 0.1879 0.4469 0.4469 0.4488 0.4488 1.6850 1.6850 1.7104 1.7104 1.7904 1.7904 2.1402 2.1402 2.2908 2.2908 2.3465 2.3465 2.4900 2.4900 2.5528 2.5528 2.5679 2.5679 4.8621 4.8621 4.8715 4.8715 4.8969 4.8969 7.1634 7.1634 7.1641 7.1641 8.6073 8.6073 9.5949 9.5949 k = 0.1429 0.0825 0.0583 ( 19915 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6727 -21.6727 -21.6664 -21.6664 -11.1748 -11.1748 -10.5008 -10.5008 -10.4718 -10.4718 -10.4677 -10.4677 -10.3804 -10.3804 -10.3800 -10.3800 -6.4370 -6.4370 -6.3799 -6.3799 -5.5947 -5.5947 -5.5849 -5.5849 -5.5179 -5.5179 -5.5108 -5.5108 -0.9488 -0.9488 0.0611 0.0611 0.0962 0.0962 0.1107 0.1107 0.1664 0.1664 0.1829 0.1829 0.1867 0.1867 0.4592 0.4592 0.4616 0.4616 1.6699 1.6699 1.6970 1.6970 1.7943 1.7943 2.1094 2.1094 2.2786 2.2786 2.3419 2.3419 2.4767 2.4767 2.5383 2.5383 2.5580 2.5580 4.8662 4.8662 4.8786 4.8786 4.9035 4.9035 7.1534 7.1534 7.1543 7.1543 8.6557 8.6557 9.6306 9.6306 k = 0.1607 0.0928 0.0656 ( 19906 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6726 -21.6726 -21.6665 -21.6665 -11.1711 -11.1711 -10.5073 -10.5073 -10.4709 -10.4709 -10.4667 -10.4667 -10.3820 -10.3820 -10.3814 -10.3814 -6.4342 -6.4342 -6.3789 -6.3789 -5.5923 -5.5923 -5.5802 -5.5802 -5.5176 -5.5176 -5.5087 -5.5087 -0.9315 -0.9315 0.0550 0.0550 0.0967 0.0967 0.1160 0.1160 0.1574 0.1574 0.1788 0.1788 0.1867 0.1867 0.4721 0.4721 0.4751 0.4751 1.6533 1.6533 1.6812 1.6812 1.7997 1.7997 2.0731 2.0731 2.2680 2.2680 2.3372 2.3372 2.4618 2.4618 2.5223 2.5223 2.5473 2.5473 4.8704 4.8704 4.8861 4.8861 4.9107 4.9107 7.1427 7.1427 7.1437 7.1437 8.7094 8.7094 9.6705 9.6705 k = 0.1786 0.1031 0.0729 ( 19900 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6725 -21.6725 -21.6666 -21.6666 -11.1670 -11.1670 -10.5145 -10.5145 -10.4698 -10.4698 -10.4657 -10.4657 -10.3837 -10.3837 -10.3830 -10.3830 -6.4312 -6.4312 -6.3779 -6.3779 -5.5898 -5.5898 -5.5751 -5.5751 -5.5174 -5.5174 -5.5065 -5.5065 -0.9126 -0.9126 0.0485 0.0485 0.0964 0.0964 0.1208 0.1208 0.1480 0.1480 0.1760 0.1760 0.1883 0.1883 0.4854 0.4854 0.4890 0.4890 1.6354 1.6354 1.6634 1.6634 1.8064 1.8064 2.0318 2.0318 2.2589 2.2589 2.3323 2.3323 2.4456 2.4456 2.5051 2.5051 2.5357 2.5357 4.8747 4.8747 4.8940 4.8940 4.9183 4.9183 7.1314 7.1314 7.1326 7.1326 8.7680 8.7680 9.7144 9.7145 k = 0.1964 0.1134 0.0802 ( 19885 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6724 -21.6724 -21.6667 -21.6667 -11.1626 -11.1626 -10.5222 -10.5222 -10.4686 -10.4686 -10.4645 -10.4645 -10.3856 -10.3856 -10.3848 -10.3848 -6.4280 -6.4280 -6.3769 -6.3769 -5.5870 -5.5870 -5.5697 -5.5697 -5.5172 -5.5172 -5.5042 -5.5042 -0.8925 -0.8925 0.0416 0.0416 0.0954 0.0954 0.1246 0.1246 0.1387 0.1387 0.1752 0.1752 0.1914 0.1914 0.4989 0.4989 0.5033 0.5033 1.6164 1.6164 1.6440 1.6440 1.8141 1.8141 1.9866 1.9866 2.2510 2.2510 2.3273 2.3273 2.4280 2.4280 2.4868 2.4868 2.5234 2.5234 4.8789 4.8789 4.9023 4.9023 4.9263 4.9263 7.1197 7.1197 7.1212 7.1212 8.8310 8.8310 9.7620 9.7621 k = 0.2143 0.1237 0.0875 ( 19885 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6723 -21.6723 -21.6668 -21.6668 -11.1579 -11.1579 -10.5303 -10.5303 -10.4673 -10.4673 -10.4632 -10.4632 -10.3876 -10.3876 -10.3867 -10.3867 -6.4246 -6.4246 -6.3758 -6.3758 -5.5841 -5.5841 -5.5640 -5.5640 -5.5170 -5.5170 -5.5018 -5.5018 -0.8713 -0.8713 0.0343 0.0343 0.0936 0.0936 0.1259 0.1259 0.1303 0.1303 0.1769 0.1769 0.1961 0.1961 0.5125 0.5125 0.5177 0.5177 1.5965 1.5965 1.6235 1.6235 1.8226 1.8226 1.9382 1.9382 2.2440 2.2440 2.3223 2.3223 2.4095 2.4095 2.4675 2.4675 2.5105 2.5105 4.8831 4.8831 4.9106 4.9106 4.9344 4.9344 7.1078 7.1078 7.1095 7.1095 8.8980 8.8980 9.8130 9.8131 k = 0.2321 0.1340 0.0948 ( 19906 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6721 -21.6721 -21.6669 -21.6669 -11.1530 -11.1530 -10.5387 -10.5387 -10.4658 -10.4658 -10.4619 -10.4619 -10.3897 -10.3897 -10.3887 -10.3887 -6.4212 -6.4212 -6.3748 -6.3748 -5.5811 -5.5811 -5.5581 -5.5581 -5.5169 -5.5169 -5.4994 -5.4994 -0.8492 -0.8492 0.0266 0.0266 0.0913 0.0913 0.1199 0.1199 0.1280 0.1280 0.1814 0.1814 0.2021 0.2021 0.5259 0.5259 0.5321 0.5321 1.5761 1.5761 1.6020 1.6020 1.8317 1.8317 1.8875 1.8875 2.2378 2.2378 2.3175 2.3175 2.3901 2.3901 2.4476 2.4476 2.4971 2.4971 4.8872 4.8872 4.9190 4.9190 4.9426 4.9426 7.0958 7.0958 7.0977 7.0977 8.9683 8.9683 9.8673 9.8676 k = 0.2500 0.1443 0.1021 ( 19888 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6720 -21.6720 -21.6670 -21.6670 -11.1479 -11.1479 -10.5474 -10.5474 -10.4643 -10.4643 -10.4604 -10.4604 -10.3920 -10.3920 -10.3908 -10.3908 -6.4176 -6.4176 -6.3738 -6.3738 -5.5779 -5.5779 -5.5521 -5.5521 -5.5168 -5.5168 -5.4971 -5.4971 -0.8266 -0.8266 0.0186 0.0186 0.0885 0.0885 0.1125 0.1125 0.1266 0.1266 0.1883 0.1883 0.2094 0.2094 0.5391 0.5391 0.5464 0.5464 1.5554 1.5554 1.5800 1.5800 1.8314 1.8314 1.8450 1.8450 2.2322 2.2322 2.3127 2.3127 2.3702 2.3702 2.4273 2.4273 2.4832 2.4832 4.8912 4.8912 4.9273 4.9273 4.9508 4.9508 7.0840 7.0840 7.0861 7.0861 9.0416 9.0416 9.9244 9.9248 k = 0.2679 0.1546 0.1094 ( 19867 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6718 -21.6718 -21.6672 -21.6672 -11.1426 -11.1426 -10.5562 -10.5562 -10.4626 -10.4626 -10.4588 -10.4588 -10.3944 -10.3944 -10.3930 -10.3930 -6.4140 -6.4140 -6.3729 -6.3729 -5.5746 -5.5746 -5.5461 -5.5461 -5.5169 -5.5169 -5.4947 -5.4947 -0.8037 -0.8037 0.0101 0.0101 0.0855 0.0855 0.1061 0.1061 0.1245 0.1245 0.1968 0.1968 0.2177 0.2177 0.5518 0.5518 0.5603 0.5603 1.5346 1.5346 1.5578 1.5578 1.7799 1.7799 1.8532 1.8532 2.2272 2.2272 2.3081 2.3081 2.3499 2.3499 2.4067 2.4067 2.4690 2.4690 4.8949 4.8949 4.9354 4.9354 4.9588 4.9588 7.0724 7.0724 7.0747 7.0747 9.1172 9.1172 9.9842 9.9847 k = 0.2857 0.1650 0.1166 ( 19882 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6717 -21.6717 -21.6673 -21.6673 -11.1372 -11.1372 -10.5650 -10.5650 -10.4608 -10.4608 -10.4571 -10.4571 -10.3969 -10.3969 -10.3952 -10.3952 -6.4104 -6.4104 -6.3720 -6.3720 -5.5713 -5.5713 -5.5400 -5.5400 -5.5171 -5.5171 -5.4925 -5.4925 -0.7808 -0.7808 0.0013 0.0013 0.0824 0.0824 0.1013 0.1013 0.1220 0.1220 0.2065 0.2065 0.2266 0.2266 0.5639 0.5639 0.5736 0.5736 1.5141 1.5141 1.5356 1.5356 1.7258 1.7258 1.8640 1.8640 2.2226 2.2226 2.3038 2.3038 2.3296 2.3296 2.3862 2.3862 2.4546 2.4546 4.8985 4.8985 4.9432 4.9432 4.9665 4.9665 7.0612 7.0612 7.0637 7.0637 9.1946 9.1946 10.0465 10.0474 k = 0.3036 0.1753 0.1239 ( 19879 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6715 -21.6715 -21.6674 -21.6674 -11.1318 -11.1318 -10.5738 -10.5738 -10.4590 -10.4590 -10.4554 -10.4554 -10.3994 -10.3994 -10.3976 -10.3976 -6.4068 -6.4068 -6.3713 -6.3713 -5.5679 -5.5679 -5.5340 -5.5340 -5.5173 -5.5173 -5.4903 -5.4903 -0.7584 -0.7584 -0.0078 -0.0078 0.0793 0.0793 0.0981 0.0981 0.1195 0.1195 0.2169 0.2169 0.2362 0.2362 0.5752 0.5752 0.5864 0.5864 1.4941 1.4941 1.5139 1.5139 1.6717 1.6717 1.8752 1.8752 2.2185 2.2185 2.2997 2.2997 2.3094 2.3094 2.3660 2.3660 2.4401 2.4401 4.9018 4.9018 4.9507 4.9507 4.9739 4.9739 7.0505 7.0505 7.0532 7.0532 9.2730 9.2730 10.1105 10.1107 k = 0.3214 0.1856 0.1312 ( 19879 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6713 -21.6713 -21.6676 -21.6676 -11.1265 -11.1265 -10.5824 -10.5824 -10.4570 -10.4570 -10.4536 -10.4536 -10.4020 -10.4020 -10.4000 -10.4000 -6.4032 -6.4032 -6.3707 -6.3707 -5.5645 -5.5645 -5.5281 -5.5281 -5.5178 -5.5178 -5.4884 -5.4884 -0.7366 -0.7366 -0.0170 -0.0170 0.0763 0.0763 0.0965 0.0965 0.1173 0.1173 0.2276 0.2276 0.2460 0.2460 0.5857 0.5857 0.5983 0.5983 1.4750 1.4750 1.4930 1.4930 1.6185 1.6185 1.8865 1.8865 2.2148 2.2148 2.2898 2.2898 2.2959 2.2959 2.3464 2.3464 2.4256 2.4256 4.9048 4.9048 4.9577 4.9577 4.9809 4.9809 7.0404 7.0404 7.0432 7.0432 9.3520 9.3520 10.1768 10.1768 k = 0.3393 0.1959 0.1385 ( 19885 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6711 -21.6711 -21.6678 -21.6678 -11.1213 -11.1213 -10.5906 -10.5906 -10.4549 -10.4549 -10.4517 -10.4517 -10.4047 -10.4047 -10.4024 -10.4024 -6.3997 -6.3997 -6.3702 -6.3702 -5.5611 -5.5611 -5.5224 -5.5224 -5.5183 -5.5183 -5.4867 -5.4867 -0.7159 -0.7159 -0.0261 -0.0261 0.0735 0.0735 0.0963 0.0963 0.1157 0.1157 0.2384 0.2384 0.2560 0.2560 0.5951 0.5951 0.6093 0.6093 1.4569 1.4569 1.4730 1.4730 1.5668 1.5668 1.8979 1.8979 2.2115 2.2115 2.2709 2.2709 2.2923 2.2923 2.3276 2.3276 2.4114 2.4114 4.9076 4.9076 4.9642 4.9642 4.9874 4.9874 7.0310 7.0310 7.0340 7.0340 9.4308 9.4308 10.1879 10.1879 k = 0.3571 0.2062 0.1458 ( 19879 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6709 -21.6709 -21.6679 -21.6679 -11.1163 -11.1163 -10.5985 -10.5985 -10.4528 -10.4528 -10.4497 -10.4497 -10.4074 -10.4074 -10.4049 -10.4049 -6.3964 -6.3964 -6.3699 -6.3699 -5.5578 -5.5578 -5.5190 -5.5190 -5.5170 -5.5170 -5.4852 -5.4852 -0.6967 -0.6967 -0.0350 -0.0350 0.0709 0.0709 0.0970 0.0970 0.1151 0.1151 0.2491 0.2491 0.2658 0.2658 0.6035 0.6035 0.6192 0.6192 1.4402 1.4402 1.4542 1.4542 1.5175 1.5175 1.9091 1.9091 2.2085 2.2085 2.2530 2.2530 2.2890 2.2890 2.3100 2.3100 2.3976 2.3976 4.9101 4.9101 4.9702 4.9702 4.9934 4.9934 7.0224 7.0224 7.0255 7.0255 9.5086 9.5086 10.1926 10.1926 k = 0.3750 0.2165 0.1531 ( 19876 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6708 -21.6708 -21.6681 -21.6681 -11.1116 -11.1116 -10.6058 -10.6058 -10.4506 -10.4506 -10.4477 -10.4477 -10.4101 -10.4101 -10.4074 -10.4074 -6.3932 -6.3932 -6.3697 -6.3697 -5.5545 -5.5545 -5.5199 -5.5199 -5.5118 -5.5118 -5.4840 -5.4840 -0.6790 -0.6790 -0.0434 -0.0434 0.0685 0.0685 0.0978 0.0978 0.1162 0.1162 0.2593 0.2593 0.2754 0.2754 0.6107 0.6107 0.6280 0.6280 1.4250 1.4250 1.4365 1.4365 1.4718 1.4718 1.9200 1.9200 2.2058 2.2058 2.2365 2.2365 2.2855 2.2855 2.2942 2.2942 2.3844 2.3844 4.9123 4.9123 4.9756 4.9756 4.9987 4.9987 7.0147 7.0147 7.0179 7.0179 9.5849 9.5849 10.1926 10.1926 k = 0.3929 0.2268 0.1604 ( 19900 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6706 -21.6706 -21.6683 -21.6683 -11.1073 -11.1073 -10.6124 -10.6124 -10.4483 -10.4483 -10.4457 -10.4457 -10.4128 -10.4128 -10.4098 -10.4098 -6.3901 -6.3901 -6.3698 -6.3698 -5.5514 -5.5514 -5.5209 -5.5209 -5.5069 -5.5069 -5.4832 -5.4832 -0.6634 -0.6634 -0.0510 -0.0510 0.0664 0.0664 0.0980 0.0980 0.1192 0.1192 0.2689 0.2689 0.2843 0.2843 0.6168 0.6168 0.6356 0.6356 1.4116 1.4116 1.4172 1.4172 1.4333 1.4333 1.9302 1.9302 2.2035 2.2035 2.2217 2.2217 2.2771 2.2771 2.2853 2.2853 2.3721 2.3721 4.9142 4.9142 4.9803 4.9803 5.0034 5.0034 7.0078 7.0078 7.0112 7.0112 9.6587 9.6587 10.1877 10.1877 k = 0.4107 0.2371 0.1677 ( 19908 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6704 -21.6704 -21.6684 -21.6684 -11.1035 -11.1035 -10.6183 -10.6183 -10.4460 -10.4460 -10.4437 -10.4437 -10.4155 -10.4155 -10.4122 -10.4122 -6.3873 -6.3873 -6.3700 -6.3700 -5.5484 -5.5484 -5.5220 -5.5220 -5.5025 -5.5025 -5.4827 -5.4827 -0.6498 -0.6498 -0.0578 -0.0578 0.0646 0.0646 0.0977 0.0977 0.1236 0.1236 0.2776 0.2776 0.2925 0.2925 0.6217 0.6217 0.6419 0.6419 1.3864 1.3864 1.4000 1.4000 1.4129 1.4129 1.9396 1.9396 2.2009 2.2009 2.2092 2.2092 2.2648 2.2648 2.2825 2.2825 2.3610 2.3610 4.9159 4.9159 4.9844 4.9844 5.0075 5.0075 7.0020 7.0020 7.0054 7.0054 9.7294 9.7294 10.1776 10.1776 k = 0.4286 0.2474 0.1750 ( 19914 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6702 -21.6702 -21.6686 -21.6686 -11.1002 -11.1002 -10.6232 -10.6232 -10.4438 -10.4438 -10.4418 -10.4418 -10.4182 -10.4182 -10.4144 -10.4144 -6.3847 -6.3847 -6.3704 -6.3704 -5.5455 -5.5455 -5.5232 -5.5232 -5.4984 -5.4984 -5.4826 -5.4826 -0.6386 -0.6386 -0.0636 -0.0636 0.0631 0.0631 0.0971 0.0971 0.1286 0.1286 0.2852 0.2852 0.2995 0.2995 0.6255 0.6255 0.6470 0.6470 1.3548 1.3548 1.3905 1.3905 1.4009 1.4009 1.9478 1.9478 2.1953 2.1953 2.2022 2.2022 2.2540 2.2540 2.2806 2.2806 2.3513 2.3513 4.9172 4.9172 4.9877 4.9877 5.0108 5.0108 6.9971 6.9971 7.0006 7.0006 9.7959 9.7959 10.1623 10.1623 k = 0.4464 0.2577 0.1823 ( 19920 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6700 -21.6700 -21.6688 -21.6688 -11.0976 -11.0976 -10.6272 -10.6272 -10.4416 -10.4416 -10.4400 -10.4400 -10.4206 -10.4206 -10.4164 -10.4164 -6.3824 -6.3824 -6.3711 -6.3711 -5.5430 -5.5430 -5.5246 -5.5246 -5.4948 -5.4948 -5.4829 -5.4829 -0.6297 -0.6297 -0.0682 -0.0682 0.0620 0.0620 0.0965 0.0965 0.1335 0.1335 0.2914 0.2914 0.3053 0.3053 0.6284 0.6284 0.6509 0.6509 1.3287 1.3287 1.3830 1.3830 1.3920 1.3920 1.9546 1.9546 2.1873 2.1873 2.2001 2.2001 2.2454 2.2454 2.2792 2.2792 2.3434 2.3434 4.9182 4.9182 4.9903 4.9903 5.0134 5.0134 6.9933 6.9933 6.9969 6.9969 9.8574 9.8574 10.1418 10.1418 k = 0.4643 0.2681 0.1895 ( 19926 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6698 -21.6698 -21.6690 -21.6690 -11.0956 -11.0956 -10.6301 -10.6301 -10.4396 -10.4396 -10.4385 -10.4385 -10.4228 -10.4228 -10.4181 -10.4181 -6.3804 -6.3804 -6.3718 -6.3718 -5.5409 -5.5409 -5.5258 -5.5258 -5.4916 -5.4916 -5.4837 -5.4837 -0.6234 -0.6234 -0.0716 -0.0716 0.0611 0.0611 0.0960 0.0960 0.1376 0.1376 0.2960 0.2960 0.3096 0.3096 0.6303 0.6303 0.6537 0.6537 1.3093 1.3093 1.3776 1.3776 1.3857 1.3857 1.9597 1.9597 2.1810 2.1810 2.1990 2.1990 2.2390 2.2390 2.2782 2.2782 2.3375 2.3375 4.9190 4.9190 4.9922 4.9922 5.0153 5.0153 6.9906 6.9906 6.9942 6.9942 9.9120 9.9120 10.1171 10.1171 k = 0.4821 0.2784 0.1968 ( 19926 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6696 -21.6696 -21.6692 -21.6692 -11.0944 -11.0944 -10.6319 -10.6319 -10.4381 -10.4381 -10.4374 -10.4374 -10.4244 -10.4244 -10.4193 -10.4193 -6.3789 -6.3789 -6.3725 -6.3725 -5.5394 -5.5394 -5.5268 -5.5268 -5.4889 -5.4889 -5.4850 -5.4850 -0.6196 -0.6196 -0.0736 -0.0736 0.0606 0.0606 0.0956 0.0956 0.1402 0.1402 0.2988 0.2988 0.3123 0.3123 0.6314 0.6314 0.6553 0.6553 1.2974 1.2974 1.3743 1.3743 1.3819 1.3819 1.9629 1.9629 2.1772 2.1772 2.1985 2.1985 2.2352 2.2352 2.2776 2.2776 2.3338 2.3338 4.9194 4.9194 4.9933 4.9933 5.0164 5.0164 6.9889 6.9889 6.9926 6.9926 9.9557 9.9557 10.0915 10.0915 k = 0.5000 0.2887 0.2041 ( 19896 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6694 -21.6694 -21.6694 -21.6694 -11.0940 -11.0940 -10.6325 -10.6325 -10.4375 -10.4375 -10.4370 -10.4370 -10.4250 -10.4250 -10.4197 -10.4197 -6.3784 -6.3784 -6.3728 -6.3728 -5.5388 -5.5388 -5.5272 -5.5272 -5.4870 -5.4870 -5.4865 -5.4865 -0.6183 -0.6183 -0.0743 -0.0743 0.0604 0.0604 0.0955 0.0955 0.1412 0.1412 0.2998 0.2998 0.3132 0.3132 0.6318 0.6318 0.6558 0.6558 1.2934 1.2934 1.3732 1.3732 1.3806 1.3806 1.9640 1.9640 2.1759 2.1759 2.1983 2.1983 2.2339 2.2339 2.2774 2.2774 2.3326 2.3326 4.9196 4.9196 4.9937 4.9937 5.0168 5.0168 6.9884 6.9884 6.9920 6.9920 9.9754 9.9754 10.0779 10.0779 k = 0.5000 0.2887 0.2041 ( 19896 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6694 -21.6694 -21.6694 -21.6694 -11.0940 -11.0940 -10.6325 -10.6325 -10.4375 -10.4375 -10.4370 -10.4370 -10.4250 -10.4250 -10.4197 -10.4197 -6.3784 -6.3784 -6.3728 -6.3728 -5.5388 -5.5388 -5.5272 -5.5272 -5.4870 -5.4870 -5.4865 -5.4865 -0.6183 -0.6183 -0.0743 -0.0743 0.0604 0.0604 0.0955 0.0955 0.1412 0.1412 0.2998 0.2998 0.3132 0.3132 0.6318 0.6318 0.6558 0.6558 1.2934 1.2934 1.3732 1.3732 1.3806 1.3806 1.9640 1.9640 2.1759 2.1759 2.1983 2.1983 2.2339 2.2339 2.2774 2.2774 2.3326 2.3326 4.9196 4.9196 4.9937 4.9937 5.0168 5.0168 6.9884 6.9884 6.9920 6.9920 9.9754 9.9754 10.0779 10.0779 k = 0.5062 0.2706 0.2143 ( 19923 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6694 -21.6694 -21.6694 -21.6694 -11.0939 -11.0939 -10.6324 -10.6324 -10.4381 -10.4381 -10.4378 -10.4378 -10.4244 -10.4244 -10.4193 -10.4193 -6.3783 -6.3783 -6.3728 -6.3728 -5.5386 -5.5386 -5.5270 -5.5270 -5.4870 -5.4870 -5.4864 -5.4864 -0.6173 -0.6173 -0.0765 -0.0765 0.0620 0.0620 0.0970 0.0970 0.1409 0.1409 0.2992 0.2992 0.3126 0.3126 0.6315 0.6315 0.6555 0.6555 1.2950 1.2950 1.3736 1.3736 1.3810 1.3810 1.9622 1.9622 2.1758 2.1758 2.1966 2.1966 2.2339 2.2339 2.2758 2.2758 2.3322 2.3322 4.9201 4.9201 4.9939 4.9939 5.0171 5.0171 6.9875 6.9875 6.9916 6.9916 9.9783 9.9783 10.0809 10.0809 k = 0.5125 0.2526 0.2245 ( 19916 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6694 -21.6694 -21.6694 -21.6694 -11.0935 -11.0935 -10.6321 -10.6321 -10.4400 -10.4400 -10.4394 -10.4394 -10.4228 -10.4228 -10.4183 -10.4183 -6.3780 -6.3780 -6.3726 -6.3726 -5.5381 -5.5381 -5.5267 -5.5267 -5.4870 -5.4870 -5.4864 -5.4864 -0.6144 -0.6144 -0.0824 -0.0824 0.0662 0.0662 0.1015 0.1015 0.1403 0.1403 0.2973 0.2973 0.3114 0.3114 0.6305 0.6305 0.6546 0.6546 1.2997 1.2997 1.3746 1.3746 1.3824 1.3824 1.9570 1.9570 2.1755 2.1755 2.1917 2.1917 2.2339 2.2339 2.2710 2.2710 2.3312 2.3312 4.9217 4.9217 4.9946 4.9946 5.0179 5.0179 6.9836 6.9836 6.9917 6.9917 9.9869 9.9869 10.0896 10.0896 k = 0.5188 0.2345 0.2347 ( 19912 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6694 -21.6694 -21.6694 -21.6694 -11.0929 -11.0929 -10.6317 -10.6317 -10.4429 -10.4429 -10.4416 -10.4416 -10.4210 -10.4210 -10.4168 -10.4168 -6.3776 -6.3776 -6.3723 -6.3723 -5.5373 -5.5373 -5.5261 -5.5261 -5.4871 -5.4871 -5.4862 -5.4862 -0.6095 -0.6095 -0.0911 -0.0911 0.0715 0.0715 0.1093 0.1093 0.1392 0.1392 0.2934 0.2934 0.3101 0.3101 0.6287 0.6287 0.6533 0.6533 1.3073 1.3073 1.3762 1.3762 1.3848 1.3848 1.9486 1.9486 2.1744 2.1744 2.1835 2.1835 2.2339 2.2339 2.2636 2.2636 2.3295 2.3295 4.9243 4.9243 4.9955 4.9955 5.0195 5.0195 6.9763 6.9763 6.9929 6.9929 10.0013 10.0013 10.1041 10.1041 k = 0.5250 0.2165 0.2449 ( 19917 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6694 -21.6694 -21.6694 -21.6694 -11.0921 -11.0921 -10.6311 -10.6311 -10.4463 -10.4463 -10.4440 -10.4440 -10.4194 -10.4194 -10.4149 -10.4149 -6.3771 -6.3771 -6.3720 -6.3720 -5.5361 -5.5361 -5.5252 -5.5252 -5.4872 -5.4872 -5.4861 -5.4861 -0.6028 -0.6028 -0.1015 -0.1015 0.0770 0.0770 0.1198 0.1198 0.1380 0.1380 0.2875 0.2875 0.3095 0.3095 0.6259 0.6259 0.6516 0.6516 1.3174 1.3174 1.3783 1.3783 1.3885 1.3885 1.9370 1.9370 2.1690 2.1690 2.1747 2.1747 2.2337 2.2337 2.2545 2.2545 2.3273 2.3273 4.9275 4.9275 4.9965 4.9965 5.0221 5.0221 6.9660 6.9660 6.9948 6.9948 10.0212 10.0212 10.1241 10.1241 k = 0.5312 0.1985 0.2552 ( 19916 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6694 -21.6694 -21.6694 -21.6694 -11.0910 -11.0910 -10.6304 -10.6304 -10.4500 -10.4500 -10.4467 -10.4467 -10.4180 -10.4180 -10.4128 -10.4128 -6.3764 -6.3764 -6.3715 -6.3715 -5.5347 -5.5347 -5.5242 -5.5242 -5.4872 -5.4872 -5.4860 -5.4860 -0.5944 -0.5944 -0.1129 -0.1129 0.0823 0.0823 0.1293 0.1293 0.1396 0.1396 0.2803 0.2803 0.3095 0.3095 0.6221 0.6221 0.6497 0.6497 1.3295 1.3295 1.3808 1.3808 1.3941 1.3941 1.9227 1.9227 2.1537 2.1537 2.1702 2.1702 2.2323 2.2323 2.2454 2.2454 2.3249 2.3249 4.9311 4.9311 4.9977 4.9977 5.0257 5.0257 6.9531 6.9531 6.9973 6.9973 10.0464 10.0464 10.1494 10.1494 k = 0.5375 0.1804 0.2654 ( 19922 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6694 -21.6694 -21.6694 -21.6694 -11.0897 -11.0897 -10.6295 -10.6295 -10.4540 -10.4540 -10.4495 -10.4495 -10.4171 -10.4171 -10.4105 -10.4105 -6.3756 -6.3756 -6.3709 -6.3709 -5.5330 -5.5330 -5.5229 -5.5229 -5.4873 -5.4873 -5.4858 -5.4858 -0.5843 -0.5843 -0.1244 -0.1244 0.0873 0.0873 0.1298 0.1298 0.1507 0.1507 0.2728 0.2728 0.3099 0.3099 0.6171 0.6171 0.6478 0.6478 1.3427 1.3427 1.3839 1.3839 1.4018 1.4018 1.9058 1.9058 2.1333 2.1333 2.1648 2.1648 2.2265 2.2265 2.2400 2.2400 2.3228 2.3228 4.9347 4.9347 4.9993 4.9993 5.0305 5.0305 6.9379 6.9379 7.0003 7.0003 10.0767 10.0767 10.1797 10.1797 k = 0.5437 0.1624 0.2756 ( 19930 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6694 -21.6694 -21.6693 -21.6693 -11.0882 -11.0882 -10.6285 -10.6285 -10.4581 -10.4581 -10.4523 -10.4523 -10.4166 -10.4166 -10.4081 -10.4081 -6.3747 -6.3747 -6.3703 -6.3703 -5.5311 -5.5311 -5.5215 -5.5215 -5.4874 -5.4874 -5.4857 -5.4857 -0.5729 -0.5729 -0.1358 -0.1358 0.0917 0.0917 0.1273 0.1273 0.1642 0.1642 0.2666 0.2666 0.3108 0.3108 0.6110 0.6110 0.6457 