Program PWSCF v.5.3.0 (svn rev. 11974) starts on 31Jan2017 at 4:23:14 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: ./Rb2WBr6.save/ file Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S renormalized 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 70 42 11 3299 1524 219 Max 71 43 12 3304 1555 223 Sum 5065 3037 847 237665 110371 15905 bravais-lattice index = 14 lattice parameter (alat) = 14.0158 a.u. unit-cell volume = 1946.8782 (a.u.)^3 number of atoms/cell = 9 number of atomic types = 3 number of electrons = 74.00 number of Kohn-Sham states= 88 kinetic-energy cutoff = 56.0000 Ry charge density cutoff = 374.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 14.015801 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 W read from file: /users/gautes/Pseudo/W.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 434a31466ac5fb6822520d5f43d3a35f Pseudo is Ultrasoft + core correction, Zval = 14.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1273 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 Br read from file: /users/gautes/Pseudo/Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5d639767687de88634f0d235e6526498 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 1213 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Rb read from file: /users/gautes/Pseudo/Rb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 948b8f0a9070089a35782939cf30e963 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1219 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential W 14.00 183.84000 W( 1.00) Br 7.00 79.90400 Br( 1.00) Rb 9.00 85.46780 Rb( 1.00) 12 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) ( 1 -1 0 ) ( 1 0 -1 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 4) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( -1 1 0 ) ( 0 1 0 ) ( 0 1 -1 ) cart. s( 6) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inversion cryst. s( 7) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 7) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 1 -1 0 ) ( 1 0 0 ) ( 1 0 -1 ) cart. s( 9) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 0 1 0 ) ( -1 1 0 ) ( 0 1 -1 ) cart. s(10) = ( 0.5000000 -0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_3d (-3m) there are 12 classes and 6 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -2.00 2.00 -1.00 1.00 0.00 0.00 G_5- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 G_6- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5+ 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_6+ 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5- 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_6- 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 5 -6 180 deg rotation - cart. axis [1,0,0] 3C2' 6 -5 -2 180 deg rotation - cryst. axis [1,1,0] i 7 inversion -i -7 inversion E 2S6 9 10 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -9 -10 inv. 120 deg rotation - cryst. axis [0,0,1] E 3s_v 8 11 -12 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 12 -11 -8 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 206 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0048544 k( 2) = ( 0.0166667 -0.0096225 0.0136083), wk = 0.0048544 k( 3) = ( 0.0333333 -0.0192450 0.0272165), wk = 0.0048544 k( 4) = ( 0.0500000 -0.0288675 0.0408248), wk = 0.0048544 k( 5) = ( 0.0666667 -0.0384900 0.0544331), wk = 0.0048544 k( 6) = ( 0.0833333 -0.0481125 0.0680414), wk = 0.0048544 k( 7) = ( 0.1000000 -0.0577350 0.0816497), wk = 0.0048544 k( 8) = ( 0.1166667 -0.0673575 0.0952579), wk = 0.0048544 k( 9) = ( 0.1333333 -0.0769800 0.1088662), wk = 0.0048544 k( 10) = ( 0.1500000 -0.0866025 0.1224745), wk = 0.0048544 k( 11) = ( 0.1666667 -0.0962250 0.1360828), wk = 0.0048544 k( 12) = ( 0.1833333 -0.1058475 0.1496910), wk = 0.0048544 k( 13) = ( 0.2000000 -0.1154701 0.1632993), wk = 0.0048544 k( 14) = ( 0.2166667 -0.1250926 0.1769076), wk = 0.0048544 k( 15) = ( 0.2333333 -0.1347151 0.1905159), wk = 0.0048544 k( 16) = ( 0.2500000 -0.1443376 0.2041241), wk = 0.0048544 k( 17) = ( 0.2666667 -0.1539601 0.2177324), wk = 0.0048544 k( 18) = ( 0.2833333 -0.1635826 0.2313407), wk = 0.0048544 k( 19) = ( 0.3000000 -0.1732051 0.2449490), wk = 0.0048544 k( 20) = ( 0.3166667 -0.1828276 0.2585573), wk = 0.0048544 k( 21) = ( 0.3333333 -0.1924501 0.2721655), wk = 0.0048544 k( 22) = ( 0.3500000 -0.2020726 0.2857738), wk = 0.0048544 k( 23) = ( 0.3666667 -0.2116951 0.2993821), wk = 0.0048544 k( 24) = ( 0.3833333 -0.2213176 0.3129904), wk = 0.0048544 k( 25) = ( 0.4000000 -0.2309401 0.3265986), wk = 0.0048544 k( 26) = ( 0.4166667 -0.2405626 0.3402069), wk = 0.0048544 k( 27) = ( 0.4333333 -0.2501851 0.3538152), wk = 0.0048544 k( 28) = ( 0.4500000 -0.2598076 0.3674235), wk = 0.0048544 k( 29) = ( 0.4666667 -0.2694301 0.3810317), wk = 0.0048544 k( 30) = ( 0.4833333 -0.2790526 0.3946400), wk = 0.0048544 k( 31) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0048544 k( 32) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0048544 k( 33) = ( 0.5000000 -0.2694301 0.4218566), wk = 0.0048544 k( 34) = ( 0.5000000 -0.2501851 0.4354648), wk = 0.0048544 k( 35) = ( 0.5000000 -0.2309401 0.4490731), wk = 0.0048544 k( 36) = ( 0.5000000 -0.2116951 0.4626814), wk = 0.0048544 k( 37) = ( 0.5000000 -0.1924501 0.4762897), wk = 0.0048544 k( 38) = ( 0.5000000 -0.1732051 0.4898979), wk = 0.0048544 k( 39) = ( 0.5000000 -0.1539601 0.5035062), wk = 0.0048544 k( 40) = ( 0.5000000 -0.1347151 0.5171145), wk = 0.0048544 k( 41) = ( 0.5000000 -0.1154701 0.5307228), wk = 0.0048544 k( 42) = ( 0.5000000 -0.0962250 0.5443311), wk = 0.0048544 k( 43) = ( 0.5000000 -0.0769800 0.5579393), wk = 0.0048544 k( 44) = ( 0.5000000 -0.0577350 0.5715476), wk = 0.0048544 k( 45) = ( 0.5000000 -0.0384900 0.5851559), wk = 0.0048544 k( 46) = ( 0.5000000 -0.0192450 0.5987642), wk = 0.0048544 k( 47) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0048544 k( 48) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0048544 k( 49) = ( 0.4886364 0.0196824 0.6123724), wk = 0.0048544 k( 50) = ( 0.4772727 0.0393648 0.6123724), wk = 0.0048544 k( 51) = ( 0.4659091 0.0590472 0.6123724), wk = 0.0048544 k( 52) = ( 0.4545455 0.0787296 0.6123724), wk = 0.0048544 k( 53) = ( 0.4431818 0.0984120 0.6123724), wk = 0.0048544 k( 54) = ( 0.4318182 0.1180944 0.6123724), wk = 0.0048544 k( 55) = ( 0.4204545 0.1377768 0.6123724), wk = 0.0048544 k( 56) = ( 0.4090909 0.1574592 0.6123724), wk = 0.0048544 k( 57) = ( 0.3977273 0.1771416 0.6123724), wk = 0.0048544 k( 58) = ( 0.3863636 0.1968239 0.6123724), wk = 0.0048544 k( 59) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0048544 k( 60) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0048544 k( 61) = ( 0.3632812 0.2097405 0.5932358), wk = 0.0048544 k( 62) = ( 0.3515625 0.2029747 0.5740992), wk = 0.0048544 k( 63) = ( 0.3398438 0.1962089 0.5549625), wk = 0.0048544 k( 64) = ( 0.3281250 0.1894431 0.5358259), wk = 0.0048544 k( 65) = ( 0.3164062 0.1826772 0.5166892), wk = 0.0048544 k( 66) = ( 0.3046875 0.1759114 0.4975526), wk = 0.0048544 k( 67) = ( 0.2929688 0.1691456 0.4784160), wk = 0.0048544 k( 68) = ( 0.2812500 0.1623798 0.4592793), wk = 0.0048544 k( 69) = ( 0.2695312 0.1556139 0.4401427), wk = 0.0048544 k( 70) = ( 0.2578125 0.1488481 0.4210060), wk = 0.0048544 k( 71) = ( 0.2460938 0.1420823 0.4018694), wk = 0.0048544 k( 72) = ( 0.2343750 0.1353165 0.3827328), wk = 0.0048544 k( 73) = ( 0.2226562 0.1285506 0.3635961), wk = 0.0048544 k( 74) = ( 0.2109375 0.1217848 0.3444595), wk = 0.0048544 k( 75) = ( 0.1992188 0.1150190 0.3253229), wk = 0.0048544 k( 76) = ( 0.1875000 0.1082532 0.3061862), wk = 0.0048544 k( 77) = ( 0.1757812 0.1014874 0.2870496), wk = 0.0048544 k( 78) = ( 0.1640625 0.0947215 0.2679129), wk = 0.0048544 k( 79) = ( 0.1523438 0.0879557 0.2487763), wk = 0.0048544 k( 80) = ( 0.1406250 0.0811899 0.2296397), wk = 0.0048544 k( 81) = ( 0.1289062 0.0744241 0.2105030), wk = 0.0048544 k( 82) = ( 0.1171875 0.0676582 0.1913664), wk = 0.0048544 k( 83) = ( 0.1054688 0.0608924 0.1722297), wk = 0.0048544 k( 84) = ( 0.0937500 0.0541266 0.1530931), wk = 0.0048544 k( 85) = ( 0.0820312 0.0473608 0.1339565), wk = 0.0048544 k( 86) = ( 0.0703125 0.0405949 0.1148198), wk = 0.0048544 k( 87) = ( 0.0585938 0.0338291 0.0956832), wk = 0.0048544 k( 88) = ( 0.0468750 0.0270633 0.0765466), wk = 0.0048544 k( 89) = ( 0.0351562 0.0202975 0.0574099), wk = 0.0048544 k( 90) = ( 0.0234375 0.0135316 0.0382733), wk = 0.0048544 k( 91) = ( 0.0117188 0.0067658 0.0191366), wk = 0.0048544 k( 92) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0048544 k( 93) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0048544 k( 94) = ( 0.0192308 0.0111029 0.0078509), wk = 0.0048544 k( 95) = ( 0.0384615 0.0222058 0.0157019), wk = 0.0048544 k( 96) = ( 0.0576923 0.0333087 0.0235528), wk = 0.0048544 k( 97) = ( 0.0769231 0.0444116 0.0314037), wk = 0.0048544 k( 98) = ( 0.0961538 0.0555145 0.0392546), wk = 0.0048544 k( 99) = ( 0.1153846 0.0666173 0.0471056), wk = 0.0048544 k( 100) = ( 0.1346154 0.0777202 0.0549565), wk = 0.0048544 k( 101) = ( 0.1538461 0.0888231 0.0628074), wk = 0.0048544 k( 102) = ( 0.1730769 0.0999260 0.0706584), wk = 0.0048544 k( 103) = ( 0.1923077 0.1110289 0.0785093), wk = 0.0048544 k( 104) = ( 0.2115385 0.1221318 0.0863602), wk = 0.0048544 k( 105) = ( 0.2307692 0.1332347 0.0942111), wk = 0.0048544 k( 106) = ( 0.2500000 0.1443376 0.1020621), wk = 0.0048544 k( 107) = ( 0.2692308 0.1554405 0.1099130), wk = 0.0048544 k( 108) = ( 0.2884615 0.1665433 0.1177639), wk = 0.0048544 k( 109) = ( 0.3076923 0.1776462 0.1256149), wk = 0.0048544 k( 110) = ( 0.3269231 0.1887491 0.1334658), wk = 0.0048544 k( 111) = ( 0.3461538 0.1998520 0.1413167), wk = 0.0048544 k( 112) = ( 0.3653846 0.2109549 0.1491676), wk = 0.0048544 k( 113) = ( 0.3846154 0.2220578 0.1570186), wk = 0.0048544 k( 114) = ( 0.4038462 0.2331607 0.1648695), wk = 0.0048544 k( 115) = ( 0.4230769 0.2442636 0.1727204), wk = 0.0048544 k( 116) = ( 0.4423077 0.2553665 0.1805714), wk = 0.0048544 k( 117) = ( 0.4615385 0.2664694 0.1884223), wk = 0.0048544 k( 118) = ( 0.4807692 0.2775722 0.1962732), wk = 0.0048544 k( 119) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0048544 k( 120) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0048544 k( 121) = ( 0.5065789 0.2696834 0.2148675), wk = 0.0048544 k( 122) = ( 0.5131579 0.2506916 0.2256109), wk = 0.0048544 k( 123) = ( 0.5197368 0.2316998 0.2363543), wk = 0.0048544 k( 124) = ( 0.5263158 0.2127080 0.2470977), wk = 0.0048544 k( 125) = ( 0.5328947 0.1937162 0.2578410), wk = 0.0048544 k( 126) = ( 0.5394737 0.1747244 0.2685844), wk = 0.0048544 k( 127) = ( 0.5460526 0.1557326 0.2793278), wk = 0.0048544 k( 128) = ( 0.5526316 0.1367409 0.2900712), wk = 0.0048544 k( 129) = ( 0.5592105 0.1177491 0.3008145), wk = 0.0048544 k( 130) = ( 0.5657895 0.0987573 0.3115579), wk = 0.0048544 k( 131) = ( 0.5723684 0.0797655 0.3223013), wk = 0.0048544 k( 132) = ( 0.5789474 0.0607737 0.3330447), wk = 0.0048544 k( 133) = ( 0.5855263 0.0417819 0.3437880), wk = 0.0048544 k( 134) = ( 0.5921053 0.0227901 0.3545314), wk = 0.0048544 k( 135) = ( 0.5986842 0.0037984 0.3652748), wk = 0.0048544 k( 136) = ( 0.6052632 -0.0151934 0.3760182), wk = 0.0048544 k( 137) = ( 0.6118421 -0.0341852 0.3867615), wk = 0.0048544 k( 138) = ( 0.6184211 -0.0531770 0.3975049), wk = 0.0048544 k( 139) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0048544 k( 140) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0048544 k( 141) = ( 0.6136364 -0.0656080 0.4268050), wk = 0.0048544 k( 142) = ( 0.6022727 -0.0590472 0.4453618), wk = 0.0048544 k( 143) = ( 0.5909091 -0.0524864 0.4639185), wk = 0.0048544 k( 144) = ( 0.5795455 -0.0459256 0.4824753), wk = 0.0048544 k( 145) = ( 0.5681818 -0.0393648 0.5010320), wk = 0.0048544 k( 146) = ( 0.5568182 -0.0328040 0.5195887), wk = 0.0048544 k( 147) = ( 0.5454545 -0.0262432 0.5381455), wk = 0.0048544 k( 148) = ( 0.5340909 -0.0196824 0.5567022), wk = 0.0048544 k( 149) = ( 0.5227273 -0.0131216 0.5752590), wk = 0.0048544 k( 150) = ( 0.5113636 -0.0065608 0.5938157), wk = 0.0048544 k( 151) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0048544 k( 152) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0048544 k( 153) = ( 0.5000000 0.0131216 0.5938157), wk = 0.0048544 k( 154) = ( 0.5000000 0.0262432 0.5752590), wk = 0.0048544 k( 155) = ( 0.5000000 0.0393648 0.5567022), wk = 0.0048544 k( 156) = ( 0.5000000 0.0524864 0.5381455), wk = 0.0048544 k( 157) = ( 0.5000000 0.0656080 0.5195887), wk = 0.0048544 k( 158) = ( 0.5000000 0.0787296 0.5010320), wk = 0.0048544 k( 159) = ( 0.5000000 0.0918512 0.4824753), wk = 0.0048544 k( 160) = ( 0.5000000 0.1049728 0.4639185), wk = 0.0048544 k( 161) = ( 0.5000000 0.1180944 0.4453618), wk = 0.0048544 k( 162) = ( 0.5000000 0.1312160 0.4268050), wk = 0.0048544 k( 163) = ( 0.5000000 0.1443376 0.4082483), wk = 0.0048544 k( 164) = ( 0.5000000 0.1574592 0.3896915), wk = 0.0048544 k( 165) = ( 0.5000000 0.1705808 0.3711348), wk = 0.0048544 k( 166) = ( 0.5000000 0.1837024 0.3525781), wk = 0.0048544 k( 167) = ( 0.5000000 0.1968240 0.3340213), wk = 0.0048544 k( 168) = ( 0.5000000 0.2099456 0.3154646), wk = 0.0048544 k( 169) = ( 0.5000000 0.2230672 0.2969078), wk = 0.0048544 k( 170) = ( 0.5000000 0.2361887 0.2783511), wk = 0.0048544 k( 171) = ( 0.5000000 0.2493103 0.2597944), wk = 0.0048544 k( 172) = ( 0.5000000 0.2624319 0.2412376), wk = 0.0048544 k( 173) = ( 0.5000000 0.2755535 0.2226809), wk = 0.0048544 k( 174) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0048544 k( 175) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0048544 k( 176) = ( 0.4934211 0.2848768 0.2256109), wk = 0.0048544 k( 177) = ( 0.4868421 0.2810784 0.2470976), wk = 0.0048544 k( 178) = ( 0.4802632 0.2772801 0.2685844), wk = 0.0048544 k( 179) = ( 0.4736842 0.2734817 0.2900712), wk = 0.0048544 k( 180) = ( 0.4671053 0.2696833 0.3115579), wk = 0.0048544 k( 181) = ( 0.4605263 0.2658850 0.3330447), wk = 0.0048544 k( 182) = ( 0.4539474 0.2620866 0.3545314), wk = 0.0048544 k( 183) = ( 0.4473684 0.2582883 0.3760182), wk = 0.0048544 k( 184) = ( 0.4407895 0.2544899 0.3975049), wk = 0.0048544 k( 185) = ( 0.4342105 0.2506916 0.4189917), wk = 0.0048544 k( 186) = ( 0.4276316 0.2468932 0.4404784), wk = 0.0048544 k( 187) = ( 0.4210526 0.2430948 0.4619652), wk = 0.0048544 k( 188) = ( 0.4144737 0.2392965 0.4834519), wk = 0.0048544 k( 189) = ( 0.4078947 0.2354981 0.5049387), wk = 0.0048544 k( 190) = ( 0.4013158 0.2316998 0.5264254), wk = 0.0048544 k( 191) = ( 0.3947368 0.2279014 0.5479122), wk = 0.0048544 k( 192) = ( 0.3881579 0.2241031 0.5693989), wk = 0.0048544 k( 193) = ( 0.3815789 0.2203047 0.5908857), wk = 0.0048544 k( 194) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0048544 k( 195) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0048544 k( 196) = ( 0.6136364 -0.0918512 0.4082483), wk = 0.0048544 k( 197) = ( 0.6022727 -0.1115336 0.4082483), wk = 0.0048544 k( 198) = ( 0.5909091 -0.1312160 0.4082483), wk = 0.0048544 k( 199) = ( 0.5795455 -0.1508984 0.4082483), wk = 0.0048544 k( 200) = ( 0.5681818 -0.1705808 0.4082483), wk = 0.0048544 k( 201) = ( 0.5568182 -0.1902632 0.4082483), wk = 0.0048544 k( 202) = ( 0.5454545 -0.2099456 0.4082483), wk = 0.0048544 k( 203) = ( 0.5340909 -0.2296279 0.4082483), wk = 0.0048544 k( 204) = ( 0.5227273 -0.2493103 0.4082483), wk = 0.0048544 k( 205) = ( 0.5113636 -0.2689927 0.4082483), wk = 0.0048544 k( 206) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0048544 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0048544 k( 2) = ( 0.0166667 -0.0000000 0.0166667), wk = 0.0048544 k( 3) = ( 0.0333333 -0.0000000 0.0333333), wk = 0.0048544 k( 4) = ( 0.0500000 -0.0000000 0.0500000), wk = 0.0048544 k( 5) = ( 0.0666667 -0.0000000 0.0666667), wk = 0.0048544 k( 6) = ( 0.0833333 -0.0000000 0.0833333), wk = 0.0048544 k( 7) = ( 0.1000000 -0.0000000 0.1000000), wk = 0.0048544 k( 8) = ( 0.1166667 -0.0000000 0.1166667), wk = 0.0048544 k( 9) = ( 0.1333333 -0.0000000 0.1333333), wk = 0.0048544 k( 10) = ( 0.1500000 -0.0000000 0.1500000), wk = 0.0048544 k( 11) = ( 0.1666667 -0.0000000 0.1666667), wk = 0.0048544 k( 12) = ( 0.1833333 -0.0000000 0.1833333), wk = 0.0048544 k( 13) = ( 0.2000000 -0.0000000 0.2000000), wk = 0.0048544 k( 14) = ( 0.2166667 -0.0000000 0.2166667), wk = 0.0048544 k( 15) = ( 0.2333333 -0.0000000 0.2333333), wk = 0.0048544 k( 16) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0048544 k( 17) = ( 0.2666667 0.0000000 0.2666667), wk = 0.0048544 k( 18) = ( 0.2833333 -0.0000000 0.2833333), wk = 0.0048544 k( 19) = ( 0.3000000 -0.0000000 0.3000000), wk = 0.0048544 k( 20) = ( 0.3166667 -0.0000000 0.3166667), wk = 0.0048544 k( 21) = ( 0.3333333 -0.0000000 0.3333333), wk = 0.0048544 k( 22) = ( 0.3500000 -0.0000000 0.3500000), wk = 0.0048544 k( 23) = ( 0.3666667 -0.0000000 0.3666667), wk = 0.0048544 k( 24) = ( 0.3833333 -0.0000000 0.3833333), wk = 0.0048544 k( 25) = ( 0.4000000 -0.0000000 0.4000000), wk = 0.0048544 k( 26) = ( 0.4166667 -0.0000000 0.4166667), wk = 0.0048544 k( 27) = ( 0.4333333 -0.0000000 0.4333333), wk = 0.0048544 k( 28) = ( 0.4500000 -0.0000000 0.4500000), wk = 0.0048544 k( 29) = ( 0.4666667 -0.0000000 0.4666667), wk = 0.0048544 k( 30) = ( 0.4833333 -0.0000000 0.4833333), wk = 0.0048544 k( 31) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0048544 k( 32) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0048544 k( 33) = ( 0.5000000 0.0166667 0.5166667), wk = 0.0048544 k( 34) = ( 0.5000000 0.0333333 0.5333333), wk = 0.0048544 k( 35) = ( 0.5000000 0.0500000 0.5500000), wk = 0.0048544 k( 36) = ( 0.5000000 0.0666667 0.5666667), wk = 0.0048544 k( 37) = ( 0.5000000 0.0833333 0.5833333), wk = 0.0048544 k( 38) = ( 0.5000000 0.1000000 0.6000000), wk = 0.0048544 k( 39) = ( 0.5000000 0.1166667 0.6166667), wk = 0.0048544 k( 40) = ( 0.5000000 0.1333333 0.6333333), wk = 0.0048544 k( 41) = ( 0.5000000 0.1500000 0.6500000), wk = 0.0048544 k( 42) = ( 0.5000000 0.1666667 0.6666667), wk = 0.0048544 k( 43) = ( 0.5000000 0.1833333 0.6833333), wk = 0.0048544 k( 44) = ( 0.5000000 0.2000000 0.7000000), wk = 0.0048544 k( 45) = ( 0.5000000 0.2166667 0.7166667), wk = 0.0048544 k( 46) = ( 0.5000000 0.2333333 0.7333333), wk = 0.0048544 k( 47) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0048544 k( 48) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0048544 k( 49) = ( 0.4886364 0.2613636 0.7500000), wk = 0.0048544 k( 50) = ( 0.4772727 0.2727273 0.7500000), wk = 0.0048544 k( 51) = ( 0.4659091 0.2840909 0.7500000), wk = 0.0048544 k( 52) = ( 0.4545455 0.2954545 0.7500000), wk = 0.0048544 k( 53) = ( 0.4431818 0.3068182 0.7500000), wk = 0.0048544 k( 54) = ( 0.4318182 0.3181818 0.7500000), wk = 0.0048544 k( 55) = ( 0.4204545 0.3295455 0.7500000), wk = 0.0048544 k( 56) = ( 0.4090909 0.3409091 0.7500000), wk = 0.0048544 k( 57) = ( 0.3977273 0.3522727 0.7500000), wk = 0.0048544 k( 58) = ( 0.3863636 0.3636364 0.7500000), wk = 0.0048544 k( 59) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0048544 k( 60) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0048544 k( 61) = ( 0.3632812 0.3632812 0.7265625), wk = 0.0048544 k( 62) = ( 0.3515625 0.3515625 0.7031250), wk = 0.0048544 k( 63) = ( 0.3398438 0.3398437 0.6796875), wk = 0.0048544 k( 64) = ( 0.3281250 0.3281250 0.6562500), wk = 0.0048544 k( 65) = ( 0.3164062 0.3164062 0.6328125), wk = 0.0048544 k( 66) = ( 0.3046875 0.3046875 0.6093750), wk = 0.0048544 k( 67) = ( 0.2929688 0.2929688 0.5859375), wk = 0.0048544 k( 68) = ( 0.2812500 0.2812500 0.5625000), wk = 0.0048544 k( 69) = ( 0.2695312 0.2695312 0.5390625), wk = 0.0048544 k( 70) = ( 0.2578125 0.2578125 0.5156250), wk = 0.0048544 k( 71) = ( 0.2460938 0.2460937 0.4921875), wk = 0.0048544 k( 72) = ( 0.2343750 0.2343750 0.4687500), wk = 0.0048544 k( 73) = ( 0.2226562 0.2226562 0.4453125), wk = 0.0048544 k( 74) = ( 0.2109375 0.2109375 0.4218750), wk = 0.0048544 k( 75) = ( 0.1992188 0.1992187 0.3984375), wk = 0.0048544 k( 76) = ( 0.1875000 0.1875000 0.3750000), wk = 0.0048544 k( 77) = ( 0.1757812 0.1757812 0.3515625), wk = 0.0048544 k( 78) = ( 0.1640625 0.1640625 0.3281250), wk = 0.0048544 k( 79) = ( 0.1523438 0.1523437 0.3046875), wk = 0.0048544 k( 80) = ( 0.1406250 0.1406250 0.2812500), wk = 0.0048544 k( 81) = ( 0.1289062 0.1289062 0.2578125), wk = 0.0048544 k( 82) = ( 0.1171875 0.1171875 0.2343750), wk = 0.0048544 k( 83) = ( 0.1054688 0.1054687 0.2109375), wk = 0.0048544 k( 84) = ( 0.0937500 0.0937500 0.1875000), wk = 0.0048544 k( 85) = ( 0.0820312 0.0820312 0.1640625), wk = 0.0048544 k( 86) = ( 0.0703125 0.0703125 0.1406250), wk = 0.0048544 k( 87) = ( 0.0585938 0.0585937 0.1171875), wk = 0.0048544 k( 88) = ( 0.0468750 0.0468750 0.0937500), wk = 0.0048544 k( 89) = ( 0.0351562 0.0351562 0.0703125), wk = 0.0048544 k( 90) = ( 0.0234375 0.0234375 0.0468750), wk = 0.0048544 k( 91) = ( 0.0117188 0.0117188 0.0234375), wk = 0.0048544 k( 92) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0048544 k( 93) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0048544 k( 94) = ( 0.0192308 0.0192308 0.0192308), wk = 0.0048544 k( 95) = ( 0.0384615 0.0384615 0.0384615), wk = 0.0048544 k( 96) = ( 0.0576923 0.0576923 0.0576923), wk = 0.0048544 k( 97) = ( 0.0769231 0.0769231 0.0769231), wk = 0.0048544 k( 98) = ( 0.0961538 0.0961538 0.0961538), wk = 0.0048544 k( 99) = ( 0.1153846 0.1153846 0.1153846), wk = 0.0048544 k( 100) = ( 0.1346154 0.1346154 0.1346154), wk = 0.0048544 k( 101) = ( 0.1538461 0.1538461 0.1538461), wk = 0.0048544 k( 102) = ( 0.1730769 0.1730769 0.1730769), wk = 0.0048544 k( 103) = ( 0.1923077 0.1923077 0.1923077), wk = 0.0048544 k( 104) = ( 0.2115385 0.2115385 0.2115385), wk = 0.0048544 k( 105) = ( 0.2307692 0.2307692 0.2307692), wk = 0.0048544 k( 106) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0048544 k( 107) = ( 0.2692308 0.2692308 0.2692308), wk = 0.0048544 k( 108) = ( 0.2884615 0.2884615 0.2884615), wk = 0.0048544 k( 109) = ( 0.3076923 0.3076923 0.3076923), wk = 0.0048544 k( 110) = ( 0.3269231 0.3269231 0.3269231), wk = 0.0048544 k( 111) = ( 0.3461538 0.3461538 0.3461538), wk = 0.0048544 k( 112) = ( 0.3653846 0.3653846 0.3653846), wk = 0.0048544 k( 113) = ( 0.3846154 0.3846154 0.3846154), wk = 0.0048544 k( 114) = ( 0.4038462 0.4038461 0.4038462), wk = 0.0048544 k( 115) = ( 0.4230769 0.4230769 0.4230769), wk = 0.0048544 k( 116) = ( 0.4423077 0.4423077 0.4423077), wk = 0.0048544 k( 117) = ( 0.4615385 0.4615385 0.4615385), wk = 0.0048544 k( 118) = ( 0.4807692 0.4807692 0.4807692), wk = 0.0048544 k( 119) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0048544 k( 120) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0048544 k( 121) = ( 0.5065789 0.4868421 0.5065789), wk = 0.0048544 k( 122) = ( 0.5131579 0.4736842 0.5131579), wk = 0.0048544 k( 123) = ( 0.5197368 0.4605263 0.5197368), wk = 0.0048544 k( 124) = ( 0.5263158 0.4473684 0.5263158), wk = 0.0048544 k( 125) = ( 0.5328947 0.4342105 0.5328947), wk = 0.0048544 k( 126) = ( 0.5394737 0.4210526 0.5394737), wk = 0.0048544 k( 127) = ( 0.5460526 0.4078947 0.5460526), wk = 0.0048544 k( 128) = ( 0.5526316 0.3947368 0.5526316), wk = 0.0048544 k( 129) = ( 0.5592105 0.3815789 0.5592105), wk = 0.0048544 k( 130) = ( 0.5657895 0.3684210 0.5657895), wk = 0.0048544 k( 131) = ( 0.5723684 0.3552632 0.5723684), wk = 0.0048544 k( 132) = ( 0.5789474 0.3421053 0.5789474), wk = 0.0048544 k( 133) = ( 0.5855263 0.3289474 0.5855263), wk = 0.0048544 k( 134) = ( 0.5921053 0.3157895 0.5921053), wk = 0.0048544 k( 135) = ( 0.5986842 0.3026316 0.5986842), wk = 0.0048544 k( 136) = ( 0.6052632 0.2894737 0.6052632), wk = 0.0048544 k( 137) = ( 0.6118421 0.2763158 0.6118421), wk = 0.0048544 k( 138) = ( 0.6184211 0.2631579 0.6184211), wk = 0.0048544 k( 139) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0048544 k( 140) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0048544 k( 141) = ( 0.6136364 0.2500000 0.6363636), wk = 0.0048544 k( 142) = ( 0.6022727 0.2500000 0.6477273), wk = 0.0048544 k( 143) = ( 0.5909091 0.2500000 0.6590909), wk = 0.0048544 k( 144) = ( 0.5795455 0.2500000 0.6704545), wk = 0.0048544 k( 145) = ( 0.5681818 0.2500000 0.6818182), wk = 0.0048544 k( 146) = ( 0.5568182 0.2500000 0.6931818), wk = 0.0048544 k( 147) = ( 0.5454545 0.2500000 0.7045455), wk = 0.0048544 k( 148) = ( 0.5340909 0.2500000 0.7159091), wk = 0.0048544 k( 149) = ( 0.5227273 0.2500000 0.7272727), wk = 0.0048544 k( 150) = ( 0.5113636 0.2500000 0.7386364), wk = 0.0048544 k( 151) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0048544 k( 152) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0048544 k( 153) = ( 0.5000000 0.2613636 0.7386364), wk = 0.0048544 k( 154) = ( 0.5000000 0.2727273 0.7272727), wk = 0.0048544 k( 155) = ( 0.5000000 0.2840909 0.7159091), wk = 0.0048544 k( 156) = ( 0.5000000 0.2954545 0.7045455), wk = 0.0048544 k( 157) = ( 0.5000000 0.3068182 0.6931818), wk = 0.0048544 k( 158) = ( 0.5000000 0.3181818 0.6818182), wk = 0.0048544 k( 159) = ( 0.5000000 0.3295454 0.6704546), wk = 0.0048544 k( 160) = ( 0.5000000 0.3409091 0.6590909), wk = 0.0048544 k( 161) = ( 0.5000000 0.3522727 0.6477273), wk = 0.0048544 k( 162) = ( 0.5000000 0.3636364 0.6363636), wk = 0.0048544 k( 163) = ( 0.5000000 0.3750000 0.6250000), wk = 0.0048544 k( 164) = ( 0.5000000 0.3863636 0.6136364), wk = 0.0048544 k( 165) = ( 0.5000000 0.3977273 0.6022727), wk = 0.0048544 k( 166) = ( 0.5000000 0.4090909 0.5909091), wk = 0.0048544 k( 167) = ( 0.5000000 0.4204545 0.5795455), wk = 0.0048544 k( 168) = ( 0.5000000 0.4318182 0.5681818), wk = 0.0048544 k( 169) = ( 0.5000000 0.4431818 0.5568182), wk = 0.0048544 k( 170) = ( 0.5000000 0.4545454 0.5454546), wk = 0.0048544 k( 171) = ( 0.5000000 0.4659091 0.5340909), wk = 0.0048544 k( 172) = ( 0.5000000 0.4772727 0.5227273), wk = 0.0048544 k( 173) = ( 0.5000000 0.4886364 0.5113636), wk = 0.0048544 k( 174) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0048544 k( 175) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0048544 k( 176) = ( 0.4934211 0.4934210 0.5131579), wk = 0.0048544 k( 177) = ( 0.4868421 0.4868421 0.5263158), wk = 0.0048544 k( 178) = ( 0.4802632 0.4802632 0.5394737), wk = 0.0048544 k( 179) = ( 0.4736842 0.4736842 0.5526316), wk = 0.0048544 k( 180) = ( 0.4671053 0.4671053 0.5657895), wk = 0.0048544 k( 181) = ( 0.4605263 0.4605263 0.5789474), wk = 0.0048544 k( 182) = ( 0.4539474 0.4539474 0.5921053), wk = 0.0048544 k( 183) = ( 0.4473684 0.4473684 0.6052632), wk = 0.0048544 k( 184) = ( 0.4407895 0.4407895 0.6184211), wk = 0.0048544 k( 185) = ( 0.4342105 0.4342105 0.6315789), wk = 0.0048544 k( 186) = ( 0.4276316 0.4276316 0.6447368), wk = 0.0048544 k( 187) = ( 0.4210526 0.4210526 0.6578947), wk = 0.0048544 k( 188) = ( 0.4144737 0.4144737 0.6710526), wk = 0.0048544 k( 189) = ( 0.4078947 0.4078947 0.6842105), wk = 0.0048544 k( 190) = ( 0.4013158 0.4013158 0.6973684), wk = 0.0048544 k( 191) = ( 0.3947368 0.3947368 0.7105263), wk = 0.0048544 k( 192) = ( 0.3881579 0.3881579 0.7236842), wk = 0.0048544 k( 193) = ( 0.3815789 0.3815789 0.7368421), wk = 0.0048544 k( 194) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0048544 k( 195) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0048544 k( 196) = ( 0.6136364 0.2272727 0.6136364), wk = 0.0048544 k( 197) = ( 0.6022727 0.2045454 0.6022727), wk = 0.0048544 k( 198) = ( 0.5909091 0.1818182 0.5909091), wk = 0.0048544 k( 199) = ( 0.5795455 0.1590909 0.5795455), wk = 0.0048544 k( 200) = ( 0.5681818 0.1363636 0.5681818), wk = 0.0048544 k( 201) = ( 0.5568182 0.1136364 0.5568182), wk = 0.0048544 k( 202) = ( 0.5454545 0.0909091 0.5454545), wk = 0.0048544 k( 203) = ( 0.5340909 0.0681818 0.5340909), wk = 0.0048544 k( 204) = ( 0.5227273 0.0454545 0.5227273), wk = 0.0048544 k( 205) = ( 0.5113636 0.0227273 0.5113636), wk = 0.0048544 k( 206) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0048544 Dense grid: 237665 G-vectors FFT dimensions: ( 90, 90, 90) Smooth grid: 110371 G-vectors FFT dimensions: ( 72, 72, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.52 Mb ( 390, 88) NL pseudopotentials 0.55 Mb ( 195, 186) Each V/rho on FFT grid 0.25 Mb ( 16200) Each G-vector array 0.03 Mb ( 3301) G-vector shells 0.01 Mb ( 1011) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 2.09 Mb ( 390, 352) Each subspace H/S matrix 0.05 Mb ( 58, 58) Each matrix 0.50 Mb ( 186, 2, 88) The potential is recalculated from file : ./Rb2WBr6.save/charge-density.dat Starting wfc are 106 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 5.4 secs Computing kpt #: 2 total cpu time spent up to now is 7.1 secs Computing kpt #: 3 total cpu time spent up to now is 8.7 secs Computing kpt #: 4 total cpu time spent up to now is 10.5 secs Computing kpt #: 5 total cpu time spent up to now is 12.2 secs Computing kpt #: 6 total cpu time spent up to now is 13.9 secs Computing kpt #: 7 total cpu time spent up to now is 15.7 secs Computing kpt #: 8 total cpu time spent up to now is 17.4 secs Computing kpt #: 9 total cpu time spent up to now is 19.1 secs Computing kpt #: 10 total cpu time spent up to now is 20.8 secs Computing kpt #: 11 total cpu time spent up to now is 22.5 secs Computing kpt #: 12 total cpu time spent up to now is 24.3 secs Computing kpt #: 13 total cpu time spent up to now is 26.0 secs Computing kpt #: 14 total cpu time spent up to now is 27.7 secs Computing kpt #: 15 total cpu time spent up to now is 29.5 secs Computing kpt #: 16 total cpu time spent up to now is 31.2 secs Computing kpt #: 17 total cpu time spent up to now is 33.0 secs Computing kpt #: 18 total cpu time spent up to now is 34.7 secs Computing kpt #: 19 total cpu time spent up to now is 36.4 secs Computing kpt #: 20 total cpu time spent up to now is 38.1 secs Computing kpt #: 21 total cpu time spent up to now is 39.8 secs Computing kpt #: 22 total cpu time spent up to now is 42.4 secs Computing kpt #: 23 total cpu time spent up to now is 44.1 secs Computing kpt #: 24 total cpu time spent up to now is 45.8 secs Computing kpt #: 25 total cpu time spent up to now is 47.5 secs Computing kpt #: 26 total cpu time spent up to now is 49.1 secs Computing kpt #: 27 total cpu time spent up to now is 50.9 secs Computing kpt #: 28 total cpu time spent up to now is 52.6 secs Computing kpt #: 29 total cpu time spent up to now is 54.6 secs Computing kpt #: 30 total cpu time spent up to now is 57.1 secs Computing kpt #: 31 total cpu time spent up to now is 58.8 secs Computing kpt #: 32 total cpu time spent up to now is 60.5 secs Computing kpt #: 33 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 64.8 secs Computing kpt #: 34 total cpu time spent up to now is 68.3 secs Computing kpt #: 35 total cpu time spent up to now is 71.1 secs Computing kpt #: 36 total cpu time spent up to now is 73.2 secs Computing kpt #: 37 total cpu time spent up to now is 75.2 secs Computing kpt #: 38 total cpu time spent up to now is 77.2 secs Computing kpt #: 39 total cpu time spent up to now is 79.1 secs Computing kpt #: 40 total cpu time spent up to now is 81.0 secs Computing kpt #: 41 total cpu time spent up to now is 82.7 secs Computing kpt #: 42 total cpu time spent up to now is 84.5 secs Computing kpt #: 43 total cpu time spent up to now is 86.2 secs Computing kpt #: 44 total cpu time spent up to now is 88.0 secs Computing kpt #: 45 total cpu time spent up to now is 89.7 secs Computing kpt #: 46 total cpu time spent up to now is 91.5 secs Computing kpt #: 47 total cpu time spent up to now is 93.3 secs Computing kpt #: 48 total cpu time spent up to now is 95.1 secs Computing kpt #: 49 total cpu time spent up to now is 96.8 secs Computing kpt #: 50 total cpu time spent up to now is 98.5 secs Computing kpt #: 51 total cpu time spent up to now is 100.3 secs Computing kpt #: 52 total cpu time spent up to now is 102.0 secs Computing kpt #: 53 total cpu time spent up to now is 103.7 secs Computing kpt #: 54 total cpu time spent up to now is 105.4 secs Computing kpt #: 55 total cpu time spent up to now is 107.2 secs Computing kpt #: 56 total cpu time spent up to now is 108.9 secs Computing kpt #: 57 total cpu time spent up to now is 110.7 secs Computing kpt #: 58 total cpu time spent up to now is 112.4 secs Computing kpt #: 59 total cpu time spent up to now is 114.1 secs Computing kpt #: 60 total cpu time spent up to now is 115.8 secs Computing kpt #: 61 total cpu time spent up to now is 117.5 secs Computing kpt #: 62 total cpu time spent up to now is 119.2 secs Computing kpt #: 63 total cpu time spent up to now is 121.0 secs Computing kpt #: 64 total cpu time spent up to now is 122.8 secs Computing kpt #: 65 total cpu time spent up to now is 124.6 secs Computing kpt #: 66 total cpu time spent up to now is 126.3 secs Computing kpt #: 67 total cpu time spent up to now is 128.1 secs Computing kpt #: 68 total cpu time spent up to now is 129.8 secs Computing kpt #: 69 total cpu time spent up to now is 131.6 secs Computing kpt #: 70 total cpu time spent up to now is 133.4 secs Computing kpt #: 71 total cpu time spent up to now is 135.3 secs Computing kpt #: 72 total cpu time spent up to now is 137.1 secs Computing kpt #: 73 total cpu time spent up to now is 138.9 secs Computing kpt #: 74 total cpu time spent up to now is 140.7 secs Computing kpt #: 75 total cpu time spent up to now is 142.5 secs Computing kpt #: 76 total cpu time spent up to now is 144.2 secs Computing kpt #: 77 total cpu time spent up to now is 145.7 secs Computing kpt #: 78 total cpu time spent up to now is 147.2 secs Computing kpt #: 79 total cpu time spent up to now is 148.7 secs Computing kpt #: 80 total cpu time spent up to now is 150.2 secs Computing kpt #: 81 total cpu time spent up to now is 151.9 secs Computing kpt #: 82 total cpu time spent up to now is 153.5 secs Computing kpt #: 83 total cpu time spent up to now is 155.0 secs Computing kpt #: 84 total cpu time spent up to now is 156.5 secs Computing kpt #: 85 total cpu time spent up to now is 157.9 secs Computing kpt #: 86 total cpu time spent up to now is 159.6 secs Computing kpt #: 87 total cpu time spent up to now is 161.3 secs Computing kpt #: 88 total cpu time spent up to now is 163.0 secs Computing kpt #: 89 total cpu time spent up to now is 164.7 secs Computing kpt #: 90 total cpu time spent up to now is 166.3 secs Computing kpt #: 91 total cpu time spent up to now is 168.0 secs Computing kpt #: 92 total cpu time spent up to now is 169.7 secs Computing kpt #: 93 total cpu time spent up to now is 171.5 secs Computing kpt #: 94 total cpu time spent up to now is 173.1 secs Computing kpt #: 95 total cpu time spent up to now is 174.8 secs Computing kpt #: 96 total cpu time spent up to now is 176.5 secs Computing kpt #: 97 total cpu time spent up to now is 178.2 secs Computing kpt #: 98 total cpu time spent up to now is 179.9 secs Computing kpt #: 99 total cpu time spent up to now is 181.6 secs Computing kpt #: 100 total cpu time spent up to now is 183.0 secs Computing kpt #: 101 total cpu time spent up to now is 184.5 secs Computing kpt #: 102 total cpu time spent up to now is 186.0 secs Computing kpt #: 103 total cpu time spent up to now is 187.4 secs Computing kpt #: 104 total cpu time spent up to now is 188.9 secs Computing kpt #: 105 total cpu time spent up to now is 190.3 secs Computing kpt #: 106 total cpu time spent up to now is 191.8 secs Computing kpt #: 107 total cpu time spent up to now is 193.3 secs Computing kpt #: 108 total cpu time spent up to now is 194.8 secs Computing kpt #: 109 total cpu time spent up to now is 196.3 secs Computing kpt #: 110 total cpu time spent up to now is 197.8 secs Computing kpt #: 111 total cpu time spent up to now is 199.4 secs Computing kpt #: 112 total cpu time spent up to now is 201.1 secs Computing kpt #: 113 total cpu time spent up to now is 202.9 secs Computing kpt #: 114 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 207.3 secs Computing kpt #: 115 total cpu time spent up to now is 210.3 secs Computing kpt #: 116 total cpu time spent up to now is 213.2 secs Computing kpt #: 117 total cpu time spent up to now is 216.9 secs Computing kpt #: 118 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 221.8 secs Computing kpt #: 119 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 226.3 secs Computing kpt #: 120 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 230.9 secs Computing kpt #: 121 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 235.4 secs Computing kpt #: 122 total cpu time spent up to now is 239.5 secs Computing kpt #: 123 total cpu time spent up to now is 242.5 secs Computing kpt #: 124 total cpu time spent up to now is 245.0 secs Computing kpt #: 125 total cpu time spent up to now is 247.0 secs Computing kpt #: 126 total cpu time spent up to now is 249.0 secs Computing kpt #: 127 total cpu time spent up to now is 250.9 secs Computing kpt #: 128 total cpu time spent up to now is 252.9 secs Computing kpt #: 129 total cpu time spent up to now is 254.7 secs Computing kpt #: 130 total cpu time spent up to now is 256.6 secs Computing kpt #: 131 total cpu time spent up to now is 258.3 secs Computing kpt #: 132 total cpu time spent up to now is 260.1 secs Computing kpt #: 133 total cpu time spent up to now is 262.0 secs Computing kpt #: 134 total cpu time spent up to now is 263.7 secs Computing kpt #: 135 total cpu time spent up to now is 265.5 secs Computing kpt #: 136 total cpu time spent up to now is 267.2 secs Computing kpt #: 137 total cpu time spent up to now is 269.0 secs Computing kpt #: 138 total cpu time spent up to now is 270.7 secs Computing kpt #: 139 total cpu time spent up to now is 272.4 secs Computing kpt #: 140 total cpu time spent up to now is 274.1 secs Computing kpt #: 141 total cpu time spent up to now is 275.8 secs Computing kpt #: 142 total cpu time spent up to now is 277.6 secs Computing kpt #: 143 total cpu time spent up to now is 279.3 secs Computing kpt #: 144 total cpu time spent up to now is 281.0 secs Computing kpt #: 145 total cpu time spent up to now is 282.8 secs Computing kpt #: 146 total cpu time spent up to now is 284.5 secs Computing kpt #: 147 total cpu time spent up to now is 286.2 secs Computing kpt #: 148 total cpu time spent up to now is 288.0 secs Computing kpt #: 149 total cpu time spent up to now is 289.7 secs Computing kpt #: 150 total cpu time spent up to now is 291.4 secs Computing kpt #: 151 total cpu time spent up to now is 293.2 secs Computing kpt #: 152 total cpu time spent up to now is 294.9 secs Computing kpt #: 153 total cpu time spent up to now is 296.7 secs Computing kpt #: 154 total cpu time spent up to now is 298.5 secs Computing kpt #: 155 total cpu time spent up to now is 300.3 secs Computing kpt #: 156 total cpu time spent up to now is 302.1 secs Computing kpt #: 157 total cpu time spent up to now is 304.6 secs Computing kpt #: 158 total cpu time spent up to now is 307.2 secs Computing kpt #: 159 total cpu time spent up to now is 310.2 secs Computing kpt #: 160 total cpu time spent up to now is 313.2 secs Computing kpt #: 161 total cpu time spent up to now is 315.3 secs Computing kpt #: 162 total cpu time spent up to now is 318.8 secs Computing kpt #: 163 total cpu time spent up to now is 322.0 secs Computing kpt #: 164 total cpu time spent up to now is 325.4 secs Computing kpt #: 165 total cpu time spent up to now is 329.6 secs Computing kpt #: 166 total cpu time spent up to now is 333.9 secs Computing kpt #: 167 total cpu time spent up to now is 338.1 secs Computing kpt #: 168 total cpu time spent up to now is 341.3 secs Computing kpt #: 169 total cpu time spent up to now is 344.5 secs Computing kpt #: 170 total cpu time spent up to now is 347.7 secs Computing kpt #: 171 total cpu time spent up to now is 351.2 secs Computing kpt #: 172 total cpu time spent up to now is 355.0 secs Computing kpt #: 173 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 359.5 secs Computing kpt #: 174 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 364.0 secs Computing kpt #: 175 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 368.5 secs Computing kpt #: 176 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 372.9 secs Computing kpt #: 177 total cpu time spent up to now is 376.7 secs Computing kpt #: 178 total cpu time spent up to now is 379.6 secs Computing kpt #: 179 total cpu time spent up to now is 382.1 secs Computing kpt #: 180 total cpu time spent up to now is 384.1 secs Computing kpt #: 181 total cpu time spent up to now is 386.1 secs Computing kpt #: 182 total cpu time spent up to now is 388.0 secs Computing kpt #: 183 total cpu time spent up to now is 389.9 secs Computing kpt #: 184 total cpu time spent up to now is 391.8 secs Computing kpt #: 185 total cpu time spent up to now is 393.7 secs Computing kpt #: 186 total cpu time spent up to now is 395.5 secs Computing kpt #: 187 total cpu time spent up to now is 397.3 secs Computing kpt #: 188 total cpu time spent up to now is 399.1 secs Computing kpt #: 189 total cpu time spent up to now is 400.8 secs Computing kpt #: 190 total cpu time spent up to now is 402.6 secs Computing kpt #: 191 total cpu time spent up to now is 404.3 secs Computing kpt #: 192 total cpu time spent up to now is 406.0 secs Computing kpt #: 193 total cpu time spent up to now is 407.7 secs Computing kpt #: 194 total cpu time spent up to now is 409.4 secs Computing kpt #: 195 total cpu time spent up to now is 411.1 secs Computing kpt #: 196 total cpu time spent up to now is 412.9 secs Computing kpt #: 197 total cpu time spent up to now is 414.6 secs Computing kpt #: 198 total cpu time spent up to now is 416.3 secs Computing kpt #: 199 total cpu time spent up to now is 418.0 secs Computing kpt #: 200 total cpu time spent up to now is 419.8 secs Computing kpt #: 201 total cpu time spent up to now is 421.7 secs Computing kpt #: 202 total cpu time spent up to now is 423.6 secs Computing kpt #: 203 total cpu time spent up to now is 425.9 secs Computing kpt #: 204 total cpu time spent up to now is 428.8 secs Computing kpt #: 205 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 433.1 secs Computing kpt #: 206 total cpu time spent up to now is 434.8 secs ethr = 1.35E-08, avg # of iterations = 36.1 total cpu time spent up to now is 434.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 13803 PWs) bands (ev): -69.7036 -69.7036 -41.1099 -41.1099 -31.3406 -31.3406 -31.3406 -31.3406 -21.6751 -21.6751 -21.6719 -21.6719 -10.6673 -10.6673 -10.0117 -10.0117 -9.9438 -9.9438 -9.9438 -9.9438 -9.9171 -9.9171 -9.9171 -9.9171 -6.4138 -6.4138 -6.3779 -6.3779 -5.5578 -5.5578 -5.5578 -5.5578 -5.5084 -5.5084 -5.5084 -5.5084 -1.0833 -1.0833 0.4231 0.4231 0.4232 0.4232 0.6270 0.6270 0.6789 0.6789 0.6789 0.6789 0.6986 0.6986 0.7300 0.7300 0.7300 0.7300 2.3832 2.3832 2.3832 2.3832 2.6010 2.6010 2.6050 2.6050 3.1456 3.1456 3.2114 3.2114 3.2114 3.2114 3.4293 3.4293 3.4293 3.4293 5.0386 5.0386 5.0387 5.0387 5.4340 5.4340 8.0269 8.0269 8.6092 8.6092 8.6092 8.6092 9.0011 9.0011 9.1457 9.1457 k = 0.0167-0.0096 0.0136 ( 13799 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3406 -31.3406 -21.6751 -21.6751 -21.6719 -21.6719 -10.6670 -10.6670 -10.0118 -10.0118 -9.9445 -9.9445 -9.9438 -9.9438 -9.9171 -9.9171 -9.9168 -9.9168 -6.4137 -6.4137 -6.3778 -6.3778 -5.5577 -5.5577 -5.5577 -5.5577 -5.5084 -5.5084 -5.5083 -5.5083 -1.0819 -1.0819 0.4230 0.4230 0.4235 0.4235 0.6273 0.6273 0.6589 0.6589 0.6788 0.6788 0.7057 0.7057 0.7305 0.7305 0.7436 0.7436 2.3822 2.3822 2.3824 2.3824 2.5994 2.5994 2.6040 2.6040 3.1442 3.1442 3.2086 3.2086 3.2103 3.2103 3.4274 3.4274 3.4286 3.4286 5.0391 5.0391 5.0404 5.0404 5.4352 5.4352 8.0313 8.0313 8.6045 8.6045 8.6092 8.6092 9.0050 9.0050 9.1487 9.1487 k = 0.0333-0.0192 0.0272 ( 13767 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6750 -21.6750 -21.6719 -21.6719 -10.6660 -10.6660 -10.0122 -10.0122 -9.9465 -9.9465 -9.9440 -9.9440 -9.9171 -9.9171 -9.9159 -9.9159 -6.4133 -6.4133 -6.3776 -6.3776 -5.5572 -5.5572 -5.5571 -5.5571 -5.5083 -5.5083 -5.5081 -5.5081 -1.0779 -1.0779 0.4224 0.4224 0.4243 0.4243 0.6282 0.6282 0.6285 0.6285 0.6786 0.6786 0.7101 0.7101 0.7322 0.7322 0.7718 0.7718 2.3793 2.3793 2.3801 2.3801 2.5944 2.5944 2.6011 2.6011 3.1403 3.1403 3.2000 3.2000 3.2068 3.2068 3.4215 3.4215 3.4264 3.4264 5.0404 5.0404 5.0455 5.0455 5.4388 5.4388 8.0446 8.0446 8.5904 8.5904 8.6093 8.6093 9.0170 9.0170 9.1579 9.1579 k = 0.0500-0.0289 0.0408 ( 13767 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6750 -21.6750 -21.6720 -21.6720 -10.6645 -10.6645 -10.0128 -10.0128 -9.9496 -9.9496 -9.9443 -9.9443 -9.9170 -9.9170 -9.9148 -9.9148 -6.4126 -6.4126 -6.3774 -6.3774 -5.5565 -5.5565 -5.5562 -5.5562 -5.5081 -5.5081 -5.5076 -5.5076 -1.0711 -1.0711 0.4214 0.4214 0.4252 0.4252 0.5975 0.5975 0.6298 0.6298 0.6783 0.6783 0.7140 0.7140 0.7349 0.7349 0.8030 0.8030 2.3743 2.3743 2.3763 2.3763 2.5861 2.5861 2.5962 2.5962 3.1336 3.1336 3.1861 3.1861 3.2011 3.2011 3.4117 3.4117 3.4228 3.4228 5.0425 5.0425 5.0539 5.0539 5.4449 5.4449 8.0664 8.0664 8.5674 8.5674 8.6094 8.6094 9.0373 9.0373 9.1731 9.1731 k = 0.0667-0.0385 0.0544 ( 13759 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6750 -21.6750 -21.6720 -21.6720 -10.6623 -10.6623 -10.0137 -10.0137 -9.9535 -9.9535 -9.9447 -9.9447 -9.9168 -9.9168 -9.9137 -9.9137 -6.4117 -6.4117 -6.3770 -6.3770 -5.5555 -5.5555 -5.5549 -5.5549 -5.5078 -5.5078 -5.5070 -5.5070 -1.0617 -1.0617 0.4199 0.4199 0.4256 0.4256 0.5680 0.5680 0.6321 0.6321 0.6780 0.6780 0.7188 0.7188 0.7387 0.7387 0.8344 0.8344 2.3673 2.3673 2.3710 2.3710 2.5749 2.5749 2.5894 2.5894 3.1240 3.1240 3.1671 3.1671 3.1933 3.1933 3.3982 3.3982 3.4181 3.4181 5.0451 5.0451 5.0654 5.0654 5.4534 5.4534 8.0964 8.0964 8.5360 8.5360 8.6095 8.6095 9.0662 9.0662 9.1944 9.1944 k = 0.0833-0.0481 0.0680 ( 13775 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6750 -21.6750 -21.6720 -21.6720 -10.6596 -10.6596 -10.0149 -10.0149 -9.9578 -9.9578 -9.9452 -9.9452 -9.9167 -9.9167 -9.9128 -9.9128 -6.4105 -6.4105 -6.3765 -6.3765 -5.5542 -5.5542 -5.5533 -5.5533 -5.5075 -5.5075 -5.5062 -5.5062 -1.0497 -1.0497 0.4177 0.4177 0.4236 0.4236 0.5421 0.5421 0.6352 0.6352 0.6777 0.6777 0.7248 0.7248 0.7435 0.7435 0.8655 0.8655 2.3580 2.3580 2.3643 2.3643 2.5609 2.5609 2.5808 2.5808 3.1114 3.1114 3.1436 3.1436 3.1837 3.1837 3.3811 3.3811 3.4125 3.4125 5.0482 5.0482 5.0798 5.0798 5.4643 5.4643 8.1339 8.1339 8.4974 8.4974 8.6096 8.6096 9.1039 9.1039 9.2215 9.2215 k = 0.1000-0.0577 0.0816 ( 13795 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6749 -21.6749 -21.6720 -21.6720 -10.6563 -10.6563 -10.0164 -10.0164 -9.9625 -9.9625 -9.9459 -9.9459 -9.9165 -9.9165 -9.9122 -9.9122 -6.4092 -6.4092 -6.3760 -6.3760 -5.5527 -5.5527 -5.5514 -5.5514 -5.5071 -5.5071 -5.5053 -5.5053 -1.0352 -1.0352 0.4149 0.4149 0.4167 0.4167 0.5227 0.5227 0.6391 0.6391 0.6775 0.6775 0.7319 0.7319 0.7493 0.7493 0.8958 0.8958 2.3463 2.3463 2.3563 2.3563 2.5443 2.5443 2.5703 2.5703 3.0951 3.0951 3.1166 3.1166 3.1725 3.1725 3.3604 3.3604 3.4062 3.4062 5.0515 5.0515 5.0969 5.0969 5.4777 5.4777 8.1778 8.1778 8.4533 8.4533 8.6098 8.6098 9.1500 9.1500 9.2545 9.2545 k = 0.1167-0.0674 0.0953 ( 13771 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6749 -21.6749 -21.6721 -21.6721 -10.6524 -10.6524 -10.0181 -10.0181 -9.9674 -9.9674 -9.9466 -9.9466 -9.9162 -9.9162 -9.9119 -9.9119 -6.4076 -6.4076 -6.3753 -6.3753 -5.5509 -5.5509 -5.5492 -5.5492 -5.5067 -5.5067 -5.5042 -5.5042 -1.0183 -1.0183 0.4023 0.4023 0.4111 0.4111 0.5126 0.5126 0.6439 0.6439 0.6775 0.6775 0.7402 0.7402 0.7561 0.7561 0.9252 0.9252 2.3322 2.3322 2.3471 2.3471 2.5256 2.5256 2.5582 2.5582 3.0737 3.0737 3.0882 3.0882 3.1598 3.1598 3.3364 3.3364 3.3996 3.3996 5.0547 5.0547 5.1164 5.1164 5.4934 5.4934 8.2249 8.2249 8.4075 8.4075 8.6099 8.6099 9.2042 9.2042 9.2931 9.2931 k = 0.1333-0.0770 0.1089 ( 13771 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6749 -21.6749 -21.6721 -21.6721 -10.6480 -10.6480 -10.0203 -10.0203 -9.9724 -9.9724 -9.9474 -9.9474 -9.9159 -9.9159 -9.9121 -9.9121 -6.4058 -6.4058 -6.3746 -6.3746 -5.5489 -5.5489 -5.5467 -5.5467 -5.5062 -5.5062 -5.5031 -5.5031 -0.9991 -0.9991 0.3810 0.3810 0.4065 0.4065 0.5114 0.5114 0.6492 0.6492 0.6780 0.6780 0.7496 0.7496 0.7639 0.7639 0.9535 0.9535 2.3154 2.3154 2.3368 2.3368 2.5050 2.5050 2.5444 2.5444 3.0447 3.0447 3.0616 3.0616 3.1460 3.1460 3.3095 3.3095 3.3928 3.3928 5.0578 5.0578 5.1380 5.1380 5.5114 5.5114 8.2618 8.2618 8.3741 8.3741 8.6100 8.6100 9.2654 9.2654 9.3372 9.3372 k = 0.1500-0.0866 0.1225 ( 13771 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6748 -21.6748 -21.6721 -21.6721 -10.6432 -10.6432 -10.0228 -10.0228 -9.9773 -9.9773 -9.9483 -9.9483 -9.9157 -9.9157 -9.9128 -9.9128 -6.4038 -6.4038 -6.3738 -6.3738 -5.5466 -5.5466 -5.5439 -5.5439 -5.5057 -5.5057 -5.5017 -5.5017 -0.9779 -0.9779 0.3556 0.3556 0.4010 0.4010 0.5163 0.5163 0.6547 0.6547 0.6797 0.6797 0.7601 0.7601 0.7727 0.7727 0.9806 0.9806 2.2958 2.2958 2.3256 2.3256 2.4827 2.4827 2.5292 2.5292 3.0103 3.0103 3.0354 3.0354 3.1311 3.1311 3.2798 3.2798 3.3862 3.3862 5.0605 5.0605 5.1613 5.1613 5.5315 5.5315 8.2482 8.2482 8.3940 8.3940 