0.6457 1.3560 1.3560 1.3877 1.3877 1.4125 1.4125 1.8866 1.8866 2.1085 2.1085 2.1575 2.1575 2.2169 2.2169 2.2376 2.2376 2.3217 2.3217 4.9377 4.9377 5.0016 5.0016 5.0362 5.0362 6.9207 6.9207 7.0039 7.0039 10.1117 10.1117 10.2146 10.2146 k = 0.5500 0.1443 0.2858 ( 19916 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6694 -21.6694 -21.6693 -21.6693 -11.0866 -11.0866 -10.6274 -10.6274 -10.4623 -10.4623 -10.4551 -10.4551 -10.4164 -10.4164 -10.4056 -10.4056 -6.3737 -6.3737 -6.3696 -6.3696 -5.5289 -5.5289 -5.5200 -5.5200 -5.4875 -5.4875 -5.4855 -5.4855 -0.5602 -0.5602 -0.1467 -0.1467 0.0944 0.0944 0.1250 0.1250 0.1759 0.1759 0.2637 0.2637 0.3121 0.3121 0.6039 0.6039 0.6436 0.6436 1.3683 1.3683 1.3921 1.3921 1.4267 1.4267 1.8653 1.8653 2.0797 2.0797 2.1484 2.1484 2.2064 2.2064 2.2346 2.2346 2.3222 2.3222 4.9397 4.9397 5.0049 5.0049 5.0427 5.0427 6.9018 6.9018 7.0080 7.0080 10.1510 10.1510 10.2536 10.2536 k = 0.5563 0.1263 0.2960 ( 19926 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6694 -21.6694 -21.6693 -21.6693 -11.0849 -11.0849 -10.6261 -10.6261 -10.4664 -10.4664 -10.4579 -10.4579 -10.4166 -10.4166 -10.4032 -10.4032 -6.3727 -6.3727 -6.3689 -6.3689 -5.5266 -5.5266 -5.5183 -5.5183 -5.4876 -5.4876 -5.4852 -5.4852 -0.5467 -0.5467 -0.1569 -0.1569 0.0933 0.0933 0.1251 0.1251 0.1836 0.1836 0.2663 0.2663 0.3139 0.3139 0.5959 0.5959 0.6412 0.6412 1.3792 1.3792 1.3975 1.3975 1.4445 1.4445 1.8422 1.8422 2.0476 2.0476 2.1378 2.1378 2.1962 2.1962 2.2296 2.2296 2.3248 2.3248 4.9403 4.9403 5.0096 5.0096 5.0498 5.0498 6.8816 6.8816 7.0127 7.0127 10.1940 10.1940 10.2964 10.2964 k = 0.5625 0.1083 0.3062 ( 19946 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6694 -21.6694 -21.6693 -21.6693 -11.0831 -11.0831 -10.6247 -10.6247 -10.4706 -10.4706 -10.4607 -10.4607 -10.4172 -10.4172 -10.4008 -10.4008 -6.3716 -6.3716 -6.3681 -6.3681 -5.5242 -5.5242 -5.5166 -5.5166 -5.4877 -5.4877 -5.4850 -5.4850 -0.5326 -0.5326 -0.1659 -0.1659 0.0871 0.0871 0.1286 0.1286 0.1868 0.1868 0.2750 0.2750 0.3164 0.3164 0.5871 0.5871 0.6385 0.6385 1.3888 1.3888 1.4039 1.4039 1.4652 1.4652 1.8176 1.8176 2.0126 2.0126 2.1259 2.1259 2.1862 2.1862 2.2223 2.2223 2.3296 2.3296 4.9395 4.9395 5.0156 5.0156 5.0573 5.0573 6.8605 6.8605 7.0178 7.0178 10.2400 10.2400 10.3422 10.3422 k = 0.5687 0.0902 0.3164 ( 19937 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6694 -21.6694 -21.6693 -21.6693 -11.0812 -11.0812 -10.6233 -10.6233 -10.4745 -10.4745 -10.4634 -10.4634 -10.4181 -10.4181 -10.3985 -10.3985 -6.3704 -6.3704 -6.3673 -6.3673 -5.5217 -5.5217 -5.5148 -5.5148 -5.4878 -5.4878 -5.4847 -5.4847 -0.5183 -0.5183 -0.1737 -0.1737 0.0769 0.0769 0.1344 0.1344 0.1872 0.1872 0.2878 0.2878 0.3201 0.3201 0.5779 0.5779 0.6354 0.6354 1.3976 1.3976 1.4113 1.4113 1.4879 1.4879 1.7918 1.7918 1.9756 1.9756 2.1128 2.1128 2.1766 2.1766 2.2129 2.2129 2.3362 2.3362 4.9374 4.9374 5.0226 5.0226 5.0651 5.0651 6.8388 6.8388 7.0234 7.0234 10.2880 10.2880 10.3907 10.3907 k = 0.5750 0.0722 0.3266 ( 19917 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6695 -21.6695 -21.6692 -21.6692 -11.0793 -11.0793 -10.6217 -10.6217 -10.4783 -10.4783 -10.4661 -10.4661 -10.4193 -10.4193 -10.3963 -10.3963 -6.3693 -6.3693 -6.3664 -6.3664 -5.5192 -5.5192 -5.5131 -5.5131 -5.4879 -5.4879 -5.4844 -5.4844 -0.5043 -0.5043 -0.1800 -0.1800 0.0639 0.0639 0.1415 0.1415 0.1869 0.1869 0.3014 0.3014 0.3262 0.3262 0.5683 0.5683 0.6318 0.6318 1.4061 1.4061 1.4195 1.4195 1.5117 1.5117 1.7652 1.7652 1.9373 1.9373 2.0990 2.0990 2.1673 2.1673 2.2020 2.2020 2.3443 2.3443 4.9341 4.9341 5.0304 5.0304 5.0730 5.0730 6.8168 6.8168 7.0294 7.0294 10.3367 10.3367 10.4414 10.4414 k = 0.5813 0.0541 0.3368 ( 19910 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6695 -21.6695 -21.6692 -21.6692 -11.0774 -11.0774 -10.6201 -10.6201 -10.4818 -10.4818 -10.4686 -10.4686 -10.4208 -10.4208 -10.3941 -10.3941 -6.3682 -6.3682 -6.3656 -6.3656 -5.5167 -5.5167 -5.5113 -5.5113 -5.4881 -5.4881 -5.4841 -5.4841 -0.4910 -0.4910 -0.1845 -0.1845 0.0489 0.0489 0.1493 0.1493 0.1872 0.1872 0.3120 0.3120 0.3369 0.3369 0.5587 0.5587 0.6276 0.6276 1.4147 1.4147 1.4284 1.4284 1.5357 1.5357 1.7381 1.7381 1.8989 1.8989 2.0845 2.0845 2.1580 2.1580 2.1902 2.1902 2.3534 2.3534 4.9300 4.9300 5.0386 5.0386 5.0809 5.0809 6.7949 6.7949 7.0358 7.0358 10.3847 10.3847 10.4938 10.4938 k = 0.5875 0.0361 0.3470 ( 19926 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6695 -21.6695 -21.6692 -21.6692 -11.0756 -11.0756 -10.6184 -10.6184 -10.4850 -10.4850 -10.4711 -10.4711 -10.4225 -10.4225 -10.3920 -10.3920 -6.3673 -6.3673 -6.3647 -6.3647 -5.5144 -5.5144 -5.5097 -5.5097 -5.4882 -5.4882 -5.4836 -5.4836 -0.4791 -0.4791 -0.1870 -0.1870 0.0327 0.0327 0.1573 0.1573 0.1887 0.1887 0.3189 0.3189 0.3518 0.3518 0.5495 0.5495 0.6229 0.6229 1.4235 1.4235 1.4377 1.4377 1.5586 1.5586 1.7110 1.7110 1.8615 1.8615 2.0697 2.0697 2.1483 2.1483 2.1783 2.1783 2.3634 2.3634 4.9252 4.9252 5.0470 5.0470 5.0885 5.0885 6.7734 6.7734 7.0426 7.0426 10.4299 10.4299 10.5477 10.5477 k = 0.5938 0.0180 0.3572 ( 19924 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6695 -21.6695 -21.6691 -21.6691 -11.0740 -11.0740 -10.6166 -10.6166 -10.4877 -10.4877 -10.4735 -10.4735 -10.4246 -10.4246 -10.3900 -10.3900 -6.3664 -6.3664 -6.3639 -6.3639 -5.5123 -5.5123 -5.5082 -5.5082 -5.4883 -5.4883 -5.4832 -5.4832 -0.4690 -0.4690 -0.1874 -0.1874 0.0158 0.0158 0.1654 0.1654 0.1917 0.1917 0.3244 0.3244 0.3678 0.3678 0.5411 0.5411 0.6175 0.6175 1.4325 1.4325 1.4474 1.4474 1.5785 1.5785 1.6845 1.6845 1.8273 1.8273 2.0548 2.0548 2.1378 2.1378 2.1670 2.1670 2.3739 2.3739 4.9198 4.9198 5.0552 5.0552 5.0958 5.0958 6.7526 6.7526 7.0497 7.0497 10.4703 10.4703 10.6026 10.6026 k = 0.6000 0.0000 0.3674 ( 19937 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6696 -21.6696 -21.6691 -21.6691 -11.0725 -11.0725 -10.6148 -10.6148 -10.4900 -10.4900 -10.4757 -10.4757 -10.4268 -10.4268 -10.3881 -10.3881 -6.3657 -6.3657 -6.3630 -6.3630 -5.5105 -5.5105 -5.5067 -5.5067 -5.4883 -5.4883 -5.4827 -5.4827 -0.4611 -0.4611 -0.1857 -0.1857 -0.0013 -0.0013 0.1735 0.1735 0.1964 0.1964 0.3295 0.3295 0.3827 0.3827 0.5342 0.5342 0.6115 0.6115 1.4417 1.4417 1.4572 1.4572 1.5922 1.5922 1.6597 1.6597 1.7996 1.7996 2.0401 2.0401 2.1260 2.1260 2.1573 2.1573 2.3847 2.3847 4.9141 4.9141 5.0631 5.0631 5.1027 5.1027 6.7327 6.7327 7.0571 7.0571 10.5039 10.5039 10.6581 10.6581 k = 0.6062-0.0180 0.3776 ( 19939 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6696 -21.6696 -21.6690 -21.6690 -11.0712 -11.0712 -10.6128 -10.6128 -10.4919 -10.4919 -10.4779 -10.4779 -10.4293 -10.4293 -10.3863 -10.3863 -6.3651 -6.3651 -6.3622 -6.3622 -5.5091 -5.5091 -5.5054 -5.5054 -5.4883 -5.4883 -5.4821 -5.4821 -0.4557 -0.4557 -0.1820 -0.1820 -0.0182 -0.0182 0.1816 0.1816 0.2026 0.2026 0.3348 0.3348 0.3951 0.3951 0.5297 0.5297 0.6049 0.6049 1.4507 1.4507 1.4667 1.4667 1.5947 1.5947 1.6382 1.6382 1.7828 1.7828 2.0260 2.0260 2.1129 2.1129 2.1493 2.1493 2.3958 2.3958 4.9082 4.9082 5.0705 5.0705 5.1091 5.1091 6.7141 6.7141 7.0647 7.0647 10.5289 10.5289 10.7128 10.7128 k = 0.6125-0.0361 0.3878 ( 19938 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6697 -21.6697 -21.6690 -21.6690 -11.0702 -11.0702 -10.6108 -10.6108 -10.4931 -10.4931 -10.4799 -10.4799 -10.4320 -10.4320 -10.3845 -10.3845 -6.3648 -6.3648 -6.3614 -6.3614 -5.5083 -5.5083 -5.5040 -5.5040 -5.4883 -5.4883 -5.4815 -5.4815 -0.4528 -0.4528 -0.1768 -0.1768 -0.0346 -0.0346 0.1895 0.1895 0.2104 0.2104 0.3401 0.3401 0.4037 0.4037 0.5284 0.5284 0.5977 0.5977 1.4588 1.4588 1.4752 1.4752 1.5843 1.5843 1.6204 1.6204 1.7802 1.7802 2.0126 2.0126 2.0991 2.0991 2.1429 2.1429 2.4070 2.4070 4.9020 4.9020 5.0774 5.0774 5.1148 5.1148 6.6969 6.6969 7.0726 7.0726 10.5442 10.5442 10.7655 10.7655 k = 0.6188-0.0541 0.3980 ( 19929 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6697 -21.6697 -21.6689 -21.6689 -11.0695 -11.0695 -10.6086 -10.6086 -10.4939 -10.4939 -10.4817 -10.4817 -10.4348 -10.4348 -10.3829 -10.3829 -6.3647 -6.3647 -6.3606 -6.3606 -5.5081 -5.5081 -5.5028 -5.5028 -5.4882 -5.4882 -5.4808 -5.4808 -0.4523 -0.4523 -0.1704 -0.1704 -0.0503 -0.0503 0.1972 0.1972 0.2198 0.2198 0.3456 0.3456 0.4076 0.4076 0.5308 0.5308 0.5899 0.5899 1.4651 1.4651 1.4815 1.4815 1.5672 1.5672 1.6045 1.6045 1.7902 1.7902 2.0004 2.0004 2.0851 2.0851 2.1379 2.1379 2.4182 2.4182 4.8957 4.8957 5.0835 5.0835 5.1198 5.1198 6.6813 6.6813 7.0806 7.0806 10.5489 10.5489 10.8139 10.8139 k = 0.6250-0.0722 0.4082 ( 19953 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6698 -21.6698 -21.6688 -21.6688 -11.0692 -11.0692 -10.6062 -10.6062 -10.4941 -10.4941 -10.4834 -10.4834 -10.4378 -10.4378 -10.3813 -10.3813 -6.3647 -6.3647 -6.3600 -6.3600 -5.5083 -5.5083 -5.5018 -5.5018 -5.4882 -5.4882 -5.4801 -5.4801 -0.4541 -0.4541 -0.1635 -0.1635 -0.0650 -0.0650 0.2045 0.2045 0.2307 0.2307 0.3510 0.3510 0.4073 0.4073 0.5365 0.5365 0.5819 0.5819 1.4677 1.4677 1.4834 1.4834 1.5513 1.5513 1.5923 1.5923 1.8079 1.8079 1.9896 1.9896 2.0715 2.0715 2.1340 2.1340 2.4294 2.4294 4.8894 4.8894 5.0888 5.0888 5.1241 5.1241 6.6676 6.6676 7.0887 7.0887 10.5427 10.5427 10.8553 10.8553 k = 0.6250-0.0722 0.4082 ( 19953 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6698 -21.6698 -21.6688 -21.6688 -11.0692 -11.0692 -10.6062 -10.6062 -10.4941 -10.4941 -10.4834 -10.4834 -10.4378 -10.4378 -10.3813 -10.3813 -6.3647 -6.3647 -6.3600 -6.3600 -5.5083 -5.5083 -5.5018 -5.5018 -5.4882 -5.4882 -5.4801 -5.4801 -0.4541 -0.4541 -0.1635 -0.1635 -0.0650 -0.0650 0.2045 0.2045 0.2307 0.2307 0.3510 0.3510 0.4073 0.4073 0.5365 0.5365 0.5819 0.5819 1.4677 1.4677 1.4834 1.4834 1.5513 1.5513 1.5923 1.5923 1.8079 1.8079 1.9896 1.9896 2.0715 2.0715 2.1340 2.1340 2.4294 2.4294 4.8894 4.8894 5.0888 5.0888 5.1241 5.1241 6.6676 6.6676 7.0887 7.0887 10.5427 10.5427 10.8553 10.8553 k = 0.6146-0.0662 0.4253 ( 19927 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6698 -21.6698 -21.6688 -21.6688 -11.0692 -11.0692 -10.6062 -10.6062 -10.4942 -10.4942 -10.4837 -10.4837 -10.4373 -10.4373 -10.3815 -10.3815 -6.3647 -6.3647 -6.3600 -6.3600 -5.5082 -5.5082 -5.5017 -5.5017 -5.4882 -5.4882 -5.4802 -5.4802 -0.4532 -0.4532 -0.1645 -0.1645 -0.0644 -0.0644 0.2042 0.2042 0.2289 0.2289 0.3527 0.3527 0.4078 0.4078 0.5361 0.5361 0.5817 0.5817 1.4660 1.4660 1.4831 1.4831 1.5536 1.5536 1.5930 1.5930 1.8084 1.8084 1.9857 1.9857 2.0762 2.0762 2.1319 2.1319 2.4283 2.4283 4.8902 4.8902 5.0870 5.0870 5.1254 5.1254 6.6680 6.6680 7.0881 7.0881 10.5456 10.5456 10.8572 10.8572 k = 0.6042-0.0601 0.4423 ( 19946 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6698 -21.6698 -21.6689 -21.6689 -11.0690 -11.0690 -10.6064 -10.6064 -10.4943 -10.4943 -10.4847 -10.4847 -10.4359 -10.4359 -10.3819 -10.3819 -6.3646 -6.3646 -6.3599 -6.3599 -5.5080 -5.5080 -5.5016 -5.5016 -5.4882 -5.4882 -5.4804 -5.4804 -0.4505 -0.4505 -0.1674 -0.1674 -0.0626 -0.0626 0.2026 0.2026 0.2247 0.2247 0.3571 0.3571 0.4096 0.4096 0.5348 0.5348 0.5810 0.5810 1.4617 1.4617 1.4820 1.4820 1.5597 1.5597 1.5956 1.5956 1.8098 1.8098 1.9757 1.9757 2.0881 2.0881 2.1259 2.1259 2.4249 2.4249 4.8928 4.8928 5.0820 5.0820 5.1287 5.1287 6.6692 6.6692 7.0862 7.0862 10.5544 10.5544 10.8628 10.8628 k = 0.5938-0.0541 0.4593 ( 19944 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6698 -21.6698 -21.6689 -21.6689 -11.0687 -11.0687 -10.6067 -10.6067 -10.4945 -10.4945 -10.4860 -10.4860 -10.4338 -10.4338 -10.3826 -10.3826 -6.3644 -6.3644 -6.3599 -6.3599 -5.5076 -5.5076 -5.5013 -5.5013 -5.4882 -5.4882 -5.4806 -5.4806 -0.4463 -0.4463 -0.1720 -0.1720 -0.0595 -0.0595 0.1965 0.1965 0.2221 0.2221 0.3635 0.3635 0.4124 0.4124 0.5327 0.5327 0.5800 0.5800 1.4560 1.4560 1.4802 1.4802 1.5673 1.5673 1.6008 1.6008 1.8120 1.8120 1.9631 1.9631 2.1034 2.1034 2.1166 2.1166 2.4194 2.4194 4.8969 4.8969 5.0751 5.0751 5.1328 5.1328 6.6710 6.6710 7.0832 7.0832 10.5690 10.5690 10.8717 10.8717 k = 0.5833-0.0481 0.4763 ( 19929 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6697 -21.6697 -21.6689 -21.6689 -11.0683 -11.0683 -10.6070 -10.6070 -10.4948 -10.4948 -10.4876 -10.4876 -10.4312 -10.4312 -10.3836 -10.3836 -6.3642 -6.3642 -6.3599 -6.3599 -5.5070 -5.5070 -5.5010 -5.5010 -5.4883 -5.4883 -5.4810 -5.4810 -0.4404 -0.4404 -0.1782 -0.1782 -0.0551 -0.0551 0.1849 0.1849 0.2228 0.2228 0.3707 0.3707 0.4164 0.4164 0.5298 0.5298 0.5786 0.5786 1.4501 1.4501 1.4778 1.4778 1.5743 1.5743 1.6099 1.6099 1.8147 1.8147 1.9498 1.9498 2.1013 2.1013 2.1235 2.1235 2.4118 2.4118 4.9026 4.9026 5.0670 5.0670 5.1371 5.1371 6.6734 6.6734 7.0793 7.0793 10.5892 10.5892 10.8837 10.8837 k = 0.5729-0.0421 0.4933 ( 19934 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6697 -21.6697 -21.6689 -21.6689 -11.0679 -11.0679 -10.6074 -10.6074 -10.4953 -10.4953 -10.4892 -10.4892 -10.4282 -10.4282 -10.3849 -10.3849 -6.3640 -6.3640 -6.3599 -6.3599 -5.5063 -5.5063 -5.5006 -5.5006 -5.4883 -5.4883 -5.4815 -5.4815 -0.4333 -0.4333 -0.1857 -0.1857 -0.0493 -0.0493 0.1698 0.1698 0.2253 0.2253 0.3782 0.3782 0.4216 0.4216 0.5261 0.5261 0.5769 0.5769 1.4445 1.4445 1.4749 1.4749 1.5797 1.5797 1.6229 1.6229 1.8176 1.8176 1.9368 1.9368 2.0851 2.0851 2.1426 2.1426 2.4021 2.4021 4.9096 4.9096 5.0580 5.0580 5.1412 5.1412 6.6763 6.6763 7.0746 7.0746 10.6145 10.6145 10.8979 10.8979 k = 0.5625-0.0361 0.5103 ( 19932 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6697 -21.6697 -21.6690 -21.6690 -11.0674 -11.0674 -10.6079 -10.6079 -10.4958 -10.4958 -10.4906 -10.4906 -10.4250 -10.4250 -10.3864 -10.3864 -6.3637 -6.3637 -6.3599 -6.3599 -5.5055 -5.5055 -5.5002 -5.5002 -5.4883 -5.4883 -5.4820 -5.4820 -0.4252 -0.4252 -0.1941 -0.1941 -0.0421 -0.0421 0.1528 0.1528 0.2286 0.2286 0.3853 0.3853 0.4278 0.4278 0.5216 0.5216 0.5748 0.5748 1.4396 1.4396 1.4717 1.4717 1.5838 1.5838 1.6387 1.6387 1.8202 1.8202 1.9247 1.9247 2.0666 2.0666 2.1626 2.1626 2.3906 2.3906 4.9178 4.9178 5.0485 5.0485 5.1449 5.1449 6.6795 6.6795 7.0695 7.0695 10.6448 10.6448 10.9134 10.9134 k = 0.5521-0.0301 0.5273 ( 19922 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6696 -21.6696 -21.6690 -21.6690 -11.0669 -11.0669 -10.6085 -10.6085 -10.4965 -10.4965 -10.4918 -10.4918 -10.4217 -10.4217 -10.3881 -10.3881 -6.3633 -6.3633 -6.3599 -6.3599 -5.5046 -5.5046 -5.4997 -5.4997 -5.4884 -5.4884 -5.4825 -5.4825 -0.4164 -0.4164 -0.2029 -0.2029 -0.0333 -0.0333 0.1348 0.1348 0.2318 0.2318 0.3918 0.3918 0.4351 0.4351 0.5163 0.5163 0.5726 0.5726 1.4356 1.4356 1.4683 1.4683 1.5874 1.5874 1.6564 1.6564 1.8217 1.8217 1.9137 1.9137 2.0469 2.0469 2.1831 2.1831 2.3773 2.3773 4.9270 4.9270 5.0385 5.0385 5.1481 5.1481 6.6827 6.6827 7.0643 7.0643 10.6793 10.6793 10.9285 10.9285 k = 0.5417-0.0241 0.5443 ( 19921 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6696 -21.6696 -21.6691 -21.6691 -11.0663 -11.0663 -10.6090 -10.6090 -10.4973 -10.4973 -10.4927 -10.4927 -10.4184 -10.4184 -10.3900 -10.3900 -6.3630 -6.3630 -6.3599 -6.3599 -5.5037 -5.5037 -5.4994 -5.4994 -5.4884 -5.4884 -5.4831 -5.4831 -0.4075 -0.4075 -0.2116 -0.2116 -0.0231 -0.0231 0.1161 0.1161 0.2346 0.2346 0.3974 0.3974 0.4434 0.4434 0.5103 0.5103 0.5703 0.5703 1.4325 1.4325 1.4651 1.4651 1.5908 1.5908 1.6750 1.6750 1.8212 1.8212 1.9043 1.9043 2.0277 2.0277 2.2036 2.2036 2.3624 2.3624 4.9369 4.9369 5.0282 5.0282 5.1507 5.1507 6.6857 6.6857 7.0593 7.0593 10.7175 10.7175 10.9408 10.9408 k = 0.5312-0.0180 0.5613 ( 19915 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6695 -21.6695 -21.6691 -21.6691 -11.0659 -11.0659 -10.6095 -10.6095 -10.4979 -10.4979 -10.4934 -10.4934 -10.4152 -10.4152 -10.3920 -10.3920 -6.3626 -6.3626 -6.3600 -6.3600 -5.5027 -5.5027 -5.4991 -5.4991 -5.4885 -5.4885 -5.4836 -5.4836 -0.3991 -0.3991 -0.2196 -0.2196 -0.0112 -0.0112 0.0973 0.0973 0.2369 0.2369 0.4018 0.4018 0.4524 0.4524 0.5037 0.5037 0.5680 0.5680 1.4303 1.4303 1.4622 1.4622 1.5940 1.5940 1.6938 1.6938 1.8177 1.8177 1.8966 1.8966 2.0107 2.0107 2.2240 2.2240 2.3463 2.3463 4.9473 4.9473 5.0177 5.0177 5.1528 5.1528 6.6884 6.6884 7.0549 7.0549 10.7584 10.7584 10.9467 10.9467 k = 0.5208-0.0120 0.5784 ( 19919 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6695 -21.6695 -21.6692 -21.6692 -11.0655 -11.0655 -10.6100 -10.6100 -10.4985 -10.4985 -10.4938 -10.4938 -10.4125 -10.4125 -10.3939 -10.3939 -6.3622 -6.3622 -6.3602 -6.3602 -5.5018 -5.5018 -5.4990 -5.4990 -5.4886 -5.4886 -5.4840 -5.4840 -0.3920 -0.3920 -0.2263 -0.2263 0.0019 0.0019 0.0789 0.0789 0.2385 0.2385 0.4051 0.4051 0.4619 0.4619 0.4964 0.4964 0.5660 0.5660 1.4289 1.4289 1.4599 1.4599 1.5969 1.5969 1.7119 1.7119 1.8105 1.8105 1.8908 1.8908 1.9978 1.9978 2.2440 2.2440 2.3293 2.3293 4.9577 4.9577 5.0074 5.0074 5.1543 5.1543 6.6905 6.6905 7.0514 7.0514 10.8011 10.8011 10.9413 10.9413 k = 0.5104-0.0060 0.5954 ( 19909 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6694 -21.6694 -21.6692 -21.6692 -11.0652 -11.0652 -10.6103 -10.6103 -10.4988 -10.4988 -10.4941 -10.4941 -10.4104 -10.4104 -10.3955 -10.3955 -6.3620 -6.3620 -6.3603 -6.3603 -5.5011 -5.5011 -5.4991 -5.4991 -5.4887 -5.4887 -5.4842 -5.4842 -0.3872 -0.3872 -0.2307 -0.2307 0.0154 0.0154 0.0621 0.0621 0.2394 0.2394 0.4071 0.4071 0.4715 0.4715 0.4886 0.4886 0.5644 0.5644 1.4280 1.4280 1.4584 1.4584 1.5992 1.5992 1.7268 1.7268 1.8013 1.8013 1.8872 1.8872 1.9901 1.9901 2.2623 2.2623 2.3126 2.3126 4.9673 4.9673 4.9979 4.9979 5.1552 5.1552 6.6918 6.6918 7.0491 7.0491 10.8442 10.8442 10.9211 10.9211 k = 0.5000 0.0000 0.6124 ( 19908 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6693 -21.6693 -21.6693 -21.6693 -11.0651 -11.0651 -10.6104 -10.6104 -10.4989 -10.4989 -10.4943 -10.4943 -10.4096 -10.4096 -10.3961 -10.3961 -6.3618 -6.3618 -6.3603 -6.3603 -5.5007 -5.5007 -5.4993 -5.4993 -5.4887 -5.4887 -5.4843 -5.4843 -0.3855 -0.3855 -0.2323 -0.2323 0.0236 0.0236 0.0529 0.0529 0.2397 0.2397 0.4077 0.4077 0.4802 0.4802 0.4806 0.4806 0.5638 0.5638 1.4278 1.4278 1.4579 1.4579 1.6001 1.6001 1.7334 1.7334 1.7962 1.7962 1.8859 1.8859 1.9877 1.9877 2.2725 2.2725 2.3028 2.3028 4.9724 4.9724 4.9930 4.9930 5.1555 5.1555 6.6922 6.6922 7.0483 7.0483 10.8835 10.8835 10.8892 10.8892 k = 0.5000 0.0000 0.6124 ( 19908 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6693 -21.6693 -21.6693 -21.6693 -11.0651 -11.0651 -10.6104 -10.6104 -10.4989 -10.4989 -10.4943 -10.4943 -10.4096 -10.4096 -10.3961 -10.3961 -6.3618 -6.3618 -6.3603 -6.3603 -5.5007 -5.5007 -5.4993 -5.4993 -5.4887 -5.4887 -5.4843 -5.4843 -0.3855 -0.3855 -0.2323 -0.2323 0.0236 0.0236 0.0529 0.0529 0.2397 0.2397 0.4077 0.4077 0.4802 0.4802 0.4806 0.4806 0.5638 0.5638 1.4278 1.4278 1.4579 1.4579 1.6001 1.6001 1.7334 1.7334 1.7962 1.7962 1.8859 1.8859 1.9877 1.9877 2.2725 2.2725 2.3028 2.3028 4.9724 4.9724 4.9930 4.9930 5.1555 5.1555 6.6922 6.6922 7.0483 7.0483 10.8835 10.8835 10.8892 10.8892 k = 0.5000 0.0126 0.5946 ( 19916 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6693 -21.6693 -21.6693 -21.6693 -11.0653 -11.0653 -10.6105 -10.6105 -10.4986 -10.4986 -10.4940 -10.4940 -10.4096 -10.4096 -10.3962 -10.3962 -6.3619 -6.3619 -6.3604 -6.3604 -5.5009 -5.5009 -5.4994 -5.4994 -5.4887 -5.4887 -5.4843 -5.4843 -0.3867 -0.3867 -0.2320 -0.2320 0.0243 0.0243 0.0537 0.0537 0.2387 0.2387 0.4063 0.4063 0.4764 0.4764 0.4826 0.4826 0.5659 0.5659 1.4285 1.4285 1.4585 1.4585 1.5990 1.5990 1.7321 1.7321 1.7956 1.7956 1.8887 1.8887 1.9909 1.9909 2.2724 2.2724 2.3028 2.3028 4.9723 4.9723 4.9929 4.9929 5.1548 5.1548 6.6935 6.6935 7.0481 7.0481 10.8746 10.8746 10.8814 10.8814 k = 0.5000 0.0251 0.5769 ( 19922 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6693 -21.6693 -21.6693 -21.6693 -11.0657 -11.0657 -10.6109 -10.6109 -10.4979 -10.4979 -10.4934 -10.4934 -10.4096 -10.4096 -10.3963 -10.3963 -6.3621 -6.3621 -6.3606 -6.3606 -5.5014 -5.5014 -5.4999 -5.4999 -5.4886 -5.4886 -5.4843 -5.4843 -0.3903 -0.3903 -0.2309 -0.2309 0.0266 