8.6101 8.6101 9.3321 9.3321 9.3867 9.3867 k = 0.1667-0.0962 0.1361 ( 13783 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6748 -21.6748 -21.6722 -21.6722 -10.6379 -10.6379 -10.0257 -10.0257 -9.9821 -9.9821 -9.9493 -9.9493 -9.9153 -9.9153 -9.9138 -9.9138 -6.4017 -6.4017 -6.3730 -6.3730 -5.5443 -5.5443 -5.5410 -5.5410 -5.5051 -5.5051 -5.5003 -5.5003 -0.9546 -0.9546 0.3285 0.3285 0.3945 0.3945 0.5251 0.5251 0.6592 0.6592 0.6835 0.6835 0.7717 0.7717 0.7824 0.7824 1.0064 1.0064 2.2734 2.2734 2.3136 2.3136 2.4590 2.4590 2.5126 2.5126 2.9737 2.9737 3.0073 3.0073 3.1153 3.1153 3.2479 3.2479 3.3797 3.3797 5.0629 5.0629 5.1860 5.1860 5.5534 5.5534 8.1974 8.1974 8.4540 8.4540 8.6102 8.6102 9.4018 9.4018 9.4413 9.4413 k = 0.1833-0.1058 0.1497 ( 13799 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6747 -21.6747 -21.6722 -21.6722 -10.6321 -10.6321 -10.0290 -10.0290 -9.9867 -9.9867 -9.9503 -9.9503 -9.9153 -9.9153 -9.9150 -9.9150 -6.3994 -6.3994 -6.3721 -6.3721 -5.5417 -5.5417 -5.5378 -5.5378 -5.5045 -5.5045 -5.4988 -5.4988 -0.9297 -0.9297 0.3011 0.3011 0.3872 0.3872 0.5366 0.5366 0.6621 0.6621 0.6902 0.6902 0.7842 0.7842 0.7930 0.7930 1.0309 1.0309 2.2483 2.2483 2.3010 2.3010 2.4340 2.4340 2.4949 2.4949 2.9364 2.9364 2.9768 2.9768 3.0985 3.0985 3.2143 3.2143 3.3736 3.3736 5.0648 5.0648 5.2118 5.2118 5.5769 5.5769 8.1372 8.1372 8.5270 8.5270 8.6102 8.6102 9.4710 9.4710 9.5008 9.5008 k = 0.2000-0.1155 0.1633 ( 13784 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6746 -21.6746 -21.6723 -21.6723 -10.6261 -10.6261 -10.0327 -10.0327 -9.9910 -9.9910 -9.9514 -9.9514 -9.9172 -9.9172 -9.9147 -9.9147 -6.3970 -6.3970 -6.3711 -6.3711 -5.5391 -5.5391 -5.5345 -5.5345 -5.5038 -5.5038 -5.4973 -5.4973 -0.9032 -0.9032 0.2741 0.2741 0.3791 0.3791 0.5501 0.5501 0.6634 0.6634 0.6994 0.6994 0.7975 0.7975 0.8045 0.8045 1.0541 1.0541 2.2206 2.2206 2.2879 2.2879 2.4077 2.4077 2.4763 2.4763 2.8992 2.8992 2.9442 2.9442 3.0801 3.0801 3.1800 3.1800 3.3680 3.3680 5.0662 5.0662 5.2383 5.2383 5.6017 5.6017 8.0740 8.0740 8.6067 8.6067 8.6103 8.6103 9.5367 9.5367 9.5650 9.5650 k = 0.2167-0.1251 0.1769 ( 13800 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6746 -21.6746 -21.6723 -21.6723 -10.6197 -10.6197 -10.0368 -10.0368 -9.9950 -9.9950 -9.9525 -9.9525 -9.9195 -9.9195 -9.9143 -9.9143 -6.3945 -6.3945 -6.3702 -6.3702 -5.5363 -5.5363 -5.5310 -5.5310 -5.5031 -5.5031 -5.4957 -5.4957 -0.8754 -0.8754 0.2482 0.2482 0.3703 0.3703 0.5651 0.5651 0.6638 0.6638 0.7105 0.7105 0.8116 0.8116 0.8168 0.8168 1.0758 1.0758 2.1905 2.1905 2.2745 2.2745 2.3803 2.3803 2.4569 2.4569 2.8628 2.8628 2.9097 2.9097 3.0594 3.0594 3.1464 3.1464 3.3627 3.3627 5.0672 5.0672 5.2652 5.2652 5.6275 5.6275 8.0098 8.0098 8.6103 8.6103 8.6914 8.6914 9.5987 9.5987 9.6336 9.6336 k = 0.2333-0.1347 0.1905 ( 13816 PWs) bands (ev): -69.7036 -69.7036 -41.1099 -41.1099 -31.3406 -31.3406 -31.3406 -31.3406 -21.6745 -21.6745 -21.6724 -21.6724 -10.6130 -10.6130 -10.0411 -10.0411 -9.9987 -9.9987 -9.9536 -9.9536 -9.9221 -9.9221 -9.9139 -9.9139 -6.3920 -6.3920 -6.3692 -6.3692 -5.5335 -5.5335 -5.5275 -5.5275 -5.5025 -5.5025 -5.4940 -5.4940 -0.8466 -0.8466 0.2235 0.2235 0.3610 0.3610 0.5813 0.5813 0.6637 0.6637 0.7228 0.7228 0.8262 0.8262 0.8298 0.8298 1.0961 1.0961 2.1582 2.1582 2.2611 2.2611 2.3517 2.3517 2.4370 2.4370 2.8274 2.8274 2.8742 2.8742 3.0345 3.0345 3.1156 3.1156 3.3578 3.3578 5.0678 5.0678 5.2923 5.2923 5.6538 5.6538 7.9457 7.9457 8.6102 8.6102 8.7801 8.7801 9.6585 9.6585 9.7063 9.7063 k = 0.2500-0.1443 0.2041 ( 13816 PWs) bands (ev): -69.7036 -69.7036 -41.1099 -41.1099 -31.3406 -31.3406 -31.3406 -31.3406 -21.6745 -21.6745 -21.6724 -21.6724 -10.6062 -10.6062 -10.0457 -10.0457 -10.0022 -10.0022 -9.9548 -9.9548 -9.9250 -9.9250 -9.9136 -9.9136 -6.3895 -6.3895 -6.3682 -6.3682 -5.5307 -5.5307 -5.5239 -5.5239 -5.5018 -5.5018 -5.4923 -5.4923 -0.8171 -0.8171 0.2004 0.2004 0.3514 0.3514 0.5986 0.5986 0.6634 0.6634 0.7360 0.7360 0.8413 0.8413 0.8436 0.8436 1.1150 1.1150 2.1241 2.1241 2.2477 2.2477 2.3223 2.3223 2.4169 2.4169 2.7927 2.7927 2.8385 2.8385 3.0041 3.0041 3.0897 3.0897 3.3534 3.3534 5.0680 5.0680 5.3191 5.3191 5.6805 5.6805 7.8825 7.8825 8.6102 8.6102 8.8723 8.8723 9.7176 9.7176 9.7828 9.7828 k = 0.2667-0.1540 0.2177 ( 13792 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6744 -21.6744 -21.6725 -21.6725 -10.5992 -10.5992 -10.0504 -10.0504 -10.0053 -10.0053 -9.9559 -9.9559 -9.9281 -9.9281 -9.9132 -9.9132 -6.3869 -6.3869 -6.3672 -6.3672 -5.5279 -5.5279 -5.5204 -5.5204 -5.5011 -5.5011 -5.4907 -5.4907 -0.7873 -0.7873 0.1791 0.1791 0.3414 0.3414 0.6168 0.6168 0.6630 0.6630 0.7497 0.7497 0.8565 0.8565 0.8579 0.8579 1.1324 1.1324 2.0885 2.0885 2.2347 2.2347 2.2922 2.2922 2.3968 2.3968 2.7579 2.7579 2.8044 2.8044 2.9682 2.9682 3.0689 3.0689 3.3493 3.3493 5.0679 5.0679 5.3455 5.3455 5.7072 5.7072 7.8207 7.8207 8.6101 8.6101 8.9672 8.9672 9.7766 9.7766 9.8628 9.8628 k = 0.2833-0.1636 0.2313 ( 13776 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6743 -21.6743 -21.6725 -21.6725 -10.5922 -10.5922 -10.0552 -10.0552 -10.0083 -10.0083 -9.9570 -9.9570 -9.9315 -9.9315 -9.9128 -9.9128 -6.3844 -6.3844 -6.3662 -6.3662 -5.5250 -5.5250 -5.5168 -5.5168 -5.5004 -5.5004 -5.4890 -5.4890 -0.7574 -0.7574 0.1598 0.1598 0.3314 0.3314 0.6357 0.6357 0.6625 0.6625 0.7638 0.7638 0.8718 0.8718 0.8727 0.8727 1.1485 1.1485 2.0519 2.0519 2.2222 2.2222 2.2620 2.2620 2.3770 2.3770 2.7219 2.7219 2.7734 2.7734 2.9286 2.9286 3.0519 3.0519 3.3456 3.3456 5.0675 5.0675 5.3711 5.3711 5.7335 5.7335 7.7610 7.7610 8.6101 8.6101 9.0645 9.0645 9.8357 9.8357 9.9459 9.9459 k = 0.3000-0.1732 0.2449 ( 13784 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6743 -21.6743 -21.6725 -21.6725 -10.5852 -10.5852 -10.0599 -10.0599 -10.0111 -10.0111 -9.9581 -9.9581 -9.9349 -9.9349 -9.9125 -9.9125 -6.3820 -6.3820 -6.3652 -6.3652 -5.5223 -5.5223 -5.5134 -5.5134 -5.4997 -5.4997 -5.4874 -5.4874 -0.7279 -0.7279 0.1425 0.1425 0.3215 0.3215 0.6552 0.6552 0.6620 0.6620 0.7779 0.7779 0.8868 0.8868 0.8878 0.8878 1.1631 1.1631 2.0146 2.0146 2.2104 2.2104 2.2322 2.2322 2.3578 2.3578 2.6840 2.6840 2.7466 2.7466 2.8869 2.8869 3.0376 3.0376 3.3423 3.3423 5.0669 5.0669 5.3958 5.3958 5.7591 5.7591 7.7038 7.7038 8.6100 8.6100 9.1636 9.1636 9.8946 9.8946 10.0316 10.0316 k = 0.3167-0.1828 0.2586 ( 13796 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6742 -21.6742 -21.6726 -21.6726 -10.5783 -10.5783 -10.0645 -10.0645 -10.0137 -10.0137 -9.9592 -9.9592 -9.9384 -9.9384 -9.9121 -9.9121 -6.3796 -6.3796 -6.3643 -6.3643 -5.5197 -5.5197 -5.5100 -5.5100 -5.4990 -5.4990 -5.4859 -5.4859 -0.6992 -0.6992 0.1275 0.1275 0.3118 0.3118 0.6615 0.6615 0.6750 0.6750 0.7918 0.7918 0.9012 0.9012 0.9029 0.9029 1.1765 1.1765 1.9771 1.9771 2.1996 2.1996 2.2033 2.2033 2.3393 2.3393 2.6446 2.6446 2.7239 2.7239 2.8443 2.8443 3.0253 3.0253 3.3392 3.3392 5.0663 5.0663 5.4192 5.4192 5.7838 5.7838 7.6496 7.6496 8.6099 8.6099 9.2637 9.2637 9.9527 9.9527 10.1195 10.1195 k = 0.3333-0.1925 0.2722 ( 13836 PWs) bands (ev): -69.7036 -69.7036 -41.1099 -41.1099 -31.3406 -31.3406 -31.3406 -31.3406 -21.6742 -21.6742 -21.6726 -21.6726 -10.5716 -10.5716 -10.0689 -10.0689 -10.0162 -10.0162 -9.9602 -9.9602 -9.9418 -9.9418 -9.9118 -9.9118 -6.3773 -6.3773 -6.3635 -6.3635 -5.5171 -5.5171 -5.5068 -5.5068 -5.4984 -5.4984 -5.4844 -5.4844 -0.6716 -0.6716 0.1147 0.1147 0.3024 0.3024 0.6610 0.6610 0.6950 0.6950 0.8055 0.8055 0.9148 0.9148 0.9180 0.9180 1.1885 1.1885 1.9400 1.9400 2.1759 2.1759 2.1899 2.1899 2.3219 2.3219 2.6047 2.6047 2.7048 2.7048 2.8016 2.8016 3.0144 3.0144 3.3365 3.3365 5.0655 5.0655 5.4413 5.4413 5.8072 5.8072 7.5988 7.5988 8.6098 8.6098 9.3644 9.3644 10.0093 10.0093 10.2089 10.2089 k = 0.3500-0.2021 0.2858 ( 13796 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6741 -21.6741 -21.6727 -21.6727 -10.5652 -10.5652 -10.0730 -10.0730 -10.0186 -10.0186 -9.9612 -9.9612 -9.9451 -9.9451 -9.9115 -9.9115 -6.3752 -6.3752 -6.3626 -6.3626 -5.5147 -5.5147 -5.5038 -5.5038 -5.4977 -5.4977 -5.4831 -5.4831 -0.6456 -0.6456 0.1041 0.1041 0.2935 0.2935 0.6606 0.6606 0.7150 0.7150 0.8186 0.8186 0.9273 0.9273 0.9326 0.9326 1.1994 1.1994 1.9037 1.9037 2.1506 2.1506 2.1815 2.1815 2.3056 2.3056 2.5650 2.5650 2.6886 2.6886 2.7597 2.7597 3.0048 3.0048 3.3340 3.3340 5.0647 5.0647 5.4618 5.4618 5.8292 5.8292 7.5518 7.5518 8.6097 8.6097 9.4648 9.4648 10.0634 10.0634 10.2992 10.2992 k = 0.3667-0.2117 0.2994 ( 13808 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6741 -21.6741 -21.6727 -21.6727 -10.5591 -10.5591 -10.0768 -10.0768 -10.0208 -10.0208 -9.9620 -9.9620 -9.9483 -9.9483 -9.9112 -9.9112 -6.3732 -6.3732 -6.3619 -6.3619 -5.5125 -5.5125 -5.5011 -5.5011 -5.4971 -5.4971 -5.4818 -5.4818 -0.6215 -0.6215 0.0958 0.0958 0.2852 0.2852 0.6602 0.6602 0.7347 0.7347 0.8310 0.8310 0.9383 0.9383 0.9467 0.9467 1.2090 1.2090 1.8689 1.8689 2.1279 2.1279 2.1745 2.1745 2.2908 2.2908 2.5264 2.5264 2.6749 2.6749 2.7190 2.7190 2.9964 2.9964 3.3318 3.3318 5.0638 5.0638 5.4805 5.4805 5.8495 5.8495 7.5088 7.5088 8.6096 8.6096 9.5642 9.5642 10.1137 10.1137 10.3896 10.3896 k = 0.3833-0.2213 0.3130 ( 13800 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6740 -21.6740 -21.6727 -21.6727 -10.5535 -10.5535 -10.0803 -10.0803 -10.0228 -10.0228 -9.9628 -9.9628 -9.9512 -9.9512 -9.9109 -9.9109 -6.3714 -6.3714 -6.3612 -6.3612 -5.5105 -5.5105 -5.4987 -5.4987 -5.4964 -5.4964 -5.4806 -5.4806 -0.5997 -0.5997 0.0895 0.0895 0.2776 0.2776 0.6598 0.6598 0.7539 0.7539 0.8426 0.8426 0.9476 0.9476 0.9598 0.9598 1.2176 1.2176 1.8362 1.8362 2.1080 2.1080 2.1690 2.1690 2.2775 2.2775 2.4895 2.4895 2.6634 2.6634 2.6804 2.6804 2.9891 2.9891 3.3299 3.3299 5.0630 5.0630 5.4973 5.4973 5.8680 5.8680 7.4703 7.4703 8.6095 8.6095 9.6614 9.6614 10.1588 10.1588 10.4791 10.4791 k = 0.4000-0.2309 0.3266 ( 13816 PWs) bands (ev): -69.7036 -69.7036 -41.1099 -41.1099 -31.3406 -31.3406 -31.3406 -31.3406 -21.6740 -21.6740 -21.6728 -21.6728 -10.5484 -10.5484 -10.0834 -10.0834 -10.0247 -10.0247 -9.9636 -9.9636 -9.9539 -9.9539 -9.9107 -9.9107 -6.3698 -6.3698 -6.3606 -6.3606 -5.5087 -5.5087 -5.4971 -5.4971 -5.4953 -5.4953 -5.4796 -5.4796 -0.5805 -0.5805 0.0851 0.0851 0.2708 0.2708 0.6595 0.6595 0.7722 0.7722 0.8531 0.8531 0.9550 0.9550 0.9718 0.9718 1.2250 1.2250 1.8063 1.8063 2.0913 2.0913 2.1651 2.1651 2.2660 2.2660 2.4551 2.4551 2.6445 2.6445 2.6539 2.6539 2.9827 2.9827 3.3283 3.3283 5.0623 5.0623 5.5122 5.5122 5.8843 5.8843 7.4363 7.4363 8.6095 8.6095 9.7553 9.7553 10.1974 10.1974 10.5667 10.5667 k = 0.4167-0.2406 0.3402 ( 13804 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6740 -21.6740 -21.6728 -21.6728 -10.5439 -10.5439 -10.0860 -10.0860 -10.0264 -10.0264 -9.9642 -9.9642 -9.9562 -9.9562 -9.9105 -9.9105 -6.3684 -6.3684 -6.3601 -6.3601 -5.5072 -5.5072 -5.4964 -5.4964 -5.4937 -5.4937 -5.4787 -5.4787 -0.5641 -0.5641 0.0824 0.0824 0.2649 0.2649 0.6592 0.6592 0.7893 0.7893 0.8623 0.8623 0.9604 0.9604 0.9824 0.9824 1.2314 1.2314 1.7797 1.7797 2.0777 2.0777 2.1625 2.1625 2.2563 2.2563 2.4240 2.4240 2.6119 2.6119 2.6461 2.6461 2.9774 2.9774 3.3269 3.3269 5.0616 5.0616 5.5249 5.5249 5.8984 5.8984 7.4072 7.4072 8.6094 8.6094 9.8447 9.8447 10.2276 10.2276 10.6510 10.6510 k = 0.4333-0.2502 0.3538 ( 13816 PWs) bands (ev): -69.7036 -69.7036 -41.1099 -41.1099 -31.3406 -31.3406 -31.3406 -31.3406 -21.6739 -21.6739 -21.6728 -21.6728 -10.5402 -10.5402 -10.0883 -10.0883 -10.0279 -10.0279 -9.9647 -9.9647 -9.9582 -9.9582 -9.9103 -9.9103 -6.3672 -6.3672 -6.3596 -6.3596 -5.5059 -5.5059 -5.4959 -5.4959 -5.4921 -5.4921 -5.4780 -5.4780 -0.5505 -0.5505 0.0808 0.0808 0.2599 0.2599 0.6590 0.6590 0.8046 0.8046 0.8702 0.8702 0.9640 0.9640 0.9913 0.9913 1.2366 1.2366 1.7571 1.7571 2.0673 2.0673 2.1611 2.1611 2.2485 2.2485 2.3968 2.3968 2.5835 2.5835 2.6399 2.6399 2.9731 2.9731 3.3258 3.3258 5.0610 5.0610 5.5354 5.5354 5.9101 5.9101 7.3832 7.3832 8.6093 8.6093 9.9278 9.9278 10.2481 10.2481 10.7307 10.7307 k = 0.4500-0.2598 0.3674 ( 13812 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3406 -31.3406 -21.6739 -21.6739 -21.6728 -21.6728 -10.5371 -10.5371 -10.0900 -10.0900 -10.0291 -10.0291 -9.9651 -9.9651 -9.9597 -9.9597 -9.9102 -9.9102 -6.3663 -6.3663 -6.3593 -6.3593 -5.5049 -5.5049 -5.4956 -5.4956 -5.4909 -5.4909 -5.4774 -5.4774 -0.5399 -0.5399 0.0802 0.0802 0.2560 0.2560 0.6588 0.6588 0.8175 0.8175 0.8765 0.8765 0.9660 0.9660 0.9985 0.9985 1.2408 1.2408 1.7390 1.7390 2.0598 2.0598 2.1605 2.1605 2.2426 2.2426 2.3745 2.3745 2.5601 2.5601 2.6351 2.6351 2.9697 2.9697 3.3249 3.3249 5.0606 5.0606 5.5436 5.5436 5.9193 5.9193 7.3644 7.3644 8.6093 8.6093 10.0028 10.0028 10.2576 10.2576 10.8043 10.8043 k = 0.4667-0.2694 0.3810 ( 13796 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6739 -21.6739 -21.6729 -21.6729 -10.5349 -10.5349 -10.0912 -10.0912 -10.0299 -10.0299 -9.9654 -9.9654 -9.9609 -9.9609 -9.9101 -9.9101 -6.3657 -6.3657 -6.3590 -6.3590 -5.5041 -5.5041 -5.4954 -5.4954 -5.4900 -5.4900 -5.4770 -5.4770 -0.5324 -0.5324 0.0800 0.0800 0.2532 0.2532 0.6586 0.6586 0.8275 0.8275 0.8811 0.8811 0.9669 0.9669 1.0037 1.0037 1.2437 1.2437 1.7257 1.7257 2.0548 2.0548 2.1605 2.1605 2.2385 2.2385 2.3577 2.3577 2.5425 2.5425 2.6318 2.6318 2.9673 2.9673 3.3243 3.3243 5.0602 5.0602 5.5495 5.5495 5.9260 5.9260 7.3508 7.3508 8.6093 8.6093 10.0668 10.0668 10.2563 10.2563 10.8703 10.8703 k = 0.4833-0.2791 0.3946 ( 13788 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6739 -21.6739 -21.6729 -21.6729 -10.5336 -10.5336 -10.0920 -10.0920 -10.0305 -10.0305 -9.9656 -9.9656 -9.9615 -9.9615 -9.9100 -9.9100 -6.3653 -6.3653 -6.3589 -6.3589 -5.5037 -5.5037 -5.4953 -5.4953 -5.4894 -5.4894 -5.4768 -5.4768 -0.5279 -0.5279 0.0800 0.0800 0.2515 0.2515 0.6586 0.6586 0.8339 0.8339 0.8839 0.8839 0.9671 0.9671 1.0068 1.0068 1.2455 1.2455 1.7176 1.7176 2.0520 2.0520 2.1606 2.1606 2.2362 2.2362 2.3474 2.3474 2.5316 2.5316 2.6298 2.6298 2.9659 2.9659 3.3239 3.3239 5.0600 5.0600 5.5531 5.5531 5.9300 5.9300 7.3427 7.3427 8.6092 8.6092 10.1147 10.1147 10.2469 10.2469 10.9272 10.9272 k = 0.5000-0.2887 0.4082 ( 13792 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6739 -21.6739 -21.6729 -21.6729 -10.5332 -10.5332 -10.0922 -10.0922 -10.0306 -10.0306 -9.9656 -9.9656 -9.9618 -9.9618 -9.9100 -9.9100 -6.3651 -6.3651 -6.3588 -6.3588 -5.5035 -5.5035 -5.4953 -5.4953 -5.4892 -5.4892 -5.4767 -5.4767 -0.5264 -0.5264 0.0801 0.0801 0.2509 0.2509 0.6585 0.6585 0.8361 0.8361 0.8848 0.8848 0.9671 0.9671 1.0079 1.0079 1.2461 1.2461 1.7149 1.7149 2.0511 2.0511 2.1607 2.1607 2.2354 2.2354 2.3439 2.3439 2.5279 2.5279 2.6292 2.6292 2.9654 2.9654 3.3238 3.3238 5.0600 5.0600 5.5543 5.5543 5.9313 5.9313 7.3399 7.3399 8.6092 8.6092 10.1345 10.1345 10.2401 10.2401 10.9678 10.9678 k = 0.5000-0.2887 0.4082 ( 13792 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6739 -21.6739 -21.6729 -21.6729 -10.5332 -10.5332 -10.0922 -10.0922 -10.0306 -10.0306 -9.9656 -9.9656 -9.9618 -9.9618 -9.9100 -9.9100 -6.3651 -6.3651 -6.3588 -6.3588 -5.5035 -5.5035 -5.4953 -5.4953 -5.4892 -5.4892 -5.4767 -5.4767 -0.5264 -0.5264 0.0801 0.0801 0.2509 0.2509 0.6585 0.6585 0.8361 0.8361 0.8848 0.8848 0.9671 0.9671 1.0079 1.0079 1.2461 1.2461 1.7149 1.7149 2.0511 2.0511 2.1607 2.1607 2.2354 2.2354 2.3439 2.3439 2.5279 2.5279 2.6292 2.6292 2.9654 2.9654 3.3238 3.3238 5.0600 5.0600 5.5543 5.5543 5.9313 5.9313 7.3399 7.3399 8.6092 8.6092 10.1345 10.1345 10.2401 10.2401 10.9678 10.9678 k = 0.5000-0.2694 0.4219 ( 13786 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6739 -21.6739 -21.6729 -21.6729 -10.5331 -10.5331 -10.0930 -10.0930 -10.0302 -10.0302 -9.9655 -9.9655 -9.9618 -9.9618 -9.9099 -9.9099 -6.3651 -6.3651 -6.3588 -6.3588 -5.5035 -5.5035 -5.4953 -5.4953 -5.4892 -5.4892 -5.4767 -5.4767 -0.5257 -0.5257 0.0795 0.0795 0.2520 0.2520 0.6549 0.6549 0.8345 0.8345 0.8875 0.8875 0.9689 0.9689 1.0064 1.0064 1.2451 1.2451 1.7173 1.7173 2.0517 2.0517 2.1594 2.1594 2.2342 2.2342 2.3474 2.3474 2.5303 2.5303 2.6277 2.6277 2.9633 2.9633 3.3221 3.3221 5.0617 5.0617 5.5536 5.5536 5.9306 5.9306 7.3425 7.3425 8.6067 8.6067 10.1371 10.1371 10.2425 10.2425 10.9649 10.9676 k = 0.5000-0.2502 0.4355 ( 13790 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6739 -21.6739 -21.6729 -21.6729 -10.5328 -10.5328 -10.0951 -10.0951 -10.0290 -10.0290 -9.9653 -9.9653 -9.9617 -9.9617 -9.9096 -9.9096 -6.3651 -6.3651 -6.3589 -6.3589 -5.5033 -5.5033 -5.4952 -5.4952 -5.4892 -5.4892 -5.4769 -5.4769 -0.5235 -0.5235 0.0776 0.0776 0.2553 0.2553 0.6449 0.6449 0.8297 0.8297 0.8944 0.8944 0.9744 0.9744 1.0020 1.0020 1.2420 1.2420 1.7242 1.7242 2.0533 2.0533 2.1560 2.1560 2.2316 2.2316 2.3565 2.3565 2.5376 2.5376 2.6232 2.6232 2.9572 2.9572 3.3173 3.3173 5.0669 5.0669 5.5515 5.5515 5.9285 5.9285 7.3501 7.3501 8.5990 8.5990 10.1450 10.1450 10.2499 10.2499 10.9667 10.9667 k = 0.5000-0.2309 0.4491 ( 13776 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6739 -21.6739 -21.6729 -21.6729 -10.5323 -10.5323 -10.0983 -10.0983 -10.0272 -10.0272 -9.9648 -9.9648 -9.9617 -9.9617 -9.9091 -9.9091 -6.3650 -6.3650 -6.3590 -6.3590 -5.5030 -5.5030 -5.4952 -5.4952 -5.4893 -5.4893 -5.4773 -5.4773 -0.5199 -0.5199 0.0745 0.0745 0.2608 0.2608 0.6301 0.6301 0.8219 0.8219 0.9037 0.9037 0.9835 0.9835 0.9956 0.9956 1.2369 1.2369 1.7353 1.7353 2.0554 2.0554 2.1512 2.1512 2.2297 2.2297 2.3683 2.3683 2.5501 2.5501 2.6160 2.6160 2.9470 2.9470 3.3092 3.3092 5.0755 5.0755 5.5480 5.5480 5.9251 5.9251 7.3627 7.3627 8.5864 8.5864 10.1579 10.1579 10.2621 10.2621 10.9651 10.9651 k = 0.5000-0.2117 0.4627 ( 13790 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6738 -21.6738 -21.6729 -21.6729 -10.5316 -10.5316 -10.1023 -10.1023 -10.0251 -10.0251 -9.9643 -9.9643 -9.9615 -9.9615 -9.9085 -9.9085 -6.3649 -6.3649 -6.3591 -6.3591 -5.5026 -5.5026 -5.4952 -5.4952 -5.4893 -5.4893 -5.4777 -5.4777 -0.5151 -0.5151 0.0702 0.0702 0.2684 0.2684 0.6124 0.6124 0.8108 0.8108 0.9138 0.9138 0.9874 0.9874 0.9964 0.9964 1.2298 1.2298 1.7498 1.7498 2.0573 2.0573 2.1466 2.1466 2.2299 2.2299 2.3800 2.3800 2.5676 2.5676 2.6068 2.6068 2.9332 2.9332 3.2980 3.2980 5.0872 5.0872 5.5430 5.5430 5.9206 5.9206 7.3799 7.3799 8.5692 8.5692 10.1759 10.1759 10.2791 10.2791 10.9620 10.9620 k = 0.5000-0.1925 0.4763 ( 13790 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6738 -21.6738 -21.6729 -21.6729 -10.5308 -10.5308 -10.1069 -10.1069 -10.0229 -10.0229 -9.9638 -9.9638 -9.9612 -9.9612 -9.9077 -9.9077 -6.3647 -6.3647 -6.3593 -6.3593 -5.5021 -5.5021 -5.4952 -5.4952 -5.4893 -5.4893 -5.4783 -5.4783 -0.5091 -0.5091 0.0647 0.0647 0.2780 0.2780 0.5936 0.5936 0.7963 0.7963 0.9239 0.9239 0.9794 0.9794 1.0112 1.0112 1.2210 1.2210 1.7669 1.7669 2.0581 2.0581 2.1439 2.1439 2.2325 2.2325 2.3901 2.3901 2.5838 2.5838 2.6022 2.6022 2.9160 2.9160 3.2836 3.2836 5.1018 5.1018 5.5364 5.5364 5.9152 5.9152 7.4014 7.4014 8.5477 8.5477 10.1988 10.1988 10.3006 10.3006 10.9568 10.9568 k = 0.5000-0.1732 0.4899 ( 13784 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6738 -21.6738 -21.6730 -21.6730 -10.5299 -10.5299 -10.1117 -10.1117 -10.0208 -10.0208 -9.9633 -9.9633 -9.9608 -9.9608 -9.9068 -9.9068 -6.3645 -6.3645 -6.3594 -6.3594 -5.5015 -5.5015 -5.4951 -5.4951 -5.4893 -5.4893 -5.4790 -5.4790 -0.5021 -0.5021 0.0582 0.0582 0.2896 0.2896 0.5749 0.5749 0.7783 0.7783 0.9339 0.9339 0.9719 0.9719 1.0275 1.0275 1.2107 1.2107 1.7857 1.7857 2.0571 2.0571 2.1444 2.1444 2.2374 2.2374 2.3982 2.3982 2.5758 2.5758 2.6250 2.6250 2.8958 2.8958 3.2662 3.2662 5.1191 5.1191 5.5282 5.5282 5.9091 5.9091 7.4266 7.4266 8.5225 8.5225 10.2264 10.2264 10.3265 10.3265 10.9485 10.9485 k = 0.5000-0.1540 0.5035 ( 13784 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6737 -21.6737 -21.6730 -21.6730 -10.5289 -10.5289 -10.1165 -10.1165 -10.0188 -10.0188 -9.9631 -9.9631 -9.9602 -9.9602 -9.9058 -9.9058 -6.3643 -6.3643 -6.3596 -6.3596 -5.5009 -5.5009 -5.4951 -5.4951 -5.4893 -5.4893 -5.4797 -5.4797 -0.4944 -0.4944 0.0508 0.0508 0.3028 0.3028 0.5571 0.5571 0.7570 0.7570 0.9439 0.9439 0.9653 0.9653 1.0442 1.0442 1.1990 1.1990 1.8052 1.8052 2.0542 2.0542 2.1484 2.1484 2.2446 2.2446 2.4043 2.4043 2.5609 2.5609 2.6574 2.6574 2.8732 2.8732 3.2459 3.2459 5.1386 5.1386 5.5182 5.5182 5.9026 5.9026 7.4549 7.4549 8.4941 8.4941 10.2585 10.2585 10.3564 10.3564 10.9359 10.9359 k = 0.5000-0.1347 0.5171 ( 13776 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6737 -21.6737 -21.6730 -21.6730 -10.5279 -10.5279 -10.1211 -10.1211 -10.0170 -10.0170 -9.9629 -9.9629 -9.9594 -9.9594 -9.9048 -9.9048 -6.3641 -6.3641 -6.3599 -6.3599 -5.5002 -5.5002 -5.4950 -5.4950 -5.4893 -5.4893 -5.4806 -5.4806 -0.4862 -0.4862 0.0427 0.0427 0.3175 0.3175 0.5413 0.5413 0.7331 0.7331 0.9540 0.9540 0.9599 0.9599 1.0603 1.0603 1.1863 1.1863 1.8248 1.8248 2.0501 2.0501 2.1554 2.1554 2.2534 2.2534 2.4088 2.4088 2.5451 2.5451 2.6933 2.6933 2.8487 2.8487 3.2227 3.2227 5.1599 5.1599 5.5065 5.5065 5.8961 5.8961 7.4855 7.4855 8.4635 8.4635 10.2947 10.2947 10.3899 10.3899 10.9181 10.9181 k = 0.5000-0.1155 0.5307 ( 13782 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6737 -21.6737 -21.6731 -21.6731 -10.5269 -10.5269 -10.1255 -10.1255 -10.0155 -10.0155 -9.9628 -9.9628 -9.9586 -9.9586 -9.9037 -9.9037 -6.3639 -6.3639 -6.3601 -6.3601 -5.4994 -5.4994 -5.4950 -5.4950 -5.4893 -5.4893 -5.4815 -5.4815 -0.4779 -0.4779 0.0343 0.0343 0.3333 0.3333 0.5279 0.5279 0.7071 0.7071 0.9553 0.9553 0.9647 0.9647 1.0753 1.0753 1.1730 1.1730 1.8434 1.8434 2.0456 2.0456 2.1648 2.1648 2.2630 2.2630 2.4121 2.4121 2.5296 2.5296 2.7310 2.7310 2.8235 2.8235 3.1969 3.1969 5.1826 5.1826 5.4931 5.4931 5.8898 5.8898 7.5173 7.5173 8.4316 8.4316 10.3348 10.3348 10.4265 10.4265 10.8939 10.8939 k = 0.5000-0.0962 0.5443 ( 13772 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6736 -21.6736 -21.6731 -21.6731 -10.5260 -10.5260 -10.1294 -10.1294 -10.0143 -10.0143 -9.9628 -9.9628 -9.9579 -9.9579 -9.9027 -9.9027 -6.3636 -6.3636 -6.3604 -6.3604 -5.4986 -5.4986 -5.4950 -5.4950 -5.4892 -5.4892 -5.4825 -5.4825 -0.4697 -0.4697 0.0259 0.0259 0.3494 0.3494 0.5179 0.5179 0.6799 0.6799 0.9520 0.9520 0.9753 0.9753 1.0886 1.0886 1.1593 1.1593 1.8604 1.8604 2.0414 2.0414 2.1762 2.1762 2.2718 2.2718 2.4144 2.4144 2.5161 2.5161 2.7664 2.7664 2.8014 2.8014 3.1687 3.1687 5.2061 5.2061 5.4782 5.4782 5.8840 5.8840 7.5491 7.5491 8.3997 8.3997 10.3784 10.3784 10.4654 10.4654 10.8631 10.8631 k = 0.5000-0.0770 0.5579 ( 13768 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6736 -21.6736 -21.6732 -21.6732 -10.5252 -10.5252 -10.1328 -10.1328 -10.0133 -10.0133 -9.9628 -9.9628 -9.9573 -9.9573 -9.9018 -9.9018 -6.3633 -6.3633 -6.3607 -6.3607 -5.4978 -5.4978 -5.4949 -5.4949 -5.4891 -5.4891 -5.4834 -5.4834 -0.4622 -0.4622 0.0181 0.0181 0.3651 0.3651 0.5119 0.5119 0.6521 0.6521 0.9494 0.9494 0.9860 0.9860 1.0998 1.0998 1.1459 1.1459 1.8751 1.8751 2.0377 2.0377 2.1892 2.1892 2.2779 2.2779 2.4159 2.4159 2.5060 2.5060 2.7652 2.7652 2.8170 2.8170 3.1384 3.1384 5.2297 5.2297 5.4621 5.4621 5.8789 5.8789 7.5794 7.5794 8.3693 8.3693 10.4250 10.4250 10.5054 10.5054 10.8257 10.8257 k = 0.5000-0.0577 0.5715 ( 13770 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6735 -21.6735 -21.6732 -21.6732 -10.5245 -10.5245 -10.1355 -10.1355 -10.0125 -10.0125 -9.9628 -9.9628 -9.9567 -9.9567 -9.9011 -9.9011 -6.3630 -6.3630 -6.3610 -6.3610 -5.4971 -5.4971 -5.4950 -5.4950 -5.4888 -5.4888 -5.4844 -5.4844 -0.4558 -0.4558 0.0112 0.0112 0.3791 0.3791 0.5109 0.5109 0.6246 0.6246 0.9476 0.9476 0.9961 0.9961 1.1086 1.1086 1.1335 1.1335 1.8870 1.8870 2.0347 2.0347 2.2037 2.2037 2.2794 2.2794 2.4168 2.4168 2.5004 2.5004 2.7435 2.7435 2.8548 2.8548 3.1066 3.1066 5.2524 5.2524 5.4455 5.4455 5.8747 5.8747 7.6062 7.6062 8.3424 8.3424 10.4742 10.4742 10.5450 10.5450 10.7826 10.7826 k = 0.5000-0.0385 0.5852 ( 13766 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6735 -21.6735 -21.6733 -21.6733 -10.5239 -10.5239 -10.1375 -10.1375 -10.0120 -10.0120 -9.9628 -9.9628 -9.9563 -9.9563 -9.9005 -9.9005 -6.3627 -6.3627 -6.3613 -6.3613 -5.4965 -5.4965 -5.4950 -5.4950 -5.4885 -5.4885 -5.4853 -5.4853 -0.4508 -0.4508 0.0059 0.0059 0.3898 0.3898 0.5158 0.5158 0.5984 0.5984 0.9464 0.9464 1.0049 1.0049 1.1148 1.1148 1.1231 1.1231 1.8957 1.8957 2.0326 2.0326 2.2190 2.2190 2.2756 2.2756 2.4173 2.4173 2.4990 2.4990 2.7243 2.7243 2.8924 2.8924 3.0745 3.0745 5.2725 5.2725 5.4298 5.4298 5.8717 5.8717 7.6277 7.6277 8.3209 8.3209 10.5252 10.5252 10.5809 10.5809 10.7352 10.7352 k = 0.5000-0.0192 0.5988 ( 13764 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6734 -21.6734 -21.6733 -21.6733 -10.5236 -10.5236 -10.1387 -10.1387 -10.0117 -10.0117 -9.9628 -9.9628 -9.9561 -9.9561 -9.9002 -9.9002 -6.3623 -6.3623 -6.3617 -6.3617 -5.4961 -5.4961 -5.4951 -5.4951 -5.4881 -5.4881 -5.4861 -5.4861 -0.4476 -0.4476 0.0025 0.0025 0.3964 0.3964 0.5258 0.5258 0.5754 0.5754 0.9457 0.9457 1.0113 1.0113 1.1144 1.1144 1.1200 1.1200 1.9010 1.9010 2.0313 2.0313 2.2341 2.2341 2.2671 2.2671 2.4175 2.4175 2.4999 2.4999 2.7111 2.7111 2.9248 2.9248 3.0455 3.0455 5.2875 5.2875 5.4176 5.4176 5.8698 5.8698 7.6416 7.6416 8.3070 8.3070 10.5771 10.5771 10.6080 10.6080 10.6851 10.6851 k = 0.5000-0.0000 0.6124 ( 13808 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6734 -21.6734 -21.6734 -21.6734 -10.5235 -10.5235 -10.1391 -10.1391 -10.0116 -10.0116 -9.9628 -9.9628 -9.9560 -9.9560 -9.9001 -9.9001 -6.3621 -6.3621 -6.3619 -6.3619 -5.4959 -5.4959 -5.4952 -5.4952 -5.4879 -5.4879 -5.4865 -5.4865 -0.4466 -0.4466 0.0013 0.0013 0.3986 0.3986 0.5338 0.5338 0.5630 0.5630 0.9454 0.9454 1.0136 1.0136 1.1120 1.1120 1.1210 1.1210 1.9028 1.9028 2.0309 2.0309 2.2435 2.2435 2.2599 2.2599 2.4175 2.4175 2.5007 2.5007 2.7063 2.7063 2.9403 2.9403 3.0312 3.0312 5.2933 5.2933 5.4128 5.4128 5.8692 5.8692 7.6464 7.6464 8.3021 8.3021 10.6174 10.6174 10.6209 10.6209 10.6430 10.6430 k = 0.5000-0.0000 0.6124 ( 13808 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6734 -21.6734 -21.6734 -21.6734 -10.5235 -10.5235 -10.1391 -10.1391 -10.0116 -10.0116 -9.9628 -9.9628 -9.9560 -9.9560 -9.9001 -9.9001 -6.3621 -6.3621 -6.3619 -6.3619 -5.4959 -5.4959 -5.4952 -5.4952 -5.4879 -5.4879 -5.4865 -5.4865 -0.4466 -0.4466 0.0013 0.0013 0.3986 0.3986 0.5338 0.5338 0.5630 0.5630 0.9454 0.9454 1.0136 1.0136 1.1120 1.1120 1.1210 1.1210 1.9028 1.9028 2.0309 2.0309 2.2435 2.2435 2.2599 2.2599 2.4175 2.4175 2.5007 2.5007 2.7063 2.7063 2.9403 2.9403 3.0312 3.0312 5.2933 5.2933 5.4128 5.4128 5.8692 5.8692 7.6464 7.6464 8.3021 8.3021 10.6174 10.6174 10.6209 10.6209 10.6430 10.6430 k = 0.4886 0.0197 0.6124 ( 13756 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6734 -21.6734 -21.6733 -21.6733 -10.5236 -10.5236 -10.1389 -10.1389 -10.0116 -10.0116 -9.9632 -9.9632 -9.9556 -9.9556 -9.9001 -9.9001 -6.3623 -6.3623 -6.3618 -6.3618 -5.4960 -5.4960 -5.4952 -5.4952 -5.4880 -5.4880 -5.4863 -5.4863 -0.4475 -0.4475 0.0023 0.0023 0.3976 0.3976 0.5293 0.5293 0.5696 0.5696 0.9445 0.9445 1.0117 1.0117 1.1075 1.1075 1.1270 1.1270 1.9025 1.9025 2.0315 2.0315 2.2369 2.2369 2.2638 2.2638 2.4191 2.4191 2.5004 2.5004 2.7104 2.7104 2.9326 2.9326 3.0383 3.0383 5.2904 5.2904 5.4149 5.4149 5.8690 5.8690 7.6453 7.6453 8.3042 8.3042 10.5889 10.5889 10.5993 10.5993 10.6777 10.6777 k = 0.4773 0.0394 0.6124 ( 13764 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6734 -21.6734 -21.6733 -21.6733 -10.5240 -10.5240 -10.1384 -10.1384 -10.0115 -10.0115 -9.9642 -9.9642 -9.9545 -9.9545 -9.9002 -9.9002 -6.3625 -6.3625 -6.3617 -6.3617 -5.4963 -5.4963 -5.4954 -5.4954 -5.4882 -5.4882 -5.4859 -5.4859 -0.4502 -0.4502 0.0049 0.0049 0.3947 0.3947 0.5217 0.5217 0.5832 0.5832 0.9417 0.9417 1.0058 1.0058 1.1043 1.1043 1.1352 1.1352 1.9018 1.9018 2.0332 2.0332 2.2259 2.2259 2.2670 2.2670 2.4238 2.4238 2.4986 2.4986 2.7229 2.7229 2.9145 2.9145 3.0544 3.0544 5.2824 5.2824 5.4208 5.4208 5.8684 5.8684 7.6420 7.6420 8.3100 8.3100 10.5495 10.5495 10.5696 10.5696 10.6969 10.6969 k = 0.4659 0.0590 0.6124 ( 13761 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6735 -21.6735 -21.6733 -21.6733 -10.5245 -10.5245 -10.1377 -10.1377 -10.0114 -10.0114 -9.9655 -9.9655 -9.9532 -9.9532 -9.9004 -9.9004 -6.3627 -6.3627 -6.3616 -6.3616 -5.4967 -5.4967 -5.4956 -5.4956 -5.4885 -5.4885 -5.4854 -5.4854 -0.4542 -0.4542 0.0089 0.0089 0.3903 0.3903 0.5150 0.5150 0.5991 0.5991 0.9372 0.9372 0.9967 0.9967 1.1043 1.1043 1.1428 1.1428 1.9009 1.9009 2.0361 2.0361 2.2138 2.2138 2.2674 2.2674 2.4312 2.4312 2.4946 2.4946 2.7423 2.7423 2.8920 2.8920 3.0734 3.0734 5.2708 5.2708 5.4292 5.4292 5.8675 5.8675 7.6368 7.6368 8.3191 8.3191 10.5078 10.5078 10.5401 10.5401 10.6922 10.6922 k = 0.4545 0.0787 0.6124 ( 13764 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6735 -21.6735 -21.6732 -21.6732 -10.5252 -10.5252 -10.1368 -10.1368 -10.0112 -10.0112 -9.9669 -9.9669 -9.9517 -9.9517 -9.9007 -9.9007 -6.3630 -6.3630 -6.3616 -6.3616 -5.4972 -5.4972 -5.4960 -5.4960 -5.4886 -5.4886 -5.4848 -5.4848 -0.4590 -0.4590 0.0140 0.0140 0.3849 0.3849 0.5098 0.5098 0.6159 0.6159 0.9312 0.9312 0.9860 0.9860 1.1067 1.1067 1.1497 1.1497 1.9000 1.9000 2.0401 2.0401 2.2009 2.2009 2.2660 2.2660 2.4395 2.4395 2.4902 2.4902 2.7661 2.7661 2.8681 2.8681 3.0926 3.0926 5.2573 5.2573 5.4387 5.4387 5.8664 5.8664 7.6303 7.6303 8.3305 8.3305 10.4672 10.4672 10.5114 10.5114 10.6758 10.6758 k = 0.4432 0.0984 0.6124 ( 13766 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6735 -21.6735 -21.6732 -21.6732 -10.5258 -10.5258 -10.1358 -10.1358 -10.0110 -10.0110 -9.9682 -9.9682 -9.9503 -9.9503 -9.9009 -9.9009 -6.3632 -6.3632 -6.3616 -6.3616 -5.4977 -5.4977 -5.4963 -5.4963 -5.4888 -5.4888 -5.4843 -5.4843 -0.4642 -0.4642 0.0197 0.0197 0.3792 0.3792 0.5060 0.5060 0.6326 0.6326 0.9240 0.9240 0.9749 0.9749 1.1102 1.1102 1.1557 1.1557 1.8991 1.8991 2.0451 2.0451 2.1873 2.1873 2.2640 2.2640 2.4456 2.4456 2.4889 2.4889 2.7903 2.7903 2.8453 2.8453 3.1104 3.1104 5.2431 5.2431 5.4484 5.4484 5.8651 5.8651 7.6231 7.6231 8.3433 8.3433 10.4294 10.4294 10.4845 10.4845 10.6555 10.6555 k = 0.4318 0.1181 0.6124 ( 13764 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6735 -21.6735 -21.6732 -21.6732 -10.5265 -10.5265 -10.1349 -10.1349 -10.0108 -10.0108 -9.9695 -9.9695 -9.9491 -9.9491 -9.9012 -9.9012 -6.3634 -6.3634 -6.3616 -6.3616 -5.4981 -5.4981 -5.4967 -5.4967 -5.4889 -5.4889 -5.4838 -5.4838 -0.4694 -0.4694 0.0256 0.0256 0.3736 0.3736 0.5032 0.5032 0.6488 0.6488 0.9161 0.9161 0.9644 0.9644 1.1140 1.1140 1.1608 1.1608 1.8985 1.8985 2.0513 2.0513 2.1734 2.1734 2.2622 2.2622 2.4459 2.4459 2.4944 2.4944 2.8029 2.8029 2.8341 2.8341 3.1264 3.1264 5.2293 5.2293 5.4575 5.4575 5.8638 5.8638 7.6157 7.6157 8.3564 8.3564 10.3958 10.3958 10.4603 10.4603 10.6349 10.6349 k = 0.4205 0.1378 0.6124 ( 13763 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6736 -21.6736 -21.6732 -21.6732 -10.5271 -10.5271 -10.1340 -10.1340 -10.0105 -10.0105 -9.9706 -9.9706 -9.9479 -9.9479 -9.9015 -9.9015 -6.3635 -6.3635 -6.3616 -6.3616 -5.4986 -5.4986 -5.4970 -5.4970 -5.4889 -5.4889 -5.4835 -5.4835 -0.4742 -0.4742 0.0311 0.0311 0.3686 0.3686 0.5011 0.5011 0.6636 0.6636 0.9082 0.9082 0.9551 0.9551 1.1175 1.1175 1.1650 1.1650 1.8981 1.8981 2.0583 2.0583 2.1593 2.1593 2.2609 2.2609 2.4415 2.4415 2.5057 2.5057 2.7884 2.7884 2.8490 2.8490 3.1399 3.1399 5.2169 5.2169 5.4655 5.4655 5.8625 5.8625 7.6088 7.6088 8.3688 8.3688 10.3672 10.3672 10.4395 10.4395 10.6162 10.6162 k = 0.4091 0.1575 0.6124 ( 13761 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6736 -21.6736 -21.6732 -21.6732 -10.5276 -10.5276 -10.1332 -10.1332 -10.0103 -10.0103 -9.9715 -9.9715 -9.9470 -9.9470 -9.9018 -9.9018 -6.3637 -6.3637 -6.3616 -6.3616 -5.4989 -5.4989 -5.4973 -5.4973 -5.4890 -5.4890 -5.4831 -5.4831 -0.4783 -0.4783 0.0360 0.0360 0.3643 0.3643 0.4997 0.4997 0.6764 0.6764 0.9011 0.9011 0.9473 0.9473 1.1205 1.1205 1.1682 1.1682 1.8978 1.8978 2.0662 2.0662 2.1455 2.1455 2.2601 2.2601 2.4359 2.4359 2.5188 2.5188 2.7690 2.7690 2.8672 2.8672 3.1508 3.1508 5.2064 5.2064 5.4721 5.4721 5.8614 5.8614 7.6029 7.6029 8.3795 8.3795 10.3444 10.3444 10.4228 10.4228 10.6005 10.6005 k = 0.3977 0.1771 0.6124 ( 13765 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6736 -21.6736 -21.6732 -21.6732 -10.5280 -10.5280 -10.1326 -10.1326 -10.0102 -10.0102 -9.9722 -9.9722 -9.9463 -9.9463 -9.9020 -9.9020 -6.3638 -6.3638 -6.3616 -6.3616 -5.4992 -5.4992 -5.4975 -5.4975 -5.4890 -5.4890 -5.4829 -5.4829 -0.4813 -0.4813 0.0397 0.0397 0.3612 0.3612 0.4987 0.4987 0.6863 0.6863 0.8954 0.8954 0.9414 0.9414 1.1228 1.1228 1.1706 1.1706 1.8977 1.8977 2.0746 2.0746 2.1326 2.1326 2.2598 2.2598 2.4310 2.4310 2.5310 2.5310 2.7523 2.7523 2.8815 2.8815 3.1587 3.1587 5.1985 5.1985 5.4770 5.4770 5.8606 5.8606 7.5984 7.5984 8.3877 8.3877 10.3278 10.3278 10.4105 10.4105 10.5889 10.5889 k = 0.3864 0.1968 0.6124 ( 13757 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6736 -21.6736 -21.6732 -21.6732 -10.5283 -10.5283 -10.1323 -10.1323 -10.0101 -10.0101 -9.9726 -9.9726 -9.9459 -9.9459 -9.9021 -9.9021 -6.3638 -6.3638 -6.3616 -6.3616 -5.4993 -5.4993 -5.4976 -5.4976 -5.4890 -5.4890 -5.4828 -5.4828 -0.4832 -0.4832 0.0421 0.0421 0.3593 0.3593 0.4981 0.4981 0.6927 0.6927 0.8916 0.8916 0.9376 0.9376 1.1242 1.1242 1.1720 1.1720 1.8977 1.8977 2.0825 2.0825 2.1220 2.1220 2.2597 2.2597 2.4278 2.4278 2.5398 2.5398 2.7409 2.7409 2.8905 2.8905 3.1636 3.1636 5.1936 5.1936 5.4800 5.4800 5.8600 5.8600 7.5956 7.5956 8.3929 8.3929 10.3176 10.3176 10.4029 10.4029 10.5817 10.5817 k = 0.3750 0.2165 0.6124 ( 13766 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6736 -21.6736 -21.6732 -21.6732 -10.5283 -10.5283 -10.1322 -10.1322 -10.0100 -10.0100 -9.9727 -9.9727 -9.9457 -9.9457 -9.9022 -9.9022 -6.3638 -6.3638 -6.3616 -6.3616 -5.4994 -5.4994 -5.4977 -5.4977 -5.4890 -5.4890 -5.4827 -5.4827 -0.4839 -0.4839 0.0429 0.0429 0.3586 0.3586 0.4979 0.4979 0.6949 0.6949 0.8903 0.8903 0.9364 0.9364 1.1247 1.1247 1.1724 1.1724 1.8976 1.8976 2.0863 2.0863 2.1173 2.1173 2.2596 2.2596 2.4266 2.4266 2.5430 2.5430 2.7368 2.7368 2.8936 2.8936 3.1652 3.1652 5.1919 5.1919 5.4810 5.4810 5.8598 5.8598 7.5946 7.5946 8.3947 8.3947 10.3143 10.3143 10.4004 10.4004 10.5793 10.5793 k = 0.3750 0.2165 0.6124 ( 13766 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6736 -21.6736 -21.6732 -21.6732 -10.5283 -10.5283 -10.1322 -10.1322 -10.0100 -10.0100 -9.9727 -9.9727 -9.9457 -9.9457 -9.9022 -9.9022 -6.3638 -6.3638 -6.3616 -6.3616 -5.4994 -5.4994 -5.4977 -5.4977 -5.4890 -5.4890 -5.4827 -5.4827 -0.4839 -0.4839 0.0429 0.0429 0.3586 0.3586 0.4979 0.4979 0.6949 0.6949 0.8903 0.8903 0.9364 0.9364 1.1247 1.1247 1.1724 1.1724 1.8976 1.8976 2.0863 2.0863 2.1173 2.1173 2.2596 2.2596 2.4266 2.4266 2.5430 2.5430 2.7368 2.7368 2.8936 2.8936 3.1652 3.1652 5.1919 5.1919 5.4810 5.4810 5.8598 5.8598 7.5946 7.5946 8.3947 8.3947 10.3143 10.3143 10.4004 10.4004 10.5793 10.5793 k = 0.3633 0.2097 0.5932 ( 13750 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6735 -21.6735 -21.6732 -21.6732 -10.5288 -10.5288 -10.1350 -10.1350 -10.0080 -10.0080 -9.9741 -9.9741 -9.9433 -9.9433 -9.9011 -9.9011 -6.3637 -6.3637 -6.3624 -6.3624 -5.4991 -5.4991 -5.4987 -5.4987 -5.4888 -5.4888 -5.4837 -5.4837 -0.4843 -0.4843 0.0429 0.0429 0.3697 0.3697 0.4930 0.4930 0.6744 0.6744 0.8773 0.8773 0.9349 0.9349 1.1126 1.1126 1.1890 1.1890 1.9209 1.9209 2.0840 2.0840 2.1170 2.1170 2.2723 2.2723 2.4034 2.4034 2.5691 2.5691 2.7681 2.7681 2.8961 2.8961 3.1395 3.1395 5.2071 5.2071 5.4677 5.4677 5.8476 5.8476 7.6375 7.6375 8.3657 8.3657 10.3251 10.3251 10.3529 10.3529 10.5789 10.5789 k = 0.3516 0.2030 0.5741 ( 13762 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6735 -21.6735 -21.6733 -21.6733 -10.5298 -10.5298 -10.1370 -10.1370 -10.0061 -10.0061 -9.9754 -9.9754 -9.9409 -9.9409 -9.9001 -9.9001 -6.3636 -6.3636 -6.3632 -6.3632 -5.5001 -5.5001 -5.4988 -5.4988 -5.4886 -5.4886 -5.4846 -5.4846 -0.4875 -0.4875 0.0453 0.0453 0.3752 0.3752 0.4958 0.4958 0.6545 0.6545 0.8639 0.8639 0.9333 0.9333 1.0961 1.0961 1.2075 1.2075 1.9435 1.9435 2.0809 2.0809 2.1114 2.1114 2.2874 2.2874 2.3897 2.3897 2.5954 2.5954 2.7997 2.7997 2.9007 2.9007 3.1136 3.1136 5.2210 5.2210 5.4535 5.4535 5.8348 5.8348 7.6820 7.6820 8.3377 8.3377 10.2805 10.2805 10.3299 10.3299 10.5982 10.5982 k = 0.3398 0.1962 0.5550 ( 13753 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6734 -21.6734 -21.6733 -21.6733 -10.5313 -10.5313 -10.1381 -10.1381 -10.0042 -10.0042 -9.9767 -9.9767 -9.9386 -9.9386 -9.8992 -9.8992 -6.3642 -6.3642 -6.3636 -6.3636 -5.5016 -5.5016 -5.4988 -5.4988 -5.4883 -5.4883 -5.4856 -5.4856 -0.4937 -0.4937 0.0502 0.0502 0.3749 0.3749 0.5055 0.5055 0.6362 0.6362 0.8506 0.8506 0.9312 0.9312 1.0781 1.0781 1.2248 1.2248 1.9646 1.9646 2.0732 2.0732 2.1043 2.1043 2.3046 2.3046 2.3877 2.3877 2.6218 2.6218 2.8314 2.8314 2.9070 2.9070 3.0881 3.0881 5.2333 5.2333 5.4386 5.4386 5.8215 5.8215 7.7276 7.7276 8.3112 8.3112 10.1970 10.1970 10.3279 10.3279 10.6221 10.6221 k = 0.3281 0.1894 0.5358 ( 13757 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6734 -21.6734 -21.6733 -21.6733 -10.5334 -10.5334 -10.1383 -10.1383 -10.0023 -10.0023 -9.9779 -9.9779 -9.9364 -9.9364 -9.8984 -9.8984 -6.3653 -6.3653 -6.3636 -6.3636 -5.5034 -5.5034 -5.4988 -5.4988 -5.4882 -5.4882 -5.4866 -5.4866 -0.5033 -0.5033 0.0578 0.0578 0.3704 0.3704 0.5189 0.5189 0.6208 0.6208 0.8377 0.8377 0.9288 0.9288 1.0594 1.0594 1.2398 1.2398 1.9827 1.9827 2.0576 2.0576 2.1025 2.1025 2.3235 2.3235 2.3968 2.3968 2.6479 2.6479 2.8627 2.8627 2.9152 2.9152 3.0636 3.0636 5.2436 5.2436 5.4232 5.4232 5.8079 5.8079 7.7741 7.7741 8.2866 8.2866 10.1077 10.1077 10.3187 10.3187 10.6428 10.6428 k = 0.3164 0.1827 0.5167 ( 13763 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6735 -21.6735 -21.6733 -21.6733 -10.5361 -10.5361 -10.1374 -10.1374 -10.0003 -10.0003 -9.9791 -9.9791 -9.9343 -9.9343 -9.8976 -9.8976 -6.3665 -6.3665 -6.3636 -6.3636 -5.5053 -5.5053 -5.4989 -5.4989 -5.4888 -5.4888 -5.4871 -5.4871 -0.5160 -0.5160 0.0680 0.0680 0.3640 0.3640 0.5303 0.5303 0.6111 0.6111 0.8256 0.8256 0.9258 0.9258 1.0405 1.0405 1.2522 1.2522 1.9903 1.9903 2.0448 2.0448 2.1058 2.1058 2.3438 2.3438 2.4148 2.4148 2.6735 2.6735 2.8927 2.8927 2.9255 2.9255 3.0411 3.0411 5.2519 5.2519 5.4074 5.4074 5.7941 5.7941 7.8210 7.8210 8.2643 8.2643 10.0149 10.0149 10.3023 10.3023 10.6532 10.6532 k = 0.3047 0.1759 0.4976 ( 13753 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6735 -21.6735 -21.6732 -21.6732 -10.5396 -10.5396 -10.1354 -10.1354 -9.9984 -9.9984 -9.9803 -9.9803 -9.9324 -9.9324 -9.8969 -9.8969 -6.3678 -6.3678 -6.3637 -6.3637 -5.5074 -5.5074 -5.4991 -5.4991 -5.4901 -5.4901 -5.4870 -5.4870 -0.5318 -0.5318 0.0808 0.0808 0.3571 0.3571 0.5338 0.5338 0.6107 0.6107 0.8147 0.8147 0.9224 0.9224 1.0214 1.0214 1.2617 1.2617 1.9771 1.9771 2.0506 2.0506 2.1123 2.1123 2.3654 2.3654 2.4392 2.4392 2.6979 2.6979 2.9187 2.9187 2.9398 2.9398 3.0221 3.0221 5.2579 5.2579 5.3913 5.3913 5.7800 5.7800 7.8680 7.8680 8.2446 8.2446 9.9196 9.9196 10.2789 10.2789 10.6421 10.6421 k = 0.2930 0.1691 0.4784 ( 13749 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6736 -21.6736 -21.6731 -21.6731 -10.5436 -10.5436 -10.1324 -10.1324 -9.9963 -9.9963 -9.9813 -9.9813 -9.9306 -9.9306 -9.8964 -9.8964 -6.3693 -6.3693 -6.3639 -6.3639 -5.5097 -5.5097 -5.4994 -5.4994 -5.4917 -5.4917 -5.4869 -5.4869 -0.5505 -0.5505 0.0957 0.0957 0.3506 0.3506 0.5284 0.5284 0.6186 0.6186 0.8056 0.8056 0.9185 0.9185 1.0025 1.0025 1.2679 1.2679 1.9543 1.9543 2.0671 2.0671 2.1213 2.1213 2.3882 2.3882 2.4678 2.4678 2.7205 2.7205 2.9368 2.9368 2.9599 2.9599 3.0095 3.0095 5.2613 5.2613 5.3751 5.3751 5.7658 5.7658 7.9149 7.9149 8.2277 8.2277 9.8226 9.8226 10.2487 10.2487 10.6021 10.6021 k = 0.2812 0.1624 0.4593 ( 13759 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6737 -21.6737 -21.6731 -21.6731 -10.5483 -10.5483 -10.1285 -10.1285 -9.9943 -9.9943 -9.9822 -9.9822 -9.9289 -9.9289 -9.8960 -9.8960 -6.3710 -6.3710 -6.3641 -6.3641 -5.5120 -5.5120 -5.4998 -5.4998 -5.4936 -5.4936 -5.4869 -5.4869 -0.5718 -0.5718 0.1127 0.1127 0.3450 0.3450 0.5184 0.5184 0.6289 0.6289 0.7987 0.7987 0.9142 0.9142 0.9839 0.9839 1.2710 1.2710 1.9323 1.9323 2.0860 2.0860 2.1325 2.1325 2.4120 2.4120 2.4991 2.4991 2.7405 2.7405 2.9506 2.9506 2.9742 2.9742 3.0122 3.0122 5.2622 5.2622 5.3590 5.3590 5.7514 5.7514 7.9613 7.9613 8.2140 8.2140 9.7243 9.7243 10.2122 10.2122 10.5449 10.5449 k = 0.2695 0.1556 0.4401 ( 13773 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6738 -21.6738 -21.6730 -21.6730 -10.5535 -10.5535 -10.1236 -10.1236 -9.9922 -9.9922 -9.9830 -9.9830 -9.9274 -9.9274 -9.8957 -9.8957 -6.3727 -6.3727 -6.3644 -6.3644 -5.5145 -5.5145 -5.5003 -5.5003 -5.4957 -5.4957 -5.4870 -5.4870 -0.5952 -0.5952 0.1314 0.1314 0.3405 0.3405 0.5072 0.5072 0.6369 0.6369 0.7944 0.7944 0.9095 0.9095 0.9657 0.9657 1.2708 1.2708 1.9148 1.9148 2.1054 2.1054 2.1460 2.1460 2.4364 2.4364 2.5321 2.5321 2.7572 2.7572 2.9637 2.9637 2.9774 2.9774 3.0334 3.0334 5.2604 5.2604 5.3433 5.3433 5.7370 5.7370 8.0071 8.0071 8.2035 8.2035 9.6253 9.6253 10.1700 10.1700 10.4808 10.4808 k = 0.2578 0.1488 0.4210 ( 13783 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6739 -21.6739 -21.6729 -21.6729 -10.5592 -10.5592 -10.1179 -10.1179 -9.9900 -9.9900 -9.9837 -9.9837 -9.9259 -9.9259 -9.8955 -9.8955 -6.3746 -6.3746 -6.3648 -6.3648 -5.5171 -5.5171 -5.5008 -5.5008 -5.4979 -5.4979 -5.4872 -5.4872 -0.6206 -0.6206 0.1515 0.1515 0.3374 0.3374 0.4961 0.4961 0.6405 0.6405 0.7922 0.7922 0.9044 0.9044 0.9482 0.9482 1.2675 1.2675 1.9037 1.9037 2.1245 2.1245 2.1618 2.1618 2.4605 2.4605 2.5660 2.5660 2.7706 2.7706 2.9761 2.9761 2.9828 2.9828 3.0602 3.0602 5.2558 5.2558 5.3280 5.3280 5.7224 5.7224 8.0520 8.0520 8.1965 8.1965 9.5260 9.5260 10.1227 10.1227 10.4134 10.4134 k = 0.2461 0.1421 0.4019 ( 13779 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6739 -21.6739 -21.6729 -21.6729 -10.5654 -10.5654 -10.1115 -10.1115 -9.9879 -9.9879 -9.9841 -9.9841 -9.9246 -9.9246 -9.8955 -9.8955 -6.3766 -6.3766 -6.3652 -6.3652 -5.5197 -5.5197 -5.5017 -5.5017 -5.5001 -5.5001 -5.4875 -5.4875 -0.6474 -0.6474 0.1727 0.1727 0.3358 0.3358 0.4859 0.4859 0.6396 0.6396 0.7908 0.7908 0.8985 0.8985 0.9318 0.9318 1.2611 1.2611 1.9001 1.9001 2.1431 2.1431 2.1797 2.1797 2.4835 2.4835 2.6003 2.6003 2.7815 2.7815 2.9875 2.9875 2.9954 2.9954 3.0878 3.0878 5.2485 5.2485 5.3133 5.3133 5.7077 5.7077 8.0959 8.0959 8.1930 8.1930 9.4266 9.4266 10.0710 10.0710 10.3372 10.3372 k = 0.2344 0.1353 0.3827 ( 13771 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6740 -21.6740 -21.6728 -21.6728 -10.5718 -10.5718 -10.1044 -10.1044 -9.9860 -9.9860 -9.9840 -9.9840 -9.9234 -9.9234 -9.8956 -9.8956 -6.3787 -6.3787 -6.3657 -6.3657 -5.5224 -5.5224 -5.5039 -5.5039 -5.5012 -5.5012 -5.4881 -5.4881 -0.6755 -0.6755 0.1948 0.1948 0.3357 0.3357 0.4769 0.4769 0.6350 0.6350 0.7887 0.7887 0.8912 0.8912 0.9171 0.9171 1.2518 1.2518 1.9044 1.9044 2.1615 2.1615 2.1993 2.1993 2.5042 2.5042 2.6347 2.6347 2.7918 2.7918 3.0006 3.0006 3.0124 3.0124 3.1151 3.1151 5.2388 5.2388 5.2992 5.2992 5.6929 5.6929 8.1385 8.1385 8.1931 8.1931 9.3275 9.3275 10.0158 10.0158 10.2494 10.2494 k = 0.2227 0.1286 0.3636 ( 13781 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6741 -21.6741 -21.6727 -21.6727 -10.5786 -10.5786 -10.0969 -10.0969 -9.9854 -9.9854 -9.9825 -9.9825 -9.9224 -9.9224 -9.8958 -9.8958 -6.3809 -6.3809 -6.3663 -6.3663 -5.5251 -5.5251 -5.5068 -5.5068 -5.5018 -5.5018 -5.4887 -5.4887 -0.7044 -0.7044 0.2175 0.2175 0.3373 0.3373 0.4692 0.4692 0.6279 0.6279 0.7846 0.7846 0.8817 0.8817 0.9052 0.9052 1.2397 1.2397 1.9168 1.9168 2.1797 2.1797 2.2202 2.2202 2.5217 2.5217 2.6688 2.6688 2.8039 2.8039 3.0150 3.0150 3.0331 3.0331 3.1417 3.1417 5.2270 5.2270 5.2854 5.2854 5.6778 5.6778 8.1799 8.1799 8.1969 8.1969 9.2291 9.2291 9.9578 9.9578 10.1637 10.1637 k = 0.2109 0.1218 0.3445 ( 13765 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6742 -21.6742 -21.6727 -21.6727 -10.5855 -10.5855 -10.0889 -10.0889 -9.9853 -9.9853 -9.9803 -9.9803 -9.9214 -9.9214 -9.8962 -9.8962 -6.3832 -6.3832 -6.3669 -6.3669 -5.5277 -5.5277 -5.5100 -5.5100 -5.5024 -5.5024 -5.4896 -5.4896 -0.7339 -0.7339 0.2405 0.2405 0.3405 0.3405 0.4629 0.4629 0.6193 0.6193 0.7781 0.7781 0.8696 0.8696 0.8959 0.8959 1.2248 1.2248 1.9369 1.9369 2.1981 2.1981 2.2420 2.2420 2.5351 2.5351 2.7027 2.7027 2.8193 2.8193 3.0296 3.0296 3.0569 3.0569 3.1676 3.1676 5.2139 5.2139 5.2715 5.2715 5.6625 5.6625 8.2043 8.2043 8.2198 8.2198 9.1317 9.1317 9.8977 9.8977 10.0811 10.0811 k = 0.1992 0.1150 0.3253 ( 13813 PWs) bands (ev): -69.7036 -69.7036 -41.1099 -41.1099 -31.3406 -31.3406 -31.3406 -31.3406 -21.6743 -21.6743 -21.6726 -21.6726 -10.5925 -10.5925 -10.0808 -10.0808 -9.9851 -9.9851 -9.9779 -9.9779 -9.9205 -9.9205 -9.8967 -9.8967 -6.3856 -6.3856 -6.3676 -6.3676 -5.5304 -5.5304 -5.5134 -5.5134 -5.5029 -5.5029 -5.4905 -5.4905 -0.7636 -0.7636 0.2635 0.2635 0.3455 0.3455 0.4581 0.4581 0.6098 0.6098 0.7691 0.7691 0.8564 0.8564 0.8882 0.8882 1.2072 1.2072 1.9636 1.9636 2.2167 2.2167 2.2645 2.2645 2.5445 2.5445 2.7364 2.7364 2.8386 2.8386 3.0443 3.0443 3.0830 3.0830 3.1925 3.1925 5.1998 5.1998 5.2574 5.2574 5.6470 5.6470 8.2152 8.2152 8.2582 8.2582 9.0357 9.0357 9.8363 9.8363 10.0017 10.0017 k = 0.1875 0.1083 0.3062 ( 13801 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6743 -21.6743 -21.6725 -21.6725 -10.5996 -10.5996 -10.0726 -10.0726 -9.9846 -9.9846 -9.9753 -9.9753 -9.9197 -9.9197 -9.8974 -9.8974 -6.3880 -6.3880 -6.3684 -6.3684 -5.5331 -5.5331 -5.5169 -5.5169 -5.5034 -5.5034 -5.4916 -5.4916 -0.7934 -0.7934 0.2861 0.2861 0.3522 0.3522 0.4548 0.4548 0.5999 0.5999 0.7579 0.7579 0.8429 0.8429 0.8807 0.8807 1.1871 1.1871 1.9960 1.9960 2.2353 2.2353 2.2876 2.2876 2.5505 2.5505 2.7699 2.7699 2.8615 2.8615 3.0590 3.0590 3.1106 3.1106 3.2165 3.2165 5.1853 5.1853 5.2428 5.2428 5.6312 5.6312 8.2296 8.2296 8.2948 8.2948 8.9416 8.9416 9.7742 9.7742 9.9133 9.9133 k = 0.1758 0.1015 0.2870 ( 13781 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6744 -21.6744 -21.6725 -21.6725 -10.6065 -10.6065 -10.0645 -10.0645 -9.9839 -9.9839 -9.9728 -9.9728 -9.9190 -9.9190 -9.8981 -9.8981 -6.3904 -6.3904 -6.3692 -6.3692 -5.5356 -5.5356 -5.5205 -5.5205 -5.5040 -5.5040 -5.4929 -5.4929 -0.8228 -0.8228 0.3078 0.3078 0.3605 0.3605 0.4532 0.4532 0.5902 0.5902 0.7452 0.7452 0.8296 0.8296 0.8731 0.8731 1.1645 1.1645 2.0326 2.0326 2.2538 2.2538 2.3111 2.3111 2.5541 2.5541 2.8035 2.8035 2.8870 2.8870 3.0737 3.0737 3.1391 3.1391 3.2395 3.2395 5.1707 5.1707 5.2277 5.2277 5.6150 5.6150 8.2473 8.2473 8.3297 8.3297 8.8497 8.8497 9.7122 9.7122 9.8158 9.8158 k = 0.1641 0.0947 0.2679 ( 13787 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6745 -21.6745 -21.6724 -21.6724 -10.6134 -10.6134 -10.0566 -10.0566 -9.9828 -9.9828 -9.9702 -9.9702 -9.9184 -9.9184 -9.8990 -9.8990 -6.3928 -6.3928 -6.3700 -6.3700 -5.5382 -5.5382 -5.5242 -5.5242 -5.5045 -5.5045 -5.4942 -5.4942 -0.8517 -0.8517 0.3282 0.3282 0.3705 0.3705 0.4537 0.4537 0.5810 0.5810 0.7315 0.7315 0.8169 0.8169 0.8653 0.8653 1.1397 1.1397 2.0718 2.0718 2.2720 2.2720 2.3350 2.3350 2.5561 2.5561 2.8373 2.8373 2.9141 2.9141 3.0881 3.0881 3.1680 3.1680 3.2614 3.2614 5.1562 5.1562 5.2120 5.2120 5.5987 5.5987 8.2682 8.2682 8.3625 8.3625 8.7605 8.7605 9.6509 9.6509 9.7210 9.7210 k = 0.1523 0.0880 0.2488 ( 13803 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6746 -21.6746 -21.6723 -21.6723 -10.6200 -10.6200 -10.0492 -10.0492 -9.9814 -9.9814 -9.9676 -9.9676 -9.9179 -9.9179 -9.9000 -9.9000 -6.3952 -6.3952 -6.3708 -6.3708 -5.5406 -5.5406 -5.5279 -5.5279 -5.5049 -5.5049 -5.4956 -5.4956 -0.8799 -0.8799 0.3467 0.3467 0.3815 0.3815 0.4566 0.4566 0.5727 0.5727 0.7176 0.7176 0.8047 0.8047 0.8570 0.8570 1.1130 1.1130 2.1122 2.1122 2.2895 2.2895 2.3593 2.3593 2.5577 2.5577 2.8714 2.8714 2.9417 2.9417 3.1024 3.1024 3.1969 3.1969 3.2823 3.2823 5.1421 5.1421 5.1960 5.1960 5.5821 5.5821 8.2919 8.2919 8.3928 8.3928 8.6750 8.6750 9.5909 9.5909 9.6299 9.6299 k = 0.1406 0.0812 0.2296 ( 13785 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6746 -21.6746 -21.6723 -21.6723 -10.6264 -10.6264 -10.0422 -10.0422 -9.9795 -9.9795 -9.9650 -9.9650 -9.9174 -9.9174 -9.9011 -9.9011 -6.3975 -6.3975 -6.3716 -6.3716 -5.5429 -5.5429 -5.5316 -5.5316 -5.5054 -5.5054 -5.4970 -5.4970 -0.9069 -0.9069 0.3632 0.3632 0.3923 0.3923 0.4628 0.4628 0.5657 0.5657 0.7039 0.7039 0.7931 0.7931 0.8483 0.8483 1.0845 1.0845 2.1521 2.1521 2.3060 2.3060 2.3842 2.3842 2.5593 2.5593 2.9057 2.9057 2.9690 2.9690 3.1163 3.1163 3.2254 3.2254 3.3021 3.3021 5.1284 5.1284 5.1795 5.1795 5.5655 5.5655 8.3182 8.3182 8.4194 8.4194 8.5947 8.5947 9.5327 9.5327 9.5431 9.5431 k = 0.1289 0.0744 0.2105 ( 13791 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6747 -21.6747 -21.6722 -21.6722 -10.6324 -10.6324 -10.0360 -10.0360 -9.9772 -9.9772 -9.9624 -9.9624 -9.9170 -9.9170 -9.9024 -9.9024 -6.3998 -6.3998 -6.3724 -6.3724 -5.5451 -5.5451 -5.5351 -5.5351 -5.5059 -5.5059 -5.4984 -5.4984 -0.9327 -0.9327 0.3781 0.3781 0.4015 0.4015 0.4726 0.4726 0.5605 0.5605 0.6908 0.6908 0.7823 0.7823 0.8393 0.8393 1.0546 1.0546 2.1904 2.1904 2.3211 2.3211 2.4097 2.4097 2.5615 