0.0266 0.0563 0.0563 0.2356 0.2356 0.4022 0.4022 0.4679 0.4679 0.4863 0.4863 0.5714 0.5714 1.4295 1.4295 1.4614 1.4614 1.5963 1.5963 1.7266 1.7266 1.7963 1.7963 1.8963 1.8963 1.9999 1.9999 2.2722 2.2722 2.3026 2.3026 4.9722 4.9722 4.9928 4.9928 5.1528 5.1528 6.6972 6.6972 7.0473 7.0473 10.8469 10.8469 10.8622 10.8622 k = 0.5000 0.0377 0.5591 ( 19926 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6693 -21.6693 -21.6693 -21.6693 -11.0664 -11.0664 -10.6115 -10.6115 -10.4968 -10.4968 -10.4923 -10.4923 -10.4096 -10.4096 -10.3966 -10.3966 -6.3624 -6.3624 -6.3609 -6.3609 -5.5023 -5.5023 -5.5007 -5.5007 -5.4885 -5.4885 -5.4843 -5.4843 -0.3961 -0.3961 -0.2292 -0.2292 0.0304 0.0304 0.0606 0.0606 0.2306 0.2306 0.3960 0.3960 0.4558 0.4558 0.4917 0.4917 0.5788 0.5788 1.4287 1.4287 1.4673 1.4673 1.5936 1.5936 1.7145 1.7145 1.8022 1.8022 1.9078 1.9078 2.0133 2.0133 2.2719 2.2719 2.3023 2.3023 4.9719 4.9719 4.9926 4.9926 5.1495 5.1495 6.7033 6.7033 7.0461 7.0461 10.8057 10.8057 10.8336 10.8336 k = 0.5000 0.0502 0.5414 ( 19932 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6693 -21.6693 -21.6693 -21.6693 -11.0674 -11.0674 -10.6124 -10.6124 -10.4953 -10.4953 -10.4909 -10.4909 -10.4095 -10.4095 -10.3969 -10.3969 -6.3629 -6.3629 -6.3614 -6.3614 -5.5035 -5.5035 -5.5017 -5.5017 -5.4884 -5.4884 -5.4843 -5.4843 -0.4041 -0.4041 -0.2267 -0.2267 0.0354 0.0354 0.0665 0.0665 0.2240 0.2240 0.3881 0.3881 0.4413 0.4413 0.4987 0.4987 0.5869 0.5869 1.4254 1.4254 1.4753 1.4753 1.5932 1.5932 1.6963 1.6963 1.8137 1.8137 1.9223 1.9223 2.0296 2.0296 2.2713 2.2713 2.3019 2.3019 4.9714 4.9714 4.9923 4.9923 5.1450 5.1450 6.7118 6.7118 7.0443 7.0443 10.7563 10.7563 10.7969 10.7969 k = 0.5000 0.0628 0.5236 ( 19932 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6693 -21.6693 -21.6693 -21.6693 -11.0686 -11.0686 -10.6134 -10.6134 -10.4934 -10.4934 -10.4890 -10.4890 -10.4095 -10.4095 -10.3973 -10.3973 -6.3635 -6.3635 -6.3619 -6.3619 -5.5051 -5.5051 -5.5029 -5.5029 -5.4883 -5.4883 -5.4844 -5.4844 -0.4140 -0.4140 -0.2236 -0.2236 0.0415 0.0415 0.0738 0.0738 0.2160 0.2160 0.3791 0.3791 0.4252 0.4252 0.5069 0.5069 0.5950 0.5950 1.4204 1.4204 1.4818 1.4818 1.5983 1.5983 1.6742 1.6742 1.8297 1.8297 1.9393 1.9393 2.0475 2.0475 2.2704 2.2704 2.3016 2.3016 4.9707 4.9707 4.9922 4.9922 5.1393 5.1393 6.7225 6.7225 7.0421 7.0421 10.7018 10.7018 10.7542 10.7542 k = 0.5000 0.0753 0.5059 ( 19926 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6693 -21.6693 -21.6693 -21.6693 -11.0700 -11.0700 -10.6146 -10.6146 -10.4911 -10.4911 -10.4868 -10.4868 -10.4095 -10.4095 -10.3978 -10.3978 -6.3642 -6.3642 -6.3625 -6.3625 -5.5069 -5.5069 -5.5042 -5.5042 -5.4881 -5.4881 -5.4844 -5.4844 -0.4256 -0.4256 -0.2196 -0.2196 0.0485 0.0485 0.0825 0.0825 0.2071 0.2071 0.3693 0.3693 0.4081 0.4081 0.5159 0.5159 0.6027 0.6027 1.4144 1.4144 1.4838 1.4838 1.6098 1.6098 1.6509 1.6509 1.8488 1.8488 1.9581 1.9581 2.0662 2.0662 2.2692 2.2692 2.3015 2.3015 4.9697 4.9697 4.9921 4.9921 5.1325 5.1325 6.7353 6.7353 7.0395 7.0395 10.6442 10.6442 10.7069 10.7069 k = 0.5000 0.0879 0.4881 ( 19928 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6693 -21.6693 -21.6693 -21.6693 -11.0715 -11.0715 -10.6159 -10.6159 -10.4885 -10.4885 -10.4844 -10.4844 -10.4096 -10.4096 -10.3985 -10.3985 -6.3650 -6.3650 -6.3632 -6.3632 -5.5090 -5.5090 -5.5057 -5.5057 -5.4880 -5.4880 -5.4845 -5.4845 -0.4387 -0.4387 -0.2148 -0.2148 0.0560 0.0560 0.0923 0.0923 0.1976 0.1976 0.3589 0.3589 0.3907 0.3907 0.5257 0.5257 0.6098 0.6098 1.4080 1.4080 1.4810 1.4810 1.6136 1.6136 1.6414 1.6414 1.8704 1.8704 1.9783 1.9783 2.0849 2.0849 2.2677 2.2677 2.3015 2.3015 4.9683 4.9683 4.9921 4.9921 5.1246 5.1246 6.7500 6.7500 7.0365 7.0365 10.5850 10.5850 10.6566 10.6566 k = 0.5000 0.1004 0.4704 ( 19928 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6693 -21.6693 -21.6693 -21.6693 -11.0733 -11.0733 -10.6174 -10.6174 -10.4855 -10.4855 -10.4816 -10.4816 -10.4097 -10.4097 -10.3992 -10.3992 -6.3660 -6.3660 -6.3640 -6.3640 -5.5113 -5.5113 -5.5073 -5.5073 -5.4879 -5.4879 -5.4846 -5.4846 -0.4528 -0.4528 -0.2093 -0.2093 0.0639 0.0639 0.1028 0.1028 0.1881 0.1881 0.3476 0.3476 0.3737 0.3737 0.5358 0.5358 0.6163 0.6163 1.4015 1.4015 1.4745 1.4745 1.5908 1.5908 1.6631 1.6631 1.8940 1.8940 1.9995 1.9995 2.1033 2.1033 2.2657 2.2657 2.3018 2.3018 4.9666 4.9666 4.9924 4.9924 5.1159 5.1159 6.7663 6.7663 7.0332 7.0332 10.5253 10.5253 10.6044 10.6044 k = 0.5000 0.1130 0.4526 ( 19920 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6693 -21.6693 -21.6693 -21.6693 -11.0751 -11.0751 -10.6188 -10.6188 -10.4824 -10.4824 -10.4786 -10.4786 -10.4099 -10.4099 -10.4001 -10.4001 -6.3670 -6.3670 -6.3647 -6.3647 -5.5138 -5.5138 -5.5091 -5.5091 -5.4878 -5.4878 -5.4847 -5.4847 -0.4679 -0.4679 -0.2029 -0.2029 0.0719 0.0719 0.1135 0.1135 0.1791 0.1791 0.3346 0.3346 0.3586 0.3586 0.5462 0.5462 0.6220 0.6220 1.3952 1.3952 1.4661 1.4661 1.5639 1.5639 1.6918 1.6918 1.9193 1.9193 2.0211 2.0211 2.1211 2.1211 2.2633 2.2633 2.3025 2.3025 4.9645 4.9645 4.9928 4.9928 5.1065 5.1065 6.7841 6.7841 7.0297 7.0297 10.4660 10.4660 10.5512 10.5512 k = 0.5000 0.1255 0.4349 ( 19938 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6693 -21.6693 -21.6693 -21.6693 -11.0771 -11.0771 -10.6203 -10.6203 -10.4790 -10.4790 -10.4754 -10.4754 -10.4101 -10.4101 -10.4011 -10.4011 -6.3681 -6.3681 -6.3656 -6.3656 -5.5163 -5.5163 -5.5109 -5.5109 -5.4878 -5.4878 -5.4848 -5.4848 -0.4835 -0.4835 -0.1957 -0.1957 0.0796 0.0796 0.1230 0.1230 0.1720 0.1720 0.3192 0.3192 0.3466 0.3466 0.5567 0.5567 0.6270 0.6270 1.3893 1.3893 1.4566 1.4566 1.5366 1.5366 1.7223 1.7223 1.9461 1.9461 2.0428 2.0428 2.1380 2.1380 2.2605 2.2605 2.3035 2.3035 4.9620 4.9620 4.9933 4.9933 5.0965 5.0965 6.8030 6.8030 7.0259 7.0259 10.4077 10.4077 10.4979 10.4979 k = 0.5000 0.1381 0.4171 ( 19928 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6694 -21.6694 -21.6693 -21.6693 -11.0790 -11.0790 -10.6218 -10.6218 -10.4755 -10.4755 -10.4720 -10.4720 -10.4105 -10.4105 -10.4022 -10.4022 -6.3692 -6.3692 -6.3664 -6.3664 -5.5189 -5.5189 -5.5127 -5.5127 -5.4877 -5.4877 -5.4849 -5.4849 -0.4993 -0.4993 -0.1877 -0.1877 0.0868 0.0868 0.1291 0.1291 0.1687 0.1687 0.3025 0.3025 0.3373 0.3373 0.5670 0.5670 0.6314 0.6314 1.3838 1.3838 1.4467 1.4467 1.5096 1.5096 1.7532 1.7532 1.9740 1.9740 2.0641 2.0641 2.1539 2.1539 2.2574 2.2574 2.3050 2.3050 4.9591 4.9591 4.9940 4.9940 5.0862 5.0862 6.8227 6.8227 7.0220 7.0220 10.3511 10.3511 10.4453 10.4453 k = 0.5000 0.1506 0.3994 ( 19916 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6694 -21.6694 -21.6693 -21.6693 -11.0810 -11.0810 -10.6233 -10.6233 -10.4719 -10.4719 -10.4686 -10.4686 -10.4110 -10.4110 -10.4034 -10.4034 -6.3703 -6.3703 -6.3672 -6.3672 -5.5215 -5.5215 -5.5146 -5.5146 -5.4876 -5.4876 -5.4851 -5.4851 -0.5151 -0.5151 -0.1788 -0.1788 0.0930 0.0930 0.1298 0.1298 0.1708 0.1708 0.2859 0.2859 0.3301 0.3301 0.5770 0.5770 0.6351 0.6351 1.3785 1.3785 1.4368 1.4368 1.4836 1.4836 1.7832 1.7832 2.0027 2.0027 2.0846 2.0846 2.1688 2.1688 2.2539 2.2539 2.3069 2.3069 4.9559 4.9559 4.9948 4.9948 5.0758 5.0758 6.8430 6.8430 7.0180 7.0180 10.2969 10.2969 10.3941 10.3941 k = 0.5000 0.1632 0.3816 ( 19916 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6694 -21.6694 -21.6694 -21.6694 -11.0829 -11.0829 -10.6247 -10.6247 -10.4681 -10.4681 -10.4650 -10.4650 -10.4116 -10.4116 -10.4048 -10.4048 -6.3715 -6.3715 -6.3680 -6.3680 -5.5240 -5.5240 -5.5164 -5.5164 -5.4876 -5.4876 -5.4852 -5.4852 -0.5306 -0.5306 -0.1692 -0.1692 0.0976 0.0976 0.1273 0.1273 0.1754 0.1754 0.2717 0.2717 0.3242 0.3242 0.5865 0.5865 0.6383 0.6383 1.3734 1.3734 1.4271 1.4271 1.4591 1.4591 1.8118 1.8118 2.0316 2.0316 2.1039 2.1039 2.1827 2.1827 2.2504 2.2504 2.3093 2.3093 4.9523 4.9523 4.9955 4.9955 5.0656 5.0656 6.8633 6.8633 7.0141 7.0141 10.2455 10.2455 10.3449 10.3449 k = 0.5000 0.1757 0.3639 ( 19906 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6694 -21.6694 -21.6694 -21.6694 -11.0848 -11.0848 -10.6261 -10.6261 -10.4644 -10.4644 -10.4614 -10.4614 -10.4123 -10.4123 -10.4063 -10.4063 -6.3726 -6.3726 -6.3688 -6.3688 -5.5265 -5.5265 -5.5182 -5.5182 -5.4875 -5.4875 -5.4854 -5.4854 -0.5454 -0.5454 -0.1590 -0.1590 0.0992 0.0992 0.1252 0.1252 0.1774 0.1774 0.2623 0.2623 0.3195 0.3195 0.5955 0.5955 0.6411 0.6411 1.3680 1.3680 1.4175 1.4175 1.4371 1.4371 1.8385 1.8385 2.0602 2.0602 2.1216 2.1216 2.1957 2.1957 2.2468 2.2468 2.3119 2.3119 4.9484 4.9484 4.9962 4.9962 5.0558 5.0558 6.8834 6.8834 7.0102 7.0102 10.1975 10.1975 10.2985 10.2985 k = 0.5000 0.1883 0.3461 ( 19898 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6694 -21.6694 -21.6694 -21.6694 -11.0866 -11.0866 -10.6273 -10.6273 -10.4606 -10.4606 -10.4578 -10.4578 -10.4133 -10.4133 -10.4079 -10.4079 -6.3737 -6.3737 -6.3696 -6.3696 -5.5288 -5.5288 -5.5199 -5.5199 -5.4874 -5.4874 -5.4855 -5.4855 -0.5595 -0.5595 -0.1481 -0.1481 0.0973 0.0973 0.1257 0.1257 0.1733 0.1733 0.2599 0.2599 0.3159 0.3159 0.6036 0.6036 0.6435 0.6435 1.3615 1.3615 1.4075 1.4075 1.4192 1.4192 1.8630 1.8630 2.0875 2.0875 2.1373 2.1373 2.2078 2.2078 2.2434 2.2434 2.3149 2.3149 4.9443 4.9443 4.9968 4.9968 5.0467 5.0467 6.9028 6.9028 7.0065 7.0065 10.1532 10.1532 10.2552 10.2552 k = 0.5000 0.2008 0.3284 ( 19894 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6694 -21.6694 -21.6694 -21.6694 -11.0882 -11.0882 -10.6285 -10.6285 -10.4568 -10.4568 -10.4543 -10.4543 -10.4144 -10.4144 -10.4097 -10.4097 -6.3747 -6.3747 -6.3703 -6.3703 -5.5310 -5.5310 -5.5215 -5.5215 -5.4874 -5.4874 -5.4857 -5.4857 -0.5724 -0.5724 -0.1367 -0.1367 0.0931 0.0931 0.1278 0.1278 0.1634 0.1634 0.2638 0.2638 0.3131 0.3131 0.6108 0.6108 0.6457 0.6457 1.3529 1.3529 1.3969 1.3969 1.4072 1.4072 1.8852 1.8852 2.1130 2.1130 2.1504 2.1504 2.2194 2.2194 2.2405 2.2405 2.3180 2.3180 4.9400 4.9400 4.9972 4.9972 5.0386 5.0386 6.9211 6.9211 7.0030 7.0030 10.1131 10.1131 10.2158 