2.5615 2.9402 2.9402 2.9954 2.9954 3.1297 3.1297 3.2532 3.2532 3.3207 3.3207 5.1154 5.1154 5.1630 5.1630 5.5489 5.5489 8.3467 8.3467 8.4358 8.4358 8.5264 8.5264 9.4608 9.4608 9.4772 9.4772 k = 0.1172 0.0677 0.1914 ( 13787 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6748 -21.6748 -21.6722 -21.6722 -10.6381 -10.6381 -10.0306 -10.0306 -9.9743 -9.9743 -9.9599 -9.9599 -9.9168 -9.9168 -9.9037 -9.9037 -6.4020 -6.4020 -6.3732 -6.3732 -5.5472 -5.5472 -5.5386 -5.5386 -5.5063 -5.5063 -5.4999 -5.4999 -0.9571 -0.9571 0.3913 0.3913 0.4083 0.4083 0.4857 0.4857 0.5581 0.5581 0.6788 0.6788 0.7721 0.7721 0.8298 0.8298 1.0235 1.0235 2.2258 2.2258 2.3346 2.3346 2.4355 2.4355 2.5646 2.5646 2.9748 2.9748 3.0204 3.0204 3.1425 3.1425 3.2801 3.2801 3.3382 3.3382 5.1031 5.1031 5.1464 5.1464 5.5325 5.5325 8.3769 8.3769 8.4108 8.4108 8.5018 8.5018 9.3842 9.3842 9.4243 9.4243 k = 0.1055 0.0609 0.1722 ( 13777 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6748 -21.6748 -21.6721 -21.6721 -10.6434 -10.6434 -10.0260 -10.0260 -9.9709 -9.9709 -9.9574 -9.9574 -9.9166 -9.9166 -9.9052 -9.9052 -6.4040 -6.4040 -6.3740 -6.3740 -5.5491 -5.5491 -5.5419 -5.5419 -5.5067 -5.5067 -5.5013 -5.5013 -0.9797 -0.9797 0.4028 0.4028 0.4131 0.4131 0.5008 0.5008 0.5595 0.5595 0.6680 0.6680 0.7626 0.7626 0.8198 0.8198 0.9916 0.9916 2.2576 2.2576 2.3462 2.3462 2.4615 2.4615 2.5685 2.5685 3.0092 3.0092 3.0437 3.0437 3.1546 3.1546 3.3056 3.3056 3.3544 3.3544 5.0917 5.0917 5.1300 5.1300 5.5166 5.5166 8.3508 8.3508 8.4085 8.4085 8.5147 8.5147 9.3135 9.3135 9.3749 9.3749 k = 0.0938 0.0541 0.1531 ( 13787 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6749 -21.6749 -21.6721 -21.6721 -10.6482 -10.6482 -10.0223 -10.0223 -9.9672 -9.9672 -9.9550 -9.9550 -9.9165 -9.9165 -9.9067 -9.9067 -6.4059 -6.4059 -6.3747 -6.3747 -5.5509 -5.5509 -5.5450 -5.5450 -5.5070 -5.5070 -5.5026 -5.5026 -1.0005 -1.0005 0.4120 0.4120 0.4164 0.4164 0.5166 0.5166 0.5655 0.5655 0.6586 0.6586 0.7540 0.7540 0.8094 0.8094 0.9590 0.9590 2.2856 2.2856 2.3558 2.3558 2.4871 2.4871 2.5732 2.5732 3.0430 3.0430 3.0652 3.0652 3.1658 3.1658 3.3295 3.3295 3.3692 3.3692 5.0811 5.0811 5.1141 5.1141 5.5013 5.5013 8.2888 8.2888 8.4405 8.4405 8.5329 8.5329 9.2491 9.2491 9.3293 9.3293 k = 0.0820 0.0474 0.1340 ( 13791 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6749 -21.6749 -21.6721 -21.6721 -10.6526 -10.6526 -10.0193 -10.0193 -9.9632 -9.9632 -9.9528 -9.9528 -9.9164 -9.9164 -9.9083 -9.9083 -6.4077 -6.4077 -6.3754 -6.3754 -5.5525 -5.5525 -5.5478 -5.5478 -5.5073 -5.5073 -5.5038 -5.5038 -1.0193 -1.0193 0.4178 0.4178 0.4194 0.4194 0.5328 0.5328 0.5762 0.5762 0.6507 0.6507 0.7461 0.7461 0.7985 0.7985 0.9261 0.9261 2.3096 2.3096 2.3636 2.3636 2.5115 2.5115 2.5785 2.5785 3.0748 3.0748 3.0853 3.0853 3.1760 3.1760 3.3515 3.3515 3.3827 3.3827 5.0716 5.0716 5.0988 5.0988 5.4870 5.4870 8.2310 8.2310 8.4723 8.4723 8.5504 8.5504 9.1916 9.1916 9.2880 9.2880 k = 0.0703 0.0406 0.1148 ( 13791 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6749 -21.6749 -21.6720 -21.6720 -10.6564 -10.6564 -10.0169 -10.0169 -9.9592 -9.9592 -9.9506 -9.9506 -9.9165 -9.9165 -9.9099 -9.9099 -6.4092 -6.4092 -6.3760 -6.3760 -5.5539 -5.5539 -5.5504 -5.5504 -5.5076 -5.5076 -5.5050 -5.5050 -1.0359 -1.0359 0.4199 0.4199 0.4229 0.4229 0.5502 0.5502 0.5904 0.5904 0.6443 0.6443 0.7390 0.7390 0.7872 0.7872 0.8931 0.8931 2.3299 2.3299 2.3698 2.3698 2.5340 2.5340 2.5840 2.5840 3.0980 3.0980 3.1098 3.1098 3.1851 3.1851 3.3712 3.3712 3.3946 3.3946 5.0631 5.0631 5.0846 5.0846 5.4739 5.4739 8.1791 8.1791 8.5031 8.5031 8.5661 8.5661 9.1413 9.1413 9.2514 9.2514 k = 0.0586 0.0338 0.0957 ( 13775 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6750 -21.6750 -21.6720 -21.6720 -10.6597 -10.6597 -10.0151 -10.0151 -9.9552 -9.9552 -9.9487 -9.9487 -9.9166 -9.9166 -9.9116 -9.9116 -6.4106 -6.4106 -6.3766 -6.3766 -5.5550 -5.5550 -5.5526 -5.5526 -5.5078 -5.5078 -5.5060 -5.5060 -1.0501 -1.0501 0.4211 0.4211 0.4246 0.4246 0.5694 0.5694 0.6064 0.6064 0.6395 0.6395 0.7327 0.7327 0.7753 0.7753 0.8603 0.8603 2.3466 2.3466 2.3744 2.3744 2.5539 2.5539 2.5894 2.5894 3.1131 3.1131 3.1376 3.1376 3.1929 3.1929 3.3884 3.3884 3.4050 3.4050 5.0558 5.0558 5.0717 5.0717 5.4623 5.4623 8.1339 8.1339 8.5319 8.5319 8.5794 8.5794 9.0985 9.0985 9.2197 9.2197 k = 0.0469 0.0271 0.0765 ( 13757 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6750 -21.6750 -21.6720 -21.6720 -10.6624 -10.6624 -10.0138 -10.0138 -9.9516 -9.9516 -9.9470 -9.9470 -9.9167 -9.9167 -9.9132 -9.9132 -6.4117 -6.4117 -6.3770 -6.3770 -5.5560 -5.5560 -5.5544 -5.5544 -5.5080 -5.5080 -5.5068 -5.5068 -1.0619 -1.0619 0.4220 0.4220 0.4249 0.4249 0.5907 0.5907 0.6219 0.6219 0.6373 0.6373 0.7272 0.7272 0.7632 0.7632 0.8280 0.8280 2.3600 2.3600 2.3779 2.3779 2.5708 2.5708 2.5944 2.5944 3.1248 3.1248 3.1625 3.1625 3.1995 3.1995 3.4028 3.4028 3.4136 3.4136 5.0497 5.0497 5.0604 5.0604 5.4524 5.4524 8.0960 8.0960 8.5577 8.5577 8.5903 8.5903 9.0634 9.0634 9.1934 9.1934 k = 0.0352 0.0203 0.0574 ( 13757 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6750 -21.6750 -21.6720 -21.6720 -10.6645 -10.6645 -10.0128 -10.0128 -9.9484 -9.9484 -9.9457 -9.9457 -9.9169 -9.9169 -9.9147 -9.9147 -6.4126 -6.4126 -6.3774 -6.3774 -5.5568 -5.5568 -5.5559 -5.5559 -5.5082 -5.5082 -5.5075 -5.5075 -1.0712 -1.0712 0.4225 0.4225 0.4245 0.4245 0.6139 0.6139 0.6286 0.6286 0.6448 0.6448 0.7220 0.7220 0.7511 0.7511 0.7966 0.7966 2.3702 2.3702 2.3804 2.3804 2.5841 2.5841 2.5986 2.5986 3.1339 3.1339 3.1832 3.1832 3.2047 3.2047 3.4143 3.4143 3.4204 3.4204 5.0449 5.0449 5.0512 5.0512 5.4445 5.4445 8.0661 8.0661 8.5792 8.5792 8.5987 8.5987 9.0361 9.0361 9.1727 9.1727 k = 0.0234 0.0135 0.0383 ( 13779 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6750 -21.6750 -21.6719 -21.6719 -10.6660 -10.6660 -10.0122 -10.0122 -9.9459 -9.9459 -9.9446 -9.9446 -9.9170 -9.9170 -9.9159 -9.9159 -6.4133 -6.4133 -6.3776 -6.3776 -5.5574 -5.5574 -5.5570 -5.5570 -5.5083 -5.5083 -5.5080 -5.5080 -1.0779 -1.0779 0.4229 0.4229 0.4239 0.4239 0.6281 0.6281 0.6384 0.6384 0.6594 0.6594 0.7164 0.7164 0.7401 0.7401 0.7669 0.7669 2.3775 2.3775 2.3820 2.3820 2.5937 2.5937 2.6018 2.6018 3.1404 3.1404 3.1986 3.1986 3.2084 3.2084 3.4226 3.4226 3.4253 3.4253 5.0414 5.0414 5.0443 5.0443 5.4387 5.4387 8.0444 8.0444 8.5955 8.5955 8.6045 8.6045 9.0166 9.0166 9.1577 9.1577 k = 0.0117 0.0068 0.0191 ( 13795 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6751 -21.6751 -21.6719 -21.6719 -10.6670 -10.6670 -10.0118 -10.0118 -9.9443 -9.9443 -9.9440 -9.9440 -9.9171 -9.9171 -9.9168 -9.9168 -6.4137 -6.4137 -6.3778 -6.3778 -5.5577 -5.5577 -5.5576 -5.5576 -5.5084 -5.5084 -5.5083 -5.5083 -1.0820 -1.0820 0.4231 0.4231 0.4233 0.4233 0.6273 0.6273 0.6628 0.6628 0.6727 0.6727 0.7079 0.7079 0.7325 0.7325 0.7416 0.7416 2.3818 2.3818 2.3829 2.3829 2.5993 2.5993 2.6041 2.6041 3.1443 3.1443 3.2082 3.2082 3.2107 3.2107 3.4276 3.4276 3.4283 3.4283 5.0393 5.0393 5.0401 5.0401 5.4352 5.4352 8.0313 8.0313 8.6057 8.6057 8.6080 8.6080 9.0050 9.0050 9.1487 9.1487 k = 0.0000 0.0000 0.0000 ( 13803 PWs) bands (ev): -69.7036 -69.7036 -41.1099 -41.1099 -31.3406 -31.3406 -31.3406 -31.3406 -21.6751 -21.6751 -21.6719 -21.6719 -10.6673 -10.6673 -10.0117 -10.0117 -9.9438 -9.9438 -9.9438 -9.9438 -9.9171 -9.9171 -9.9171 -9.9171 -6.4138 -6.4138 -6.3779 -6.3779 -5.5578 -5.5578 -5.5578 -5.5578 -5.5084 -5.5084 -5.5084 -5.5084 -1.0833 -1.0833 0.4231 0.4231 0.4232 0.4232 0.6270 0.6270 0.6789 0.6789 0.6789 0.6789 0.6986 0.6986 0.7300 0.7300 0.7300 0.7300 2.3832 2.3832 2.3832 2.3832 2.6010 2.6010 2.6050 2.6050 3.1456 3.1456 3.2114 3.2114 3.2114 3.2114 3.4293 3.4293 3.4293 3.4293 5.0386 5.0386 5.0387 5.0387 5.4340 5.4340 8.0269 8.0269 8.6092 8.6092 8.6092 8.6092 9.0011 9.0011 9.1457 9.1457 k = 0.0000 0.0000 0.0000 ( 13803 PWs) bands (ev): -69.7036 -69.7036 -41.1099 -41.1099 -31.3406 -31.3406 -31.3406 -31.3406 -21.6751 -21.6751 -21.6719 -21.6719 -10.6673 -10.6673 -10.0117 -10.0117 -9.9438 -9.9438 -9.9438 -9.9438 -9.9171 -9.9171 -9.9171 -9.9171 -6.4138 -6.4138 -6.3779 -6.3779 -5.5578 -5.5578 -5.5578 -5.5578 -5.5084 -5.5084 -5.5084 -5.5084 -1.0833 -1.0833 0.4231 0.4231 0.4232 0.4232 0.6270 0.6270 0.6789 0.6789 0.6789 0.6789 0.6986 0.6986 0.7300 0.7300 0.7300 0.7300 2.3832 2.3832 2.3832 2.3832 2.6010 2.6010 2.6050 2.6050 3.1456 3.1456 3.2114 3.2114 3.2114 3.2114 3.4293 3.4293 3.4293 3.4293 5.0386 5.0386 5.0387 5.0387 5.4340 5.4340 8.0269 8.0269 8.6092 8.6092 8.6092 8.6092 9.0011 9.0011 9.1457 9.1457 k = 0.0192 0.0111 0.0079 ( 13794 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6751 -21.6751 -21.6719 -21.6719 -10.6670 -10.6670 -10.0118 -10.0118 -9.9442 -9.9442 -9.9441 -9.9441 -9.9171 -9.9171 -9.9168 -9.9168 -6.4137 -6.4137 -6.3778 -6.3778 -5.5577 -5.5577 -5.5576 -5.5576 -5.5084 -5.5084 -5.5083 -5.5083 -1.0819 -1.0819 0.4232 0.4232 0.4233 0.4233 0.6273 0.6273 0.6652 0.6652 0.6695 0.6695 0.7083 0.7083 0.7340 0.7340 0.7405 0.7405 2.3817 2.3817 2.3830 2.3830 2.5993 2.5993 2.6041 2.6041 3.1443 3.1443 3.2081 3.2081 3.2108 3.2108 3.4278 3.4278 3.4282 3.4282 5.0395 5.0395 5.0400 5.0400 5.4352 5.4352 8.0313 8.0313 8.6068 8.6068 8.6069 8.6069 9.0050 9.0050 9.1487 9.1487 k = 0.0385 0.0222 0.0157 ( 13782 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6750 -21.6750 -21.6719 -21.6719 -10.6660 -10.6660 -10.0122 -10.0122 -9.9456 -9.9456 -9.9450 -9.9450 -9.9170 -9.9170 -9.9159 -9.9159 -6.4133 -6.4133 -6.3776 -6.3776 -5.5574 -5.5574 -5.5569 -5.5569 -5.5083 -5.5083 -5.5080 -5.5080 -1.0779 -1.0779 0.4232 0.4232 0.4236 0.4236 0.6280 0.6280 0.6450 0.6450 0.6513 0.6513 0.7132 0.7132 0.7498 0.7498 0.7620 0.7620 2.3771 2.3771 2.3823 2.3823 2.5935 2.5935 2.6020 2.6020 3.1404 3.1404 3.1981 3.1981 3.2089 3.2089 3.4231 3.4231 3.4247 3.4247 5.0420 5.0420 5.0438 5.0438 5.4387 5.4387 8.0446 8.0446 8.5997 8.5997 8.6003 8.6003 9.0167 9.0167 9.1578 9.1578 k = 0.0577 0.0333 0.0236 ( 13770 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6750 -21.6750 -21.6720 -21.6720 -10.6645 -10.6645 -10.0129 -10.0129 -9.9477 -9.9477 -9.9465 -9.9465 -9.9168 -9.9168 -9.9146 -9.9146 -6.4126 -6.4126 -6.3774 -6.3774 -5.5569 -5.5569 -5.5558 -5.5558 -5.5082 -5.5082 -5.5075 -5.5075 -1.0711 -1.0711 0.4232 0.4232 0.4239 0.4239 0.6225 0.6225 0.6315 0.6315 0.6322 0.6322 0.7113 0.7113 0.7726 0.7726 0.7870 0.7870 2.3696 2.3696 2.3808 2.3808 2.5835 2.5835 2.5990 2.5990 3.1339 3.1339 3.1819 3.1819 3.2057 3.2057 3.4154 3.4154 3.4190 3.4190 5.0461 5.0461 5.0502 5.0502 5.4445 5.4445 8.0665 8.0665 8.5882 8.5882 8.5895 8.5895 9.0361 9.0361 9.1729 9.1729 k = 0.0769 0.0444 0.0314 ( 13758 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6750 -21.6750 -21.6720 -21.6720 -10.6623 -10.6623 -10.0139 -10.0139 -9.9506 -9.9506 -9.9483 -9.9483 -9.9167 -9.9167 -9.9129 -9.9129 -6.4117 -6.4117 -6.3770 -6.3770 -5.5561 -5.5561 -5.5543 -5.5543 -5.5081 -5.5081 -5.5068 -5.5068 -1.0617 -1.0617 0.4232 0.4232 0.4240 0.4240 0.6032 0.6032 0.6141 0.6141 0.6329 0.6329 0.7067 0.7067 0.7979 0.7979 0.8134 0.8134 2.3591 2.3591 2.3782 2.3782 2.5697 2.5697 2.5951 2.5951 3.1248 3.1248 3.1603 3.1603 3.2015 3.2015 3.4048 3.4048 3.4111 3.4111 5.0515 5.0515 5.0589 5.0589 5.4524 5.4524 8.0968 8.0968 8.5730 8.5730 8.5751 8.5751 9.0631 9.0631 9.1938 9.1938 k = 0.0962 0.0555 0.0393 ( 13770 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6750 -21.6750 -21.6720 -21.6720 -10.6596 -10.6596 -10.0153 -10.0153 -9.9539 -9.9539 -9.9504 -9.9504 -9.9167 -9.9167 -9.9110 -9.9110 -6.4106 -6.4106 -6.3766 -6.3766 -5.5552 -5.5552 -5.5524 -5.5524 -5.5080 -5.5080 -5.5059 -5.5059 -1.0498 -1.0498 0.4231 0.4231 0.4235 0.4235 0.5841 0.5841 0.5982 0.5982 0.6357 0.6357 0.7005 0.7005 0.8242 0.8242 0.8406 0.8406 2.3460 2.3460 2.3739 2.3739 2.5523 2.5523 2.5906 2.5906 3.1132 3.1132 3.1344 3.1344 3.1964 3.1964 3.3913 3.3913 3.4012 3.4012 5.0582 5.0582 5.0696 5.0696 5.4621 5.4621 8.1352 8.1352 8.5546 8.5546 8.5576 8.5576 9.0976 9.0976 9.2201 9.2201 k = 0.1154 0.0666 0.0471 ( 13788 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6749 -21.6749 -21.6720 -21.6720 -10.6563 -10.6563 -10.0172 -10.0172 -9.9577 -9.9577 -9.9527 -9.9527 -9.9167 -9.9167 -9.9090 -9.9090 -6.4092 -6.4092 -6.3760 -6.3760 -5.5541 -5.5541 -5.5500 -5.5500 -5.5078 -5.5078 -5.5048 -5.5048 -1.0355 -1.0355 0.4219 0.4219 0.4229 0.4229 0.5658 0.5658 0.5850 0.5850 0.6388 0.6388 0.6936 0.6936 0.8514 0.8514 0.8682 0.8682 2.3303 2.3303 2.3671 2.3671 2.5317 2.5317 2.5857 2.5857 3.0983 3.0983 3.1060 3.1060 3.1906 3.1906 3.3751 3.3751 3.3893 3.3893 5.0657 5.0657 5.0821 5.0821 5.4733 5.4733 8.1811 8.1811 8.5337 8.5337 8.5376 8.5376 9.1391 9.1391 9.2516 9.2516 k = 0.1346 0.0777 0.0550 ( 13791 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6749 -21.6749 -21.6721 -21.6721 -10.6524 -10.6524 -10.0197 -10.0197 -9.9616 -9.9616 -9.9550 -9.9550 -9.9169 -9.9169 -9.9069 -9.9069 -6.4076 -6.4076 -6.3754 -6.3754 -5.5528 -5.5528 -5.5474 -5.5474 -5.5076 -5.5076 -5.5036 -5.5036 -1.0189 -1.0189 0.4187 0.4187 0.4225 0.4225 0.5486 0.5486 0.5753 0.5753 0.6415 0.6415 0.6868 0.6868 0.8791 0.8791 0.8961 0.8961 2.3123 2.3123 2.3569 2.3569 2.5079 2.5079 2.5812 2.5812 3.0720 3.0720 3.0847 3.0847 3.1842 3.1842 3.3565 3.3565 3.3756 3.3756 5.0739 5.0739 5.0962 5.0962 5.4859 5.4859 8.2341 8.2341 8.5111 8.5111 8.5156 8.5156 9.1876 9.1876 9.2877 9.2877 k = 0.1538 0.0888 0.0628 ( 13797 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6749 -21.6749 -21.6721 -21.6721 -10.6481 -10.6481 -10.0230 -10.0230 -9.9654 -9.9654 -9.9574 -9.9574 -9.9171 -9.9171 -9.9048 -9.9048 -6.4059 -6.4059 -6.3748 -6.3748 -5.5513 -5.5513 -5.5444 -5.5444 -5.5074 -5.5074 -5.5022 -5.5022 -1.0001 -1.0001 0.4135 0.4135 0.4219 0.4219 0.5325 0.5325 0.5695 0.5695 0.6423 0.6423 0.6819 0.6819 0.9071 0.9071 0.9239 0.9239 2.2923 2.2923 2.3425 2.3425 2.4810 2.4810 2.5777 2.5777 3.0402 3.0402 3.0661 3.0661 3.1775 3.1775 3.3357 3.3357 3.3603 3.3603 5.0826 5.0826 5.1114 5.1114 5.4994 5.4994 8.2936 8.2936 8.4874 8.4874 8.4923 8.4923 9.2425 9.2425 9.3281 9.3281 k = 0.1731 0.0999 0.0707 ( 13785 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6748 -21.6748 -21.6721 -21.6721 -10.6432 -10.6432 -10.0272 -10.0272 -9.9691 -9.9691 -9.9598 -9.9598 -9.9174 -9.9174 -9.9027 -9.9027 -6.4040 -6.4040 -6.3740 -6.3740 -5.5497 -5.5497 -5.5412 -5.5412 -5.5072 -5.5072 -5.5008 -5.5008 -0.9794 -0.9794 0.4064 0.4064 0.4210 0.4210 0.5176 0.5176 0.5676 0.5676 0.6389 0.6389 0.6815 0.6815 0.9355 0.9355 0.9515 0.9515 2.2707 2.2707 2.3231 2.3231 2.4509 2.4509 2.5760 2.5760 3.0086 3.0086 3.0460 3.0460 3.1705 3.1705 3.3129 3.3129 3.3435 3.3435 5.0915 5.0915 5.1276 5.1276 5.5136 5.5136 8.3589 8.3589 8.4631 8.4631 8.4681 8.4681 9.3034 9.3034 9.3720 9.3720 k = 0.1923 0.1110 0.0785 ( 13797 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6747 -21.6747 -21.6722 -21.6722 -10.6379 -10.6379 -10.0323 -10.0323 -9.9724 -9.9724 -9.9622 -9.9622 -9.9178 -9.9178 -9.9007 -9.9007 -6.4019 -6.4019 -6.3733 -6.3733 -5.5480 -5.5480 -5.5377 -5.5377 -5.5071 -5.5071 -5.4992 -5.4992 -0.9569 -0.9569 0.3975 0.3975 0.4197 0.4197 0.5041 0.5041 0.5693 0.5693 0.6311 0.6311 0.6859 0.6859 0.9639 0.9639 0.9785 0.9785 2.2478 2.2478 2.2987 2.2987 2.4175 2.4175 2.5765 2.5765 2.9787 2.9787 3.0242 3.0242 3.1634 3.1634 3.2884 3.2884 3.3255 3.3255 5.1003 5.1003 5.1443 5.1443 5.5282 5.5282 8.4294 8.4294 8.4388 8.4388 8.4436 8.4436 9.3695 9.3695 9.4191 9.4191 k = 0.2115 0.1221 0.0864 ( 13803 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3406 -31.3406 -21.6747 -21.6747 -21.6722 -21.6722 -10.6322 -10.6322 -10.0384 -10.0384 -9.9752 -9.9752 -9.9646 -9.9646 -9.9183 -9.9183 -9.8987 -9.8987 -6.3998 -6.3998 -6.3725 -6.3725 -5.5461 -5.5461 -5.5340 -5.5340 -5.5069 -5.5069 -5.4976 -5.4976 -0.9330 -0.9330 0.3873 0.3873 0.4179 0.4179 0.4920 0.4920 0.5741 0.5741 0.6205 0.6205 0.6937 0.6937 0.9923 0.9923 1.0049 1.0049 2.2240 2.2240 2.2692 2.2692 2.3808 2.3808 2.5796 2.5796 2.9511 2.9511 3.0011 3.0011 3.1562 3.1562 3.2626 3.2626 3.3063 3.3063 5.1090 5.1090 5.1612 5.1612 5.5430 5.5430 8.4145 8.4145 8.4192 8.4192 8.5048 8.5048 9.4385 9.4385 9.4702 9.4702 k = 0.2308 0.1332 0.0942 ( 13785 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6746 -21.6746 -21.6723 -21.6723 -10.6261 -10.6261 -10.0454 -10.0454 -9.9774 -9.9774 -9.9668 -9.9668 -9.9189 -9.9189 -9.8968 -9.8968 -6.3975 -6.3975 -6.3718 -6.3718 -5.5441 -5.5441 -5.5302 -5.5302 -5.5068 -5.5068 -5.4960 -5.4960 -0.9079 -0.9079 0.3765 