10.2158 k = 0.5000 0.2134 0.3106 ( 19910 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6694 -21.6694 -21.6694 -21.6694 -11.0897 -11.0897 -10.6295 -10.6295 -10.4531 -10.4531 -10.4508 -10.4508 -10.4158 -10.4158 -10.4115 -10.4115 -6.3756 -6.3756 -6.3709 -6.3709 -5.5330 -5.5330 -5.5229 -5.5229 -5.4873 -5.4873 -5.4858 -5.4858 -0.5840 -0.5840 -0.1249 -0.1249 0.0880 0.0880 0.1301 0.1301 0.1506 0.1506 0.2712 0.2712 0.3112 0.3112 0.6170 0.6170 0.6477 0.6477 1.3417 1.3417 1.3881 1.3881 1.3992 1.3992 1.9050 1.9050 2.1356 2.1356 2.1608 2.1608 2.2301 2.2301 2.2388 2.2388 2.3212 2.3212 4.9357 4.9357 4.9972 4.9972 5.0318 5.0318 6.9380 6.9380 6.9999 6.9999 10.0776 10.0776 10.1806 10.1806 k = 0.5000 0.2259 0.2929 ( 19910 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6694 -21.6694 -21.6694 -21.6694 -11.0910 -11.0910 -10.6304 -10.6304 -10.4495 -10.4495 -10.4476 -10.4476 -10.4173 -10.4173 -10.4133 -10.4133 -6.3764 -6.3764 -6.3715 -6.3715 -5.5347 -5.5347 -5.5242 -5.5242 -5.4872 -5.4872 -5.4860 -5.4860 -0.5942 -0.5942 -0.1132 -0.1132 0.0826 0.0826 0.1295 0.1295 0.1396 0.1396 0.2795 0.2795 0.3101 0.3101 0.6220 0.6220 0.6497 0.6497 1.3294 1.3294 1.3824 1.3824 1.3930 1.3930 1.9223 1.9223 2.1549 2.1549 2.1682 2.1682 2.2345 2.2345 2.2440 2.2440 2.3243 2.3243 4.9315 4.9315 4.9969 4.9969 5.0263 5.0263 6.9531 6.9531 6.9971 6.9971 10.0470 10.0470 10.1500 10.1500 k = 0.5000 0.2385 0.2751 ( 19908 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6694 -21.6694 -21.6694 -21.6694 -11.0920 -11.0920 -10.6311 -10.6311 -10.4460 -10.4460 -10.4445 -10.4445 -10.4190 -10.4190 -10.4151 -10.4151 -6.3771 -6.3771 -6.3720 -6.3720 -5.5361 -5.5361 -5.5252 -5.5252 -5.4872 -5.4872 -5.4861 -5.4861 -0.6027 -0.6027 -0.1017 -0.1017 0.0772 0.0772 0.1200 0.1200 0.1380 0.1380 0.2872 0.2872 0.3098 0.3098 0.6259 0.6259 0.6515 0.6515 1.3175 1.3175 1.3787 1.3787 1.3883 1.3883 1.9368 1.9368 2.1698 2.1698 2.1735 2.1735 2.2342 2.2342 2.2540 2.2540 2.3271 2.3271 4.9276 4.9276 4.9963 4.9963 5.0223 5.0223 6.9659 6.9659 6.9947 6.9947 10.0215 10.0215 10.1245 10.1245 k = 0.5000 0.2510 0.2574 ( 19908 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6694 -21.6694 -21.6694 -21.6694 -11.0929 -11.0929 -10.6317 -10.6317 -10.4428 -10.4428 -10.4418 -10.4418 -10.4209 -10.4209 -10.4168 -10.4168 -6.3776 -6.3776 -6.3723 -6.3723 -5.5373 -5.5373 -5.5260 -5.5260 -5.4871 -5.4871 -5.4862 -5.4862 -0.6094 -0.6094 -0.0912 -0.0912 0.0716 0.0716 0.1094 0.1094 0.1392 0.1392 0.2933 0.2933 0.3102 0.3102 0.6287 0.6287 0.6532 0.6532 1.3074 1.3074 1.3763 1.3763 1.3847 1.3847 1.9484 1.9484 2.1745 2.1745 2.1833 2.1833 2.2340 2.2340 2.2634 2.2634 2.3294 2.3294 4.9243 4.9243 4.9954 4.9954 5.0196 5.0196 6.9762 6.9762 6.9929 6.9929 10.0015 10.0015 10.1043 10.1043 k = 0.5000 0.2636 0.2396 ( 19914 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6694 -21.6694 -21.6694 -21.6694 -11.0935 -11.0935 -10.6321 -10.6321 -10.4400 -10.4400 -10.4395 -10.4395 -10.4228 -10.4228 -10.4183 -10.4183 -6.3780 -6.3780 -6.3726 -6.3726 -5.5381 -5.5381 -5.5267 -5.5267 -5.4870 -5.4870 -5.4864 -5.4864 -0.6143 -0.6143 -0.0824 -0.0824 0.0662 0.0662 0.1016 0.1016 0.1403 0.1403 0.2972 0.2972 0.3114 0.3114 0.6305 0.6305 0.6546 0.6546 1.2997 1.2997 1.3746 1.3746 1.3824 1.3824 1.9570 1.9570 2.1755 2.1755 2.1916 2.1916 2.2339 2.2339 2.2709 2.2709 2.3312 2.3312 4.9217 4.9217 4.9946 4.9946 5.0179 5.0179 6.9836 6.9836 6.9917 6.9917 9.9870 9.9870 10.0897 10.0897 k = 0.5000 0.2761 0.2219 ( 19924 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6694 -21.6694 -21.6694 -21.6694 -11.0939 -11.0939 -10.6324 -10.6324 -10.4381 -10.4381 -10.4378 -10.4378 -10.4244 -10.4244 -10.4193 -10.4193 -6.3783 -6.3783 -6.3728 -6.3728 -5.5386 -5.5386 -5.5270 -5.5270 -5.4870 -5.4870 -5.4864 -5.4864 -0.6173 -0.6173 -0.0765 -0.0765 0.0621 0.0621 0.0970 0.0970 0.1409 0.1409 0.2992 0.2992 0.3126 0.3126 0.6315 0.6315 0.6555 0.6555 1.2950 1.2950 1.3736 1.3736 1.3810 1.3810 1.9622 1.9622 2.1758 2.1758 2.1966 2.1966 2.2339 2.2339 2.2758 2.2758 2.3322 2.3322 4.9201 4.9201 4.9939 4.9939 5.0171 5.0171 6.9875 6.9875 6.9916 6.9916 9.9783 9.9783 10.0809 10.0809 k = 0.5000 0.2887 0.2041 ( 19896 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6694 -21.6694 -21.6694 -21.6694 -11.0940 -11.0940 -10.6325 -10.6325 -10.4375 -10.4375 -10.4370 -10.4370 -10.4250 -10.4250 -10.4197 -10.4197 -6.3784 -6.3784 -6.3728 -6.3728 -5.5388 -5.5388 -5.5272 -5.5272 -5.4870 -5.4870 -5.4865 -5.4865 -0.6183 -0.6183 -0.0743 -0.0743 0.0604 0.0604 0.0955 0.0955 0.1412 0.1412 0.2998 0.2998 0.3132 0.3132 0.6318 0.6318 0.6558 0.6558 1.2934 1.2934 1.3732 1.3732 1.3806 1.3806 1.9640 1.9640 2.1759 2.1759 2.1983 2.1983 2.2339 2.2339 2.2774 2.2774 2.3326 2.3326 4.9196 4.9196 4.9937 4.9937 5.0168 5.0168 6.9884 6.9884 6.9920 6.9920 9.9754 9.9754 10.0779 10.0779 k = 0.5000 0.2887 0.2041 ( 19896 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6694 -21.6694 -21.6694 -21.6694 -11.0940 -11.0940 -10.6325 -10.6325 -10.4375 -10.4375 -10.4370 -10.4370 -10.4250 -10.4250 -10.4197 -10.4197 -6.3784 -6.3784 -6.3728 -6.3728 -5.5388 -5.5388 -5.5272 -5.5272 -5.4870 -5.4870 -5.4865 -5.4865 -0.6183 -0.6183 -0.0743 -0.0743 0.0604 0.0604 0.0955 0.0955 0.1412 0.1412 0.2998 0.2998 0.3132 0.3132 0.6318 0.6318 0.6558 0.6558 1.2934 1.2934 1.3732 1.3732 1.3806 1.3806 1.9640 1.9640 2.1759 2.1759 2.1983 2.1983 2.2339 2.2339 2.2774 2.2774 2.3326 2.3326 4.9196 4.9196 4.9937 4.9937 5.0168 5.0168 6.9884 6.9884 6.9920 6.9920 9.9754 9.9754 10.0779 10.0779 k = 0.4938 0.2851 0.2245 ( 19923 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6694 -21.6694 -21.6694 -21.6694 -11.0939 -11.0939 -10.6324 -10.6324 -10.4381 -10.4381 -10.4378 -10.4378 -10.4244 -10.4244 -10.4193 -10.4193 -6.3783 -6.3783 -6.3728 -6.3728 -5.5386 -5.5386 -5.5270 -5.5270 -5.4870 -5.4870 -5.4864 -5.4864 -0.6173 -0.6173 -0.0765 -0.0765 0.0620 0.0620 0.0970 0.0970 0.1409 0.1409 0.2992 0.2992 0.3126 0.3126 0.6315 0.6315 0.6555 0.6555 1.2950 1.2950 1.3736 1.3736 1.3810 1.3810 1.9622 1.9622 2.1758 2.1758 2.1966 2.1966 2.2339 2.2339 2.2758 2.2758 2.3322 2.3322 4.9201 4.9201 4.9939 4.9939 5.0171 5.0171 6.9875 6.9875 6.9916 6.9916 9.9783 9.9783 10.0809 10.0809 k = 0.4875 0.2815 0.2449 ( 19916 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6694 -21.6694 -21.6694 -21.6694 -11.0935 -11.0935 -10.6321 -10.6321 -10.4400 -10.4400 -10.4394 -10.4394 -10.4228 -10.4228 -10.4183 -10.4183 -6.3780 -6.3780 -6.3726 -6.3726 -5.5381 -5.5381 -5.5267 -5.5267 -5.4870 -5.4870 -5.4864 -5.4864 -0.6144 -0.6144 -0.0824 -0.0824 0.0662 0.0662 0.1015 0.1015 0.1403 0.1403 0.2973 0.2973 0.3114 0.3114 0.6305 0.6305 0.6546 0.6546 1.2997 1.2997 1.3746 1.3746 1.3824 1.3824 1.9570 1.9570 2.1755 2.1755 2.1917 2.1917 2.2339 2.2339 2.2710 2.2710 2.3312 2.3312 4.9217 4.9217 4.9946 4.9946 5.0179 5.0179 6.9836 6.9836 6.9917 6.9917 9.9869 9.9869 10.0896 10.0896 k = 0.4813 0.2778 0.2654 ( 19912 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6694 -21.6694 -21.6694 -21.6694 -11.0929 -11.0929 -10.6317 -10.6317 -10.4429 -10.4429 -10.4416 -10.4416 -10.4210 -10.4210 -10.4168 -10.4168 -6.3776 -6.3776 -6.3723 -6.3723 -5.5373 -5.5373 -5.5261 -5.5261 -5.4871 -5.4871 -5.4862 -5.4862 -0.6095 -0.6095 -0.0911 -0.0911 0.0715 0.0715 0.1093 0.1093 0.1392 0.1392 0.2934 0.2934 0.3101 0.3101 0.6287 0.6287 0.6533 0.6533 1.3073 1.3073 1.3762 1.3762 1.3848 1.3848 1.9486 1.9486 2.1744 2.1744 2.1835 2.1835 2.2339 2.2339 2.2636 2.2636 2.3295 2.3295 4.9243 4.9243 4.9955 4.9955 5.0195 5.0195 6.9763 6.9763 6.9929 6.9929 10.0013 10.0013 10.1041 10.1041 k = 0.4750 0.2742 0.2858 ( 19917 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6694 -21.6694 -21.6694 -21.6694 -11.0921 -11.0921 -10.6311 -10.6311 -10.4463 -10.4463 -10.4440 -10.4440 -10.4194 -10.4194 -10.4149 -10.4149 -6.3771 -6.3771 -6.3720 -6.3720 -5.5361 -5.5361 -5.5252 -5.5252 -5.4872 -5.4872 -5.4861 -5.4861 -0.6028 -0.6028 -0.1015 -0.1015 0.0770 0.0770 0.1198 0.1198 0.1380 0.1380 0.2875 0.2875 0.3095 0.3095 0.6259 0.6259 0.6516 0.6516 1.3174 1.3174 1.3783 1.3783 1.3885 1.3885 1.9370 1.9370 2.1690 2.1690 2.1747 2.1747 2.2337 2.2337 2.2545 2.2545 2.3273 2.3273 4.9275 4.9275 4.9965 4.9965 5.0221 5.0221 6.9660 6.9660 6.9948 6.9948 10.0212 10.0212 10.1241 10.1241 k = 0.4688 0.2706 0.3062 ( 19916 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6694 -21.6694 -21.6694 -21.6694 -11.0910 -11.0910 -10.6304 -10.6304 -10.4500 -10.4500 -10.4467 -10.4467 -10.4180 -10.4180 -10.4128 -10.4128 -6.3764 -6.3764 -6.3715 -6.3715 -5.5347 -5.5347 -5.5242 -5.5242 -5.4872 -5.4872 -5.4860 -5.4860 -0.5944 -0.5944 -0.1129 -0.1129 0.0823 0.0823 0.1293 0.1293 0.1396 0.1396 0.2803 0.2803 0.3095 0.3095 0.6221 0.6221 0.6497 0.6497 1.3295 1.3295 1.3808 1.3808 1.3941 1.3941 1.9227 1.9227 2.1537 2.1537 2.1702 2.1702 2.2323 2.2323 2.2454 2.2454 2.3249 2.3249 4.9311 4.9311 4.9977 4.9977 5.0257 5.0257 6.9531 6.9531 6.9973 6.9973 10.0464 10.0464 10.1494 10.1494 k = 0.4625 0.2670 0.3266 ( 19922 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6694 -21.6694 -21.6694 -21.6694 -11.0897 -11.0897 -10.6295 -10.6295 -10.4540 -10.4540 -10.4495 -10.4495 -10.4171 -10.4171 -10.4105 -10.4105 -6.3756 -6.3756 -6.3709 -6.3709 -5.5330 -5.5330 -5.5229 -5.5229 -5.4873 -5.4873 -5.4858 -5.4858 -0.5843 -0.5843 -0.1244 -0.1244 0.0873 0.0873 0.1298 0.1298 0.1507 0.1507 0.2728 0.2728 0.3099 0.3099 0.6171 0.6171 0.6478 0.6478 1.3427 1.3427 1.3839 1.3839 1.4018 1.4018 1.9058 1.9058 2.1333 2.1333 2.1648 2.1648 2.2265 2.2265 2.2400 2.2400 2.3228 2.3228 4.9347 4.9347 4.9993 4.9993 5.0305 5.0305 6.9379 6.9379 7.0003 7.0003 10.0767 10.0767 10.1797 10.1797 k = 0.4562 0.2634 0.3470 ( 19930 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6694 -21.6694 -21.6693 -21.6693 -11.0882 -11.0882 -10.6285 -10.6285 -10.4581 -10.4581 -10.4523 -10.4523 -10.4166 -10.4166 -10.4081 -10.4081 -6.3747 -6.3747 -6.3703 -6.3703 -5.5311 -5.5311 -5.5215 -5.5215 -5.4874 -5.4874 -5.4857 -5.4857 -0.5729 -0.5729 -0.1358 -0.1358 0.0917 0.0917 0.1273 0.1273 0.1642 0.1642 0.2666 0.2666 0.3108 0.3108 0.6110 0.6110 0.6457 0.6457 1.3560 1.3560 1.3877 1.3877 1.4125 1.4125 1.8866 1.8866 2.1085 2.1085 2.1575 2.1575 2.2169 2.2169 2.2376 2.2376 2.3217 2.3217 4.9377 4.9377 5.0016 5.0016 5.0362 5.0362 6.9207 6.9207 7.0039 7.0039 10.1117 10.1117 10.2146 10.2146 k = 0.4500 0.2598 0.3674 ( 19916 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6694 -21.6694 -21.6693 -21.6693 -11.0866 -11.0866 -10.6274 -10.6274 -10.4623 -10.4623 -10.4551 -10.4551 -10.4164 -10.4164 -10.4056 -10.4056 -6.3737 -6.3737 -6.3696 -6.3696 -5.5289 -5.5289 -5.5200 -5.5200 -5.4875 -5.4875 -5.4855 -5.4855 -0.5602 -0.5602 -0.1467 -0.1467 0.0944 0.0944 0.1250 0.1250 0.1759 0.1759 0.2637 0.2637 0.3121 0.3121 0.6039 0.6039 0.6436 0.6436 1.3683 1.3683 1.3921 1.3921 1.4267 1.4267 1.8653 1.8653 2.0797 2.0797 2.1484 2.1484 2.2064 2.2064 2.2346 2.2346 2.3222 2.3222 4.9397 4.9397 5.0049 5.0049 5.0427 5.0427 6.9018 6.9018 7.0080 7.0080 10.1510 10.1510 10.2536 10.2537 k = 0.4437 0.2562 0.3878 ( 19926 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6694 -21.6694 -21.6693 -21.6693 -11.0849 -11.0849 -10.6261 -10.6261 -10.4664 -10.4664 -10.4579 -10.4579 -10.4166 -10.4166 -10.4032 -10.4032 -6.3727 -6.3727 -6.3689 -6.3689 -5.5266 -5.5266 -5.5183 -5.5183 -5.4876 -5.4876 -5.4852 -5.4852 -0.5467 -0.5467 -0.1569 -0.1569 0.0933 0.0933 0.1251 0.1251 0.1836 0.1836 0.2663 0.2663 0.3139 0.3139 0.5959 0.5959 0.6412 0.6412 1.3792 1.3792 1.3975 1.3975 1.4445 1.4445 1.8422 1.8422 2.0476 2.0476 2.1378 2.1378 2.1962 2.1962 2.2296 2.2296 2.3248 2.3248 4.9403 4.9403 5.0096 5.0096 5.0498 5.0498 6.8816 6.8816 7.0127 7.0127 10.1940 10.1940 10.2964 10.2964 k = 0.4375 0.2526 0.4082 ( 19946 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6694 -21.6694 -21.6693 -21.6693 -11.0831 -11.0831 -10.6247 -10.6247 -10.4706 -10.4706 -10.4607 -10.4607 -10.4172 -10.4172 -10.4008 -10.4008 -6.3716 -6.3716 -6.3681 -6.3681 -5.5242 -5.5242 -5.5166 -5.5166 -5.4877 -5.4877 -5.4850 -5.4850 -0.5326 -0.5326 -0.1659 -0.1659 0.0871 0.0871 0.1286 0.1286 0.1868 0.1868 0.2750 0.2750 0.3164 0.3164 0.5871 0.5871 0.6385 0.6385 1.3888 1.3888 1.4039 1.4039 1.4652 1.4652 1.8176 1.8176 2.0126 2.0126 2.1259 2.1259 2.1862 2.1862 2.2223 2.2223 2.3296 2.3296 4.9395 4.9395 5.0156 5.0156 5.0573 5.0573 6.8605 6.8605 7.0178 7.0178 10.2400 10.2400 10.3422 10.3422 k = 0.4313 0.2490 0.4287 ( 19937 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6694 -21.6694 -21.6693 -21.6693 -11.0812 -11.0812 -10.6233 -10.6233 -10.4745 -10.4745 -10.4634 -10.4634 -10.4181 -10.4181 -10.3985 -10.3985 -6.3704 -6.3704 -6.3673 -6.3673 -5.5217 -5.5217 -5.5148 -5.5148 -5.4878 -5.4878 -5.4847 -5.4847 -0.5183 -0.5183 -0.1737 -0.1737 0.0769 0.0769 0.1344 0.1344 0.1872 0.1872 0.2878 0.2878 0.3201 0.3201 0.5779 0.5779 0.6354 0.6354 1.3976 1.3976 1.4113 1.4113 1.4879 1.4879 1.7918 1.7918 1.9756 1.9756 2.1128 2.1128 2.1766 2.1766 2.2129 2.2129 2.3362 2.3362 4.9374 4.9374 5.0226 5.0226 5.0651 5.0651 6.8388 6.8388 7.0234 7.0234 10.2880 10.2880 10.3907 10.3907 k = 0.4250 0.2454 0.4491 ( 19917 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6695 -21.6695 -21.6692 -21.6692 -11.0793 -11.0793 -10.6217 -10.6217 -10.4783 -10.4783 -10.4661 -10.4661 -10.4193 -10.4193 -10.3963 -10.3963 -6.3693 -6.3693 -6.3664 -6.3664 -5.5192 -5.5192 -5.5131 -5.5131 -5.4879 -5.4879 -5.4844 -5.4844 -0.5043 -0.5043 -0.1800 -0.1800 0.0639 0.0639 0.1415 0.1415 0.1869 0.1869 0.3014 0.3014 0.3262 0.3262 0.5683 0.5683 0.6318 0.6318 1.4061 1.4061 1.4195 1.4195 1.5117 1.5117 1.7652 1.7652 1.9373 1.9373 2.0990 2.0990 2.1673 2.1673 2.2020 2.2020 2.3443 2.3443 4.9341 4.9341 5.0304 5.0304 5.0730 5.0730 6.8168 6.8168 7.0294 7.0294 10.3367 10.3367 10.4414 10.4414 k = 0.4188 0.2418 0.4695 ( 19910 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6695 -21.6695 -21.6692 -21.6692 -11.0774 -11.0774 -10.6201 -10.6201 -10.4818 -10.4818 -10.4686 -10.4686 -10.4208 -10.4208 -10.3941 -10.3941 -6.3682 -6.3682 -6.3656 -6.3656 -5.5167 -5.5167 -5.5113 -5.5113 -5.4881 -5.4881 -5.4841 -5.4841 -0.4910 -0.4910 -0.1845 -0.1845 0.0489 0.0489 0.1493 0.1493 0.1872 0.1872 0.3120 0.3120 0.3369 0.3369 0.5587 0.5587 0.6276 0.6276 1.4147 1.4147 1.4284 1.4284 1.5357 1.5357 1.7381 1.7381 1.8989 1.8989 2.0845 2.0845 2.1580 2.1580 2.1902 2.1902 2.3534 2.3534 4.9300 4.9300 5.0386 5.0386 5.0809 5.0809 6.7949 6.7949 7.0358 7.0358 10.3847 10.3847 10.4938 10.4938 k = 0.4125 0.2382 0.4899 ( 19926 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6695 -21.6695 -21.6692 -21.6692 -11.0756 -11.0756 -10.6184 -10.6184 -10.4850 -10.4850 -10.4711 -10.4711 -10.4225 -10.4225 -10.3920 -10.3920 -6.3673 -6.3673 -6.3647 -6.3647 -5.5144 -5.5144 -5.5097 -5.5097 -5.4882 -5.4882 -5.4836 -5.4836 -0.4791 -0.4791 -0.1870 -0.1870 0.0327 0.0327 0.1573 0.1573 0.1887 0.1887 0.3189 0.3189 0.3518 0.3518 0.5495 0.5495 0.6229 0.6229 1.4235 1.4235 1.4377 1.4377 1.5586 1.5586 1.7110 1.7110 1.8615 1.8615 2.0697 2.0697 2.1483 2.1483 2.1783 2.1783 2.3634 2.3634 4.9252 4.9252 5.0470 5.0470 5.0885 5.0885 6.7734 6.7734 7.0426 7.0426 10.4299 10.4299 10.5477 10.5477 k = 0.4062 0.2345 0.5103 ( 19924 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6695 -21.6695 -21.6691 -21.6691 -11.0740 -11.0740 -10.6166 -10.6166 -10.4877 -10.4877 -10.4735 -10.4735 -10.4246 -10.4246 -10.3900 -10.3900 -6.3664 -6.3664 -6.3639 -6.3639 -5.5123 -5.5123 -5.5082 -5.5082 -5.4883 -5.4883 -5.4832 -5.4832 -0.4690 -0.4690 -0.1874 -0.1874 0.0158 0.0158 0.1654 0.1654 0.1917 0.1917 0.3244 0.3244 0.3678 0.3678 0.5411 0.5411 0.6175 0.6175 1.4325 1.4325 1.4474 1.4474 1.5785 1.5785 1.6845 1.6845 1.8273 1.8273 2.0548 2.0548 2.1378 2.1378 2.1670 2.1670 2.3739 2.3739 4.9198 4.9198 5.0552 5.0552 5.0958 5.0958 6.7526 6.7526 7.0497 7.0497 10.4703 10.4703 10.6026 10.6026 k = 0.4000 0.2309 0.5307 ( 19937 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6696 -21.6696 -21.6691 -21.6691 -11.0725 -11.0725 -10.6148 -10.6148 -10.4900 -10.4900 -10.4757 -10.4757 -10.4268 -10.4268 -10.3881 -10.3881 -6.3657 -6.3657 -6.3630 -6.3630 -5.5105 -5.5105 -5.5067 -5.5067 -5.4883 -5.4883 -5.4827 -5.4827 -0.4611 -0.4611 -0.1857 -0.1857 -0.0013 -0.0013 0.1735 0.1735 0.1964 0.1964 0.3295 0.3295 0.3827 0.3827 0.5342 0.5342 0.6115 0.6115 1.4417 1.4417 1.4572 1.4572 1.5922 1.5922 1.6597 1.6597 1.7996 1.7996 2.0401 2.0401 2.1260 2.1260 2.1573 2.1573 2.3847 2.3847 4.9141 4.9141 5.0631 5.0631 5.1027 5.1027 6.7327 6.7327 7.0571 7.0571 10.5039 10.5039 10.6581 10.6581 k = 0.3937 0.2273 0.5511 ( 19939 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6696 -21.6696 -21.6690 -21.6690 -11.0712 -11.0712 -10.6128 -10.6128 -10.4919 -10.4919 -10.4779 -10.4779 -10.4293 -10.4293 -10.3863 -10.3863 -6.3651 -6.3651 -6.3622 -6.3622 -5.5091 -5.5091 -5.5054 -5.5054 -5.4883 -5.4883 -5.4821 -5.4821 -0.4557 -0.4557 -0.1820 -0.1820 -0.0182 -0.0182 0.1816 0.1816 0.2026 0.2026 0.3348 0.3348 0.3951 0.3951 0.5297 0.5297 0.6049 0.6049 1.4507 1.4507 1.4667 1.4667 1.5947 1.5947 1.6382 1.6382 1.7828 1.7828 2.0260 2.0260 2.1129 2.1129 2.1493 2.1493 2.3958 2.3958 4.9082 4.9082 5.0705 5.0705 5.1091 5.1091 6.7141 6.7141 7.0647 7.0647 10.5289 10.5289 10.7128 10.7128 k = 0.3875 0.2237 0.5715 ( 19938 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6697 -21.6697 -21.6690 -21.6690 -11.0702 -11.0702 -10.6108 -10.6108 -10.4931 -10.4931 -10.4799 -10.4799 -10.4320 -10.4320 -10.3845 -10.3845 -6.3648 -6.3648 -6.3614 -6.3614 -5.5083 -5.5083 -5.5040 -5.5040 -5.4883 -5.4883 -5.4815 -5.4815 -0.4528 -0.4528 -0.1768 -0.1768 -0.0346 -0.0346 0.1895 0.1895 0.2104 0.2104 0.3401 0.3401 0.4037 0.4037 0.5284 0.5284 0.5977 0.5977 1.4588 1.4588 1.4752 1.4752 1.5843 1.5843 1.6204 1.6204 1.7802 1.7802 2.0126 2.0126 2.0991 2.0991 2.1429 2.1429 2.4070 2.4070 4.9020 4.9020 5.0774 5.0774 5.1148 5.1148 6.6969 6.6969 7.0726 7.0726 10.5442 10.5442 10.7655 10.7655 k = 0.3812 0.2201 0.5920 ( 19929 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6697 -21.6697 -21.6689 -21.6689 -11.0695 -11.0695 -10.6086 -10.6086 -10.4939 -10.4939 -10.4817 -10.4817 -10.4348 -10.4348 -10.3829 -10.3829 -6.3647 -6.3647 -6.3606 -6.3606 -5.5081 -5.5081 -5.5028 -5.5028 -5.4882 -5.4882 -5.4808 -5.4808 -0.4523 -0.4523 -0.1704 -0.1704 -0.0503 -0.0503 0.1972 0.1972 0.2198 0.2198 0.3456 0.3456 0.4076 0.4076 0.5308 0.5308 0.5899 0.5899 1.4651 1.4651 1.4815 1.4815 1.5672 1.5672 1.6045 1.6045 1.7902 1.7902 2.0004 2.0004 2.0851 2.0851 2.1379 2.1379 2.4182 2.4182 4.8957 4.8957 5.0835 5.0835 5.1198 5.1198 6.6813 6.6813 7.0806 7.0806 10.5489 10.5489 10.8139 10.8139 k = 0.3750 0.2165 0.6124 ( 19953 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6698 -21.6698 -21.6688 -21.6688 -11.0692 -11.0692 -10.6062 -10.6062 -10.4941 -10.4941 -10.4834 -10.4834 -10.4378 -10.4378 -10.3813 -10.3813 -6.3647 -6.3647 -6.3600 -6.3600 -5.5083 -5.5083 -5.5018 -5.5018 -5.4882 -5.4882 -5.4801 -5.4801 -0.4541 -0.4541 -0.1635 -0.1635 -0.0650 -0.0650 0.2045 0.2045 0.2307 0.2307 0.3510 0.3510 0.4073 0.4073 0.5365 0.5365 0.5819 0.5819 1.4677 1.4677 1.4834 1.4834 1.5513 1.5513 1.5923 1.5923 1.8079 1.8079 1.9896 1.9896 2.0715 2.0715 2.1340 2.1340 2.4294 2.4294 4.8894 4.8894 5.0888 5.0888 5.1241 5.1241 6.6676 6.6676 7.0887 7.0887 10.5427 10.5427 10.8553 10.8553 k = 0.6250-0.0722 0.4082 ( 19953 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6698 -21.6698 -21.6688 -21.6688 -11.0692 -11.0692 -10.6062 -10.6062 -10.4941 -10.4941 -10.4834 -10.4834 -10.4378 -10.4378 -10.3813 -10.3813 -6.3647 -6.3647 -6.3600 -6.3600 -5.5083 -5.5083 -5.5018 -5.5018 -5.4882 -5.4882 -5.4801 -5.4801 -0.4541 -0.4541 -0.1635 -0.1635 -0.0650 -0.0650 0.2045 0.2045 0.2307 0.2307 0.3510 0.3510 0.4073 0.4073 0.5365 0.5365 0.5819 0.5819 1.4677 1.4677 1.4834 1.4834 1.5513 1.5513 1.5923 1.5923 1.8079 1.8079 1.9896 1.9896 2.0715 2.0715 2.1340 2.1340 2.4294 2.4294 4.8894 4.8894 5.0888 5.0888 5.1241 5.1241 6.6676 6.6676 7.0887 7.0887 10.5427 10.5427 10.8553 10.8553 k = 0.6146-0.0902 0.4082 ( 19917 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6699 -21.6699 -21.6687 -21.6687 -11.0691 -11.0691 -10.6017 -10.6017 -10.4941 -10.4941 -10.4860 -10.4860 -10.4429 -10.4429 -10.3789 -10.3789 -6.3650 -6.3650 -6.3590 -6.3590 -5.5091 -5.5091 -5.5003 -5.5003 -5.4882 -5.4882 -5.4790 -5.4790 -0.4596 -0.4596 -0.1514 -0.1514 -0.0874 -0.0874 0.2162 0.2162 0.2504 0.2504 0.3597 0.3597 0.4034 0.4034 0.5462 0.5462 0.5694 0.5694 1.4665 1.4665 1.4810 1.4810 1.5301 1.5301 1.5781 1.5781 1.8418 1.8418 1.9735 1.9735 2.0498 2.0498 2.1287 2.1287 2.4476 2.4476 4.8788 4.8788 5.0968 5.0968 5.1304 5.1304 6.6469 6.6469 7.1023 7.1023 10.5220 10.5220 10.9045 10.9045 k = 0.6042-0.1083 0.4082 ( 19923 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6700 -21.6700 -21.6686 -21.6686 -11.0693 -11.0693 -10.5967 -10.5967 -10.4942 -10.4942 -10.4882 -10.4882 -10.4484 -10.4484 -10.3766 -10.3766 -6.3653 -6.3653 -6.3581 -6.3581 -5.5100 -5.5100 -5.4991 -5.4991 -5.4881 -5.4881 -5.4780 -5.4780 -0.4662 -0.4662 -0.1399 -0.1399 -0.1068 -0.1068 0.2283 0.2283 0.2703 0.2703 0.3678 0.3678 0.3993 0.3993 0.5446 0.5446 0.5671 0.5671 1.4607 1.4607 1.4792 1.4792 1.5133 1.5133 1.5660 1.5660 1.8757 1.8757 1.9581 1.9581 2.0288 2.0288 2.1240 2.1240 2.4651 2.4651 4.8682 4.8682 5.1042 5.1042 5.1363 5.1363 6.6273 6.6273 7.1157 7.1157 10.4995 10.4995 10.9220 10.9220 k = 0.5938-0.1263 0.4082 ( 19935 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6701 -21.6701 -21.6685 -21.6685 -11.0696 -11.0696 -10.5911 -10.5911 -10.4946 -10.4946 -10.4899 -10.4899 -10.4541 -10.4541 -10.3745 -10.3745 -6.3656 -6.3656 -6.3574 -6.3574 -5.5109 -5.5109 -5.4983 -5.4983 -5.4881 -5.4881 -5.4769 -5.4769 -0.4737 -0.4737 -0.1368 -0.1368 -0.1157 -0.1157 0.2407 0.2407 0.2899 0.2899 0.3753 0.3753 0.3952 0.3952 0.5314 0.5314 0.5752 0.5752 1.4470 1.4470 1.4795 1.4795 1.5032 1.5032 1.5557 1.5557 1.9084 1.9084 1.9436 1.9436 2.0089 2.0089 2.1201 2.1201 2.4816 2.4816 4.8579 4.8579 5.1110 5.1110 5.1419 5.1419 6.6089 6.6089 7.1287 7.1287 10.4757 10.4757 10.9166 10.9166 k = 0.5833-0.1443 0.4082 ( 19937 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6702 -21.6702 -21.6685 -21.6685 -11.0701 -11.0701 -10.5851 -10.5851 -10.4954 -10.4954 -10.4909 -10.4909 -10.4600 -10.4600 -10.3726 -10.3726 -6.3660 -6.3660 -6.3568 -6.3568 -5.5119 -5.5119 -5.4976 -5.4976 -5.4880 -5.4880 -5.4758 -5.4758 -0.4814 -0.4814 -0.1491 -0.1491 -0.1073 -0.1073 0.2535 0.2535 0.3087 0.3087 0.3816 0.3816 0.3918 0.3918 0.5159 0.5159 0.5845 0.5845 1.4283 1.4283 1.4811 1.4811 1.4981 1.4981 1.5472 1.5472 1.9298 1.9298 1.9390 1.9390 1.9904 1.9904 2.1172 2.1172 2.4969 2.4969 4.8479 4.8479 5.1171 5.1171 5.1470 5.1470 6.5919 6.5919 7.1412 7.1412 10.4518 10.4518 10.9023 10.9023 k = 0.5729-0.1624 0.4082 ( 19937 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6702 -21.6702 -21.6684 -21.6684 -11.0706 -11.0706 -10.5788 -10.5788 -10.4966 -10.4966 -10.4913 -10.4913 -10.4661 -10.4661 -10.3709 -10.3709 -6.3663 -6.3663 -6.3563 -6.3563 -5.5128 -5.5128 -5.4972 -5.4972 -5.4879 -5.4879 -5.4748 -5.4748 -0.4891 -0.4891 -0.1631 -0.1631 -0.0958 -0.0958 0.2667 0.2667 0.3263 0.3263 0.3836 0.3836 0.3924 0.3924 0.4998 0.4998 0.5931 0.5931 1.4083 1.4083 1.4832 1.4832 1.4954 1.4954 1.5405 1.5405 1.9169 1.9169 1.9655 1.9655 1.9746 1.9746 2.1155 2.1155 2.5108 2.5108 4.8385 4.8385 5.1225 5.1225 5.1517 5.1517 6.5765 6.5765 7.1528 7.1528 10.4283 10.4283 10.8854 10.8854 k = 0.5625-0.1804 0.4082 ( 19942 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6703 -21.6703 -21.6683 -21.6683 -11.0711 -11.0711 -10.5722 -10.5722 -10.4980 -10.4980 -10.4914 -10.4914 -10.4723 -10.4723 -10.3695 -10.3695 -6.3666 -6.3666 -6.3558 -6.3558 -5.5136 -5.5136 -5.4969 -5.4969 -5.4878 -5.4878 -5.4739 -5.4739 -0.4964 -0.4964 -0.1756 -0.1756 -0.0846 -0.0846 0.2802 0.2802 0.3421 0.3421 0.3810 0.3810 0.3975 0.3975 0.4836 0.4836 0.6008 0.6008 1.3890 1.3890 1.4849 1.4849 1.4942 1.4942 1.5355 1.5355 1.9051 1.9051 1.9576 1.9576 1.9913 1.9913 2.1151 2.1151 2.5232 2.5232 4.8298 4.8298 5.1272 5.1272 5.1559 5.1559 6.5629 6.5629 7.1634 7.1634 10.4063 10.4063 10.8686 10.8686 k = 0.5521-0.1985 0.4082 ( 19940 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6703 -21.6703 -21.6683 -21.6683 -11.0717 -11.0717 -10.5655 -10.5655 -10.4992 -10.4992 -10.4915 -10.4915 -10.4785 -10.4785 -10.3682 -10.3682 -6.3668 -6.3668 -6.3555 -6.3555 -5.5144 -5.5144 -5.4967 -5.4967 -5.4878 -5.4878 -5.4731 -5.4731 -0.5031 -0.5031 -0.1862 -0.1862 -0.0744 -0.0744 0.2938 0.2938 0.3554 0.3554 0.3783 0.3783 0.4029 0.4029 0.4677 0.4677 0.6074 0.6074 1.3715 1.3715 1.4853 1.4853 1.4945 1.4945 1.5321 1.5321 1.8943 1.8943 1.9447 1.9447 2.0108 2.0108 2.1164 2.1164 2.5339 2.5339 4.8221 4.8221 5.1311 5.1311 5.1595 5.1595 6.5511 6.5511 7.1727 7.1727 10.3864 10.3864 10.8532 10.8532 k = 0.5417-0.2165 0.4082 ( 19958 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6704 -21.6704 -21.6682 -21.6682 -11.0722 -11.0722 -10.5590 -10.5590 -10.5003 -10.5003 -10.4916 -10.4916 -10.4845 -10.4845 -10.3671 -10.3671 -6.3670 -6.3670 -6.3552 -6.3552 -5.5150 -5.5150 -5.4966 -5.4966 -5.4877 -5.4877 -5.4724 -5.4724 -0.5088 -0.5088 -0.1948 -0.1948 -0.0657 -0.0657 0.3073 0.3073 0.3649 0.3649 0.3774 0.3774 0.4077 0.4077 0.4525 0.4525 0.6128 0.6128 1.3565 1.3565 1.4844 1.4844 1.4960 1.4960 1.5301 1.5301 1.8849 1.8849 1.9340 1.9340 2.0256 2.0256 2.1192 2.1192 2.5429 2.5429 4.8155 4.8155 5.1344 5.1344 5.1626 5.1626 6.5412 6.5412 7.1806 7.1806 10.3693 10.3693 10.8398 10.8398 k = 0.5312-0.2345 0.4082 ( 19950 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6704 -21.6704 -21.6682 -21.6682 -11.0726 -11.0726 -10.5527 -10.5527 -10.5012 -10.5012 -10.4927 -10.4927 -10.4893 -10.4893 -10.3663 -10.3663 -6.3672 -6.3672 -6.3550 -6.3550 -5.5155 -5.5155 -5.4966 -5.4966 -5.4877 -5.4877 -5.4718 -5.4718 -0.5136 -0.5136 -0.2015 -0.2015 -0.0586 -0.0586 0.3202 0.3202 0.3689 0.3689 0.3803 0.3803 0.4102 0.4102 0.4394 0.4394 0.6170 0.6170 1.3442 1.3442 1.4831 1.4831 1.4976 1.4976 1.5292 1.5292 1.8771 1.8771 1.9256 1.9256 2.0359 2.0359 2.1231 2.1231 2.5499 2.5499 4.8102 4.8102 5.1369 5.1369 5.1651 5.1651 6.5335 6.5335 7.1869 7.1869 10.3554 10.3554 10.8290 10.8290 k = 0.5208-0.2526 0.4082 ( 19958 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6704 -21.6704 -21.6682 -21.6682 -11.0729 -11.0729 -10.5472 -10.5472 -10.5021 -10.5021 -10.4963 -10.4963 -10.4905 -10.4905 -10.3657 -10.3657 -6.3674 -6.3674 -6.3549 -6.3549 -5.5159 -5.5159 -5.4965 -5.4965 -5.4876 -5.4876 -5.4714 -5.4714 -0.5170 -0.5170 -0.2063 -0.2063 -0.0533 -0.0533 0.3315 0.3315 0.3710 0.3710 0.3846 0.3846 0.4068 0.4068 0.4320 0.4320 0.6200 0.6200 1.3352 1.3352 1.4818 1.4818 1.4990 1.4990 1.5290 1.5290 1.8712 1.8712 1.9196 1.9196 2.0422 2.0422 2.1270 2.1270 2.5550 2.5550 4.8063 4.8063 5.1387 5.1387 5.1668 5.1668 6.5279 6.5279 7.1915 7.1915 10.3452 10.3452 10.8210 10.8210 k = 0.5104-0.2706 0.4082 ( 19938 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6705 -21.6705 -21.6682 -21.6682 -11.0731 -11.0731 -10.5432 -10.5432 -10.5031 -10.5031 -10.4994 -10.4994 -10.4907 -10.4907 -10.3654 -10.3654 -6.3674 -6.3674 -6.3548 -6.3548 -5.5162 -5.5162 -5.4965 -5.4965 -5.4876 -5.4876 -5.4711 -5.4711 -0.5192 -0.5192 -0.2091 -0.2091 -0.0501 -0.0501 0.3393 0.3393 0.3756 0.3756 0.3874 0.3874 0.3971 0.3971 0.4307 0.4307 0.6218 0.6218 1.3297 1.3297 1.4810 1.4810 1.4998 1.4998 1.5290 1.5290 1.8675 1.8675 1.9160 1.9160 2.0456 2.0456 2.1299 2.1299 2.5581 2.5581 4.8039 4.8039 5.1397 5.1397 5.1679 5.1679 6.5245 6.5245 7.1943 7.1943 10.3390 10.3390 10.8162 10.8162 k = 0.5000-0.2887 0.4082 ( 19902 PWs) bands (ev): -54.3445 -54.3445 -30.9786 -30.9786 -30.3208 -30.3208 -30.3208 -30.3208 -21.6705 -21.6705 -21.6682 -21.6682 -11.0731 -11.0731 -10.5416 -10.5416 -10.5037 -10.5037 -10.5003 -10.5003 -10.4907 -10.4907 -10.3653 -10.3653 -6.3675 -6.3675 -6.3548 -6.3548 -5.5162 -5.5162 -5.4965 -5.4965 -5.4876 -5.4876 -5.4711 -5.4711 -0.5199 -0.5199 -0.2100 -0.2100 -0.0490 -0.0490 0.3420 0.3420 0.3814 0.3814 0.3884 0.3884 0.3890 0.3890 0.4308 0.4308 0.6224 0.6224 1.3279 1.3279 1.4807 1.4807 1.5001 1.5001 1.5291 1.5291 1.8662 1.8662 1.9148 1.9148 2.0467 2.0467 2.1309 2.1309 2.5591 2.5591 4.8031 4.8031 5.1401 5.1401 5.1683 5.1683 6.5233 6.5233 7.1953 7.1953 10.3369 10.3369 10.8146 10.8146 Writing output data file Rb2TiCl6.save init_run : 0.45s CPU 0.58s WALL ( 1 calls) electrons : 787.15s CPU 792.77s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.04s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 787.14s CPU 792.76s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.12s CPU 0.15s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.10s CPU 0.20s WALL ( 219 calls) cegterg : 731.83s CPU 736.38s WALL ( 444 calls) Called by sum_band: Called by *egterg: h_psi : 506.61s CPU 511.12s WALL ( 7483 calls) s_psi : 21.51s CPU 21.44s WALL ( 7483 calls) g_psi : 0.71s CPU 0.71s WALL ( 6820 calls) cdiaghg : 165.80s CPU 166.19s WALL ( 7039 calls) cegterg:over : 30.33s CPU 30.24s WALL ( 6820 calls) cegterg:upda : 24.31s CPU 24.29s WALL ( 6820 calls) cegterg:last : 14.85s CPU 14.93s WALL ( 1062 calls) cdiaghg:chol : 6.48s CPU 6.59s WALL ( 7039 calls) cdiaghg:inve : 4.66s CPU 4.72s WALL ( 7039 calls) cdiaghg:para : 10.87s CPU 10.73s WALL ( 14078 calls) Called by h_psi: h_psi:vloc : 456.32s CPU 460.35s WALL ( 7483 calls) h_psi:vnl : 49.52s CPU 49.93s WALL ( 7483 calls) add_vuspsi : 25.36s CPU 25.56s WALL ( 7483 calls) General routines calbec : 24.14s CPU 24.35s WALL ( 7483 calls) fft : 0.01s CPU 0.01s WALL ( 15 calls) fftw : 441.24s CPU 445.41s WALL ( 1010232 calls) davcio : 0.20s CPU 0.58s WALL ( 438 calls) Parallel routines fft_scatter : 229.43s CPU 231.35s WALL ( 1010247 calls) PWSCF : 14m27.73s CPU 14m49.78s WALL This run was terminated on: 9:56:42 31Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=