0.3765 0.4156 0.4156 0.4817 0.4817 0.5814 0.5814 0.6087 0.6087 0.7036 0.7036 1.0204 1.0204 1.0303 1.0303 2.1997 2.1997 2.2350 2.2350 2.3416 2.3416 2.5851 2.5851 2.9265 2.9265 2.9769 2.9769 3.1489 3.1489 3.2361 3.2361 3.2862 3.2862 5.1174 5.1174 5.1782 5.1782 5.5577 5.5577 8.3911 8.3911 8.3952 8.3952 8.5838 8.5838 9.5022 9.5022 9.5318 9.5318 k = 0.2500 0.1443 0.1021 ( 13782 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6745 -21.6745 -21.6724 -21.6724 -10.6198 -10.6198 -10.0531 -10.0531 -9.9793 -9.9793 -9.9690 -9.9690 -9.9194 -9.9194 -9.8950 -9.8950 -6.3952 -6.3952 -6.3710 -6.3710 -5.5421 -5.5421 -5.5263 -5.5263 -5.5068 -5.5068 -5.4944 -5.4944 -0.8819 -0.8819 0.3654 0.3654 0.4124 0.4124 0.4731 0.4731 0.5907 0.5907 0.5965 0.5965 0.7151 0.7151 1.0480 1.0480 1.0544 1.0544 2.1755 2.1755 2.1963 2.1963 2.3008 2.3008 2.5927 2.5927 2.9048 2.9048 2.9520 2.9520 3.1414 3.1414 3.2093 3.2093 3.2654 3.2654 5.1254 5.1254 5.1949 5.1949 5.5722 5.5722 8.3686 8.3686 8.3719 8.3719 8.6661 8.6661 9.5546 9.5546 9.6083 9.6083 k = 0.2692 0.1554 0.1099 ( 13785 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6745 -21.6745 -21.6724 -21.6724 -10.6133 -10.6133 -10.0613 -10.0613 -9.9807 -9.9807 -9.9711 -9.9711 -9.9201 -9.9201 -9.8933 -9.8933 -6.3929 -6.3929 -6.3703 -6.3703 -5.5400 -5.5400 -5.5224 -5.5224 -5.5068 -5.5068 -5.4928 -5.4928 -0.8553 -0.8553 0.3543 0.3543 0.4085 0.4085 0.4664 0.4664 0.5844 0.5844 0.6016 0.6016 0.7276 0.7276 1.0751 1.0751 1.0771 1.0771 2.1518 2.1518 2.1535 2.1535 2.2597 2.2597 2.6021 2.6021 2.8856 2.8856 2.9272 2.9272 3.1327 3.1327 3.1836 3.1836 3.2440 3.2440 5.1328 5.1328 5.2111 5.2111 5.5862 5.5862 8.3473 8.3473 8.3496 8.3496 8.7507 8.7507 9.6017 9.6017 9.6917 9.6917 k = 0.2885 0.1665 0.1178 ( 13791 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6744 -21.6744 -21.6725 -21.6725 -10.6067 -10.6067 -10.0700 -10.0700 -9.9818 -9.9818 -9.9731 -9.9731 -9.9207 -9.9207 -9.8917 -9.8917 -6.3906 -6.3906 -6.3697 -6.3697 -5.5378 -5.5378 -5.5185 -5.5185 -5.5069 -5.5069 -5.4913 -5.4913 -0.8286 -0.8286 0.3437 0.3437 0.4039 0.4039 0.4614 0.4614 0.5729 0.5729 0.6136 0.6136 0.7410 0.7410 1.0980 1.0980 1.1012 1.1012 2.1071 2.1071 2.1290 2.1290 2.2197 2.2197 2.6131 2.6131 2.8680 2.8680 2.9033 2.9033 3.1210 3.1210 3.1612 3.1612 3.2223 3.2223 5.1397 5.1397 5.2266 5.2266 5.5995 5.5995 8.3273 8.3273 8.3284 8.3284 8.8371 8.8371 9.6449 9.6449 9.7787 9.7787 k = 0.3077 0.1776 0.1256 ( 13782 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6743 -21.6743 -21.6726 -21.6726 -10.6000 -10.6000 -10.0788 -10.0788 -9.9826 -9.9826 -9.9749 -9.9749 -9.9213 -9.9213 -9.8902 -9.8902 -6.3883 -6.3883 -6.3691 -6.3691 -5.5357 -5.5357 -5.5146 -5.5146 -5.5070 -5.5070 -5.4899 -5.4899 -0.8022 -0.8022 0.3336 0.3336 0.3987 0.3987 0.4576 0.4576 0.5626 0.5626 0.6263 0.6263 0.7549 0.7549 1.1170 1.1170 1.1261 1.1261 2.0581 2.0581 2.1075 2.1075 2.1817 2.1817 2.6253 2.6253 2.8504 2.8504 2.8822 2.8822 3.1036 3.1036 3.1454 3.1454 3.2003 3.2003 5.1460 5.1460 5.2413 5.2413 5.6121 5.6121 8.3087 8.3087 8.3088 8.3088 8.9245 8.9245 9.6836 9.6836 9.8681 9.8681 k = 0.3269 0.1887 0.1335 ( 13767 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6742 -21.6742 -21.6726 -21.6726 -10.5934 -10.5934 -10.0876 -10.0876 -9.9832 -9.9832 -9.9766 -9.9766 -9.9220 -9.9220 -9.8889 -9.8889 -6.3860 -6.3860 -6.3686 -6.3686 -5.5335 -5.5335 -5.5109 -5.5109 -5.5073 -5.5073 -5.4886 -5.4886 -0.7764 -0.7764 0.3242 0.3242 0.3934 0.3934 0.4545 0.4545 0.5540 0.5540 0.6394 0.6394 0.7691 0.7691 1.1338 1.1338 1.1497 1.1497 2.0076 2.0076 2.0877 2.0877 2.1463 2.1463 2.6383 2.6383 2.8309 2.8309 2.8658 2.8658 3.0812 3.0812 3.1357 3.1357 3.1785 3.1785 5.1517 5.1517 5.2549 5.2549 5.6237 5.6237 8.2905 8.2905 8.2919 8.2919 9.0119 9.0119 9.7170 9.7170 9.9588 9.9588 k = 0.3462 0.1999 0.1413 ( 13773 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6741 -21.6741 -21.6727 -21.6727 -10.5869 -10.5869 -10.0962 -10.0962 -9.9837 -9.9837 -9.9781 -9.9781 -9.9226 -9.9226 -9.8877 -9.8877 -6.3838 -6.3838 -6.3682 -6.3682 -5.5313 -5.5313 -5.5076 -5.5076 -5.5073 -5.5073 -5.4874 -5.4874 -0.7517 -0.7517 0.3156 0.3156 0.3881 0.3881 0.4516 0.4516 0.5474 0.5474 0.6526 0.6526 0.7833 0.7833 1.1483 1.1483 1.1715 1.1715 1.9572 1.9572 2.0700 2.0700 2.1136 2.1136 2.6519 2.6519 2.8096 2.8096 2.8541 2.8541 3.0572 3.0572 3.1293 3.1293 3.1570 3.1570 5.1568 5.1568 5.2674 5.2674 5.6344 5.6344 8.2739 8.2739 8.2766 8.2766 9.0988 9.0988 9.7441 9.7441 10.0500 10.0500 k = 0.3654 0.2110 0.1492 ( 13773 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6741 -21.6741 -21.6728 -21.6728 -10.5808 -10.5808 -10.1044 -10.1044 -9.9840 -9.9840 -9.9795 -9.9795 -9.9232 -9.9232 -9.8866 -9.8866 -6.3818 -6.3818 -6.3680 -6.3680 -5.5292 -5.5292 -5.5081 -5.5081 -5.5038 -5.5038 -5.4865 -5.4865 -0.7286 -0.7286 0.3079 0.3079 0.3832 0.3832 0.4485 0.4485 0.5431 0.5431 0.6655 0.6655 0.7971 0.7971 1.1604 1.1604 1.1914 1.1914 1.9085 1.9085 2.0546 2.0546 2.0841 2.0841 2.6656 2.6656 2.7881 2.7881 2.8457 2.8457 3.0337 3.0337 3.1246 3.1246 3.1360 3.1360 5.1612 5.1612 5.2786 5.2786 5.6440 5.6440 8.2591 8.2591 8.2630 8.2630 9.1841 9.1841 9.7644 9.7644 10.1406 10.1406 k = 0.3846 0.2221 0.1570 ( 13795 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6740 -21.6740 -21.6729 -21.6729 -10.5751 -10.5751 -10.1120 -10.1120 -9.9842 -9.9842 -9.9807 -9.9807 -9.9237 -9.9237 -9.8856 -9.8856 -6.3798 -6.3798 -6.3678 -6.3678 -5.5272 -5.5272 -5.5087 -5.5087 -5.5006 -5.5006 -5.4858 -5.4858 -0.7075 -0.7075 0.3011 0.3011 0.3787 0.3787 0.4450 0.4450 0.5411 0.5411 0.6778 0.6778 0.8102 0.8102 1.1701 1.1701 1.2091 1.2091 1.8626 1.8626 2.0415 2.0415 2.0579 2.0579 2.6790 2.6790 2.7678 2.7678 2.8396 2.8396 3.0118 3.0118 3.1161 3.1161 3.1208 3.1208 5.1651 5.1651 5.2884 5.2884 5.6524 5.6524 8.2461 8.2461 8.2512 8.2512 9.2669 9.2669 9.7771 9.7771 10.2294 10.2294 k = 0.4038 0.2332 0.1649 ( 13783 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6739 -21.6739 -21.6730 -21.6730 -10.5700 -10.5700 -10.1188 -10.1188 -9.9844 -9.9844 -9.9817 -9.9817 -9.9241 -9.9241 -9.8848 -9.8848 -6.3779 -6.3779 -6.3678 -6.3678 -5.5252 -5.5252 -5.5093 -5.5093 -5.4977 -5.4977 -5.4853 -5.4853 -0.6889 -0.6889 0.2954 0.2954 0.3748 0.3748 0.4412 0.4412 0.5410 0.5410 0.6891 0.6891 0.8222 0.8222 1.1777 1.1777 1.2243 1.2243 1.8211 1.8211 2.0308 2.0308 2.0353 2.0353 2.6916 2.6916 2.7495 2.7495 2.8352 2.8352 2.9922 2.9922 3.0976 3.0976 3.1178 3.1178 5.1683 5.1683 5.2969 5.2969 5.6596 5.6596 8.2350 8.2350 8.2412 8.2412 9.3463 9.3463 9.7818 9.7818 10.3116 10.3118 k = 0.4231 0.2443 0.1727 ( 13786 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6738 -21.6738 -21.6730 -21.6730 -10.5656 -10.5656 -10.1246 -10.1246 -9.9845 -9.9845 -9.9826 -9.9826 -9.9245 -9.9245 -9.8842 -9.8842 -6.3763 -6.3763 -6.3679 -6.3679 -5.5233 -5.5233 -5.5101 -5.5101 -5.4950 -5.4950 -5.4851 -5.4851 -0.6730 -0.6730 0.2906 0.2906 0.3716 0.3716 0.4374 0.4374 0.5422 0.5422 0.6990 0.6990 0.8328 0.8328 1.1833 1.1833 1.2369 1.2369 1.7851 1.7851 2.0164 2.0164 2.0224 2.0224 2.7025 2.7025 2.7342 2.7342 2.8322 2.8322 2.9753 2.9753 3.0809 3.0809 3.1155 3.1155 5.1709 5.1709 5.3039 5.3039 5.6655 5.6655 8.2259 8.2259 8.2330 8.2330 9.4211 9.4211 9.7781 9.7781 10.3833 10.3833 k = 0.4423 0.2554 0.1806 ( 13765 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6737 -21.6737 -21.6731 -21.6731 -10.5620 -10.5620 -10.1294 -10.1294 -9.9846 -9.9846 -9.9833 -9.9833 -9.9248 -9.9248 -9.8837 -9.8837 -6.3748 -6.3748 -6.3682 -6.3682 -5.5216 -5.5216 -5.5109 -5.5109 -5.4926 -5.4926 -5.4852 -5.4852 -0.6603 -0.6603 0.2869 0.2869 0.3690 0.3690 0.4340 0.4340 0.5442 0.5442 0.7072 0.7072 0.8415 0.8415 1.1872 1.1872 1.2467 1.2467 1.7558 1.7558 2.0016 2.0016 2.0161 2.0161 2.7092 2.7092 2.7245 2.7245 2.8304 2.8304 2.9617 2.9617 3.0669 3.0669 3.1137 3.1137 5.1729 5.1729 5.3093 5.3093 5.6701 5.6701 8.2188 8.2188 8.2266 8.2266 9.4902 9.4902 9.7660 9.7660 10.4535 10.4535 k = 0.4615 0.2665 0.1884 ( 13798 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6736 -21.6736 -21.6732 -21.6732 -10.5594 -10.5594 -10.1329 -10.1329 -9.9846 -9.9846 -9.9838 -9.9838 -9.9251 -9.9251 -9.8833 -9.8833 -6.3735 -6.3735 -6.3686 -6.3686 -5.5202 -5.5202 -5.5118 -5.5118 -5.4906 -5.4906 -5.4856 -5.4856 -0.6510 -0.6510 0.2842 0.2842 0.3672 0.3672 0.4314 0.4314 0.5461 0.5461 0.7133 0.7133 0.8480 0.8480 1.1897 1.1897 1.2538 1.2538 1.7341 1.7341 1.9909 1.9909 2.0118 2.0118 2.7066 2.7066 2.7251 2.7251 2.8294 2.8294 2.9517 2.9517 3.0561 3.0561 3.1124 3.1124 5.1743 5.1743 5.3133 5.3133 5.6735 5.6735 8.2136 8.2136 8.2221 8.2221 9.5519 9.5519 9.7459 9.7459 10.5215 10.5215 k = 0.4808 0.2776 0.1963 ( 13786 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6735 -21.6735 -21.6733 -21.6733 -10.5577 -10.5577 -10.1350 -10.1350 -9.9846 -9.9846 -9.9840 -9.9840 -9.9252 -9.9252 -9.8831 -9.8831 -6.3726 -6.3726 -6.3690 -6.3690 -5.5191 -5.5191 -5.5125 -5.5125 -5.4889 -5.4889 -5.4863 -5.4863 -0.6453 -0.6453 0.2826 0.2826 0.3661 0.3661 0.4297 0.4297 0.5475 0.5475 0.7171 0.7171 0.8520 0.8520 1.1911 1.1911 1.2581 1.2581 1.7207 1.7207 1.9845 1.9845 2.0093 2.0093 2.7020 2.7020 2.7286 2.7286 2.8290 2.8290 2.9456 2.9456 3.0493 3.0493 3.1117 3.1117 5.1752 5.1752 5.3156 5.3156 5.6755 5.6755 8.2106 8.2106 8.2193 8.2193 9.6027 9.6027 9.7205 9.7205 10.5866 10.5866 k = 0.5000 0.2887 0.2041 ( 13798 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6734 -21.6734 -21.6734 -21.6734 -10.5572 -10.5572 -10.1357 -10.1357 -9.9846 -9.9846 -9.9841 -9.9841 -9.9253 -9.9253 -9.8830 -9.8830 -6.3722 -6.3722 -6.3692 -6.3692 -5.5186 -5.5186 -5.5128 -5.5128 -5.4879 -5.4879 -5.4870 -5.4870 -0.6434 -0.6434 0.2820 0.2820 0.3657 0.3657 0.4291 0.4291 0.5480 0.5480 0.7184 0.7184 0.8534 0.8534 1.1915 1.1915 1.2595 1.2595 1.7162 1.7162 1.9823 1.9823 2.0085 2.0085 2.7003 2.7003 2.7299 2.7299 2.8288 2.8288 2.9436 2.9436 3.0470 3.0470 3.1114 3.1114 5.1754 5.1754 5.3164 5.3164 5.6762 5.6762 8.2095 8.2095 8.2184 8.2184 9.6277 9.6277 9.7040 9.7040 10.6460 10.6477 k = 0.5000 0.2887 0.2041 ( 13798 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6734 -21.6734 -21.6734 -21.6734 -10.5572 -10.5572 -10.1357 -10.1357 -9.9846 -9.9846 -9.9841 -9.9841 -9.9253 -9.9253 -9.8830 -9.8830 -6.3722 -6.3722 -6.3692 -6.3692 -5.5186 -5.5186 -5.5128 -5.5128 -5.4879 -5.4879 -5.4870 -5.4870 -0.6434 -0.6434 0.2820 0.2820 0.3657 0.3657 0.4291 0.4291 0.5480 0.5480 0.7184 0.7184 0.8534 0.8534 1.1915 1.1915 1.2595 1.2595 1.7162 1.7162 1.9823 1.9823 2.0085 2.0085 2.7003 2.7003 2.7299 2.7299 2.8288 2.8288 2.9436 2.9436 3.0470 3.0470 3.1114 3.1114 5.1754 5.1754 5.3164 5.3164 5.6762 5.6762 8.2095 8.2095 8.2184 8.2184 9.6277 9.6277 9.7040 9.7040 10.6462 10.6479 k = 0.5066 0.2697 0.2149 ( 13788 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6734 -21.6734 -21.6734 -21.6734 -10.5570 -10.5570 -10.1357 -10.1357 -9.9847 -9.9847 -9.9842 -9.9842 -9.9253 -9.9253 -9.8831 -9.8831 -6.3722 -6.3722 -6.3691 -6.3691 -5.5185 -5.5185 -5.5127 -5.5127 -5.4879 -5.4879 -5.4870 -5.4870 -0.6424 -0.6424 0.2795 0.2795 0.3590 0.3590 0.4396 0.4396 0.5479 0.5479 0.7179 0.7179 0.8528 0.8528 1.1914 1.1914 1.2591 1.2591 1.7179 1.7179 1.9829 1.9829 2.0086 2.0086 2.6954 2.6954 2.7323 2.7323 2.8266 2.8266 2.9437 2.9437 3.0463 3.0463 3.1092 3.1092 5.1767 5.1767 5.3169 5.3169 5.6770 5.6770 8.2073 8.2073 8.2172 8.2172 9.6307 9.6307 9.7074 9.7074 10.6445 10.6445 k = 0.5132 0.2507 0.2256 ( 13792 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6734 -21.6734 -21.6734 -21.6734 -10.5565 -10.5565 -10.1358 -10.1358 -9.9849 -9.9849 -9.9843 -9.9843 -9.9253 -9.9253 -9.8836 -9.8836 -6.3720 -6.3720 -6.3690 -6.3690 -5.5182 -5.5182 -5.5124 -5.5124 -5.4879 -5.4879 -5.4870 -5.4870 -0.6396 -0.6396 0.2712 0.2712 0.3477 0.3477 0.4628 0.4628 0.5475 0.5475 0.7166 0.7166 0.8513 0.8513 1.1911 1.1911 1.2578 1.2578 1.7232 1.7232 1.9846 1.9846 2.0088 2.0088 2.6836 2.6836 2.7364 2.7364 2.8201 2.8201 2.9442 2.9442 3.0440 3.0440 3.1026 3.1026 5.1803 5.1803 5.3185 5.3185 5.6795 5.6795 8.1972 8.1972 8.2172 8.2172 9.6396 9.6396 9.7176 9.7176 10.6428 10.6428 k = 0.5197 0.2317 0.2364 ( 13784 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6734 -21.6734 -21.6734 -21.6734 -10.5557 -10.5557 -10.1359 -10.1359 -9.9855 -9.9855 -9.9841 -9.9841 -9.9254 -9.9254 -9.8843 -9.8843 -6.3718 -6.3718 -6.3688 -6.3688 -5.5176 -5.5176 -5.5120 -5.5120 -5.4879 -5.4879 -5.4869 -5.4869 -0.6348 -0.6348 0.2568 0.2568 0.3399 0.3399 0.4908 0.4908 0.5469 0.5469 0.7144 0.7144 0.8489 0.8489 1.1904 1.1904 1.2558 1.2558 1.7316 1.7316 1.9874 1.9874 2.0094 2.0094 2.6677 2.6677 2.7390 2.7390 2.8097 2.8097 2.9446 2.9446 3.0403 3.0403 3.0925 3.0925 5.1861 5.1861 5.3210 5.3210 5.6838 5.6838 8.1788 8.1788 8.2193 8.2193 9.6545 9.6545 9.7344 9.7344 10.6430 10.6430 k = 0.5263 0.2127 0.2471 ( 13784 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6734 -21.6734 -21.6734 -21.6734 -10.5547 -10.5547 -10.1360 -10.1360 -9.9864 -9.9864 -9.9838 -9.9838 -9.9256 -9.9256 -9.8853 -9.8853 -6.3714 -6.3714 -6.3686 -6.3686 -5.5169 -5.5169 -5.5114 -5.5114 -5.4878 -5.4878 -5.4869 -5.4869 -0.6283 -0.6283 0.2379 0.2379 0.3368 0.3368 0.5206 0.5206 0.5460 0.5460 0.7115 0.7115 0.8462 0.8462 1.1893 1.1893 1.2533 1.2533 1.7430 1.7430 1.9910 1.9910 2.0106 2.0106 2.6488 2.6488 2.7385 2.7385 2.7961 2.7961 2.9447 2.9447 3.0351 3.0351 3.0798 3.0798 5.1935 5.1935 5.3246 5.3246 5.6896 5.6896 8.1536 8.1536 8.2229 8.2229 9.6751 9.6751 9.7575 9.7575 10.6451 10.6451 k = 0.5329 0.1937 0.2578 ( 13780 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6734 -21.6734 -21.6734 -21.6734 -10.5533 -10.5533 -10.1362 -10.1362 -9.9875 -9.9875 -9.9835 -9.9835 -9.9258 -9.9258 -9.8865 -9.8865 -6.3710 -6.3710 -6.3683 -6.3683 -5.5159 -5.5159 -5.5107 -5.5107 -5.4878 -5.4878 -5.4869 -5.4869 -0.6201 -0.6201 0.2168 0.2168 0.3370 0.3370 0.5437 0.5437 0.5521 0.5521 0.7082 0.7082 0.8436 0.8436 1.1874 1.1874 1.2503 1.2503 1.7569 1.7569 1.9953 1.9953 2.0129 2.0129 2.6270 2.6270 2.7336 2.7336 2.7805 2.7805 2.9438 2.9438 3.0279 3.0279 3.0664 3.0664 5.2020 5.2020 5.3292 5.3292 5.6971 5.6971 8.1228 8.1228 8.2276 8.2276 9.7013 9.7013 9.7865 9.7865 10.6485 10.6485 k = 0.5395 0.1747 0.2686 ( 13779 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6734 -21.6734 -21.6734 -21.6734 -10.5517 -10.5517 -10.1363 -10.1363 -9.9889 -9.9889 -9.9831 -9.9831 -9.9262 -9.9262 -9.8878 -9.8878 -6.3704 -6.3704 -6.3679 -6.3679 -5.5148 -5.5148 -5.5099 -5.5099 -5.4878 -5.4878 -5.4868 -5.4868 -0.6104 -0.6104 0.1951 0.1951 0.3393 0.3393 0.5425 0.5425 0.5813 0.5813 0.7054 0.7054 0.8415 0.8415 1.1844 1.1844 1.2471 1.2471 1.7728 1.7728 1.9996 1.9996 2.0171 2.0171 2.6026 2.6026 2.7223 2.7223 2.7646 2.7646 2.9411 2.9411 3.0184 3.0184 3.0550 3.0550 5.2109 5.2109 5.3351 5.3351 5.7061 5.7061 8.0874 8.0874 8.2335 8.2335 9.7328 9.7328 9.8211 9.8211 10.6525 10.6525 k = 0.5461 0.1557 0.2793 ( 13783 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6734 -21.6734 -21.6734 -21.6734 -10.5498 -10.5498 -10.1365 -10.1365 -9.9904 -9.9904 -9.9825 -9.9825 -9.9267 -9.9267 -9.8893 -9.8893 -6.3698 -6.3698 -6.3675 -6.3675 -5.5135 -5.5135 -5.5089 -5.5089 -5.4878 -5.4878 -5.4868 -5.4868 -0.5994 -0.5994 0.1736 0.1736 0.3429 0.3429 0.5401 0.5401 0.6086 0.6086 0.7048 0.7048 0.8402 0.8402 1.1803 1.1803 1.2438 1.2438 1.7901 1.7901 2.0035 2.0035 2.0239 2.0239 2.5756 2.5756 2.7033 2.7033 2.7500 2.7500 2.9356 2.9356 3.0062 3.0062 3.0479 3.0479 5.2193 5.2193 5.3423 5.3423 5.7166 5.7166 8.0486 8.0486 8.2404 8.2404 9.7693 9.7693 9.8608 9.8608 10.6566 10.6566 k = 0.5526 0.1367 0.2901 ( 13778 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6734 -21.6734 -21.6734 -21.6734 -10.5478 -10.5478 -10.1367 -10.1367 -9.9920 -9.9920 -9.9820 -9.9820 -9.9274 -9.9274 -9.8909 -9.8909 -6.3692 -6.3692 -6.3670 -6.3670 -5.5121 -5.5121 -5.5079 -5.5079 -5.4878 -5.4878 -5.4867 -5.4867 -0.5874 -0.5874 0.1531 0.1531 0.3474 0.3474 0.5370 0.5370 0.6298 0.6298 0.7102 0.7102 0.8401 0.8401 1.1748 1.1748 1.2406 1.2406 1.8083 1.8083 2.0072 2.0072 2.0331 2.0331 2.5463 2.5463 2.6773 2.6773 2.7361 2.7361 2.9267 2.9267 2.9924 2.9924 3.0458 3.0458 5.2264 5.2264 5.3511 5.3511 5.7282 5.7282 8.0072 8.0072 8.2484 8.2484 9.8104 9.8104 9.9050 9.9050 10.6600 10.6600 k = 0.5592 0.1177 0.3008 ( 13781 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6734 -21.6734 -21.6734 -21.6734 -10.5456 -10.5456 -10.1369 -10.1369 -9.9937 -9.9937 -9.9813 -9.9813 -9.9284 -9.9284 -9.8924 -9.8924 -6.3685 -6.3685 -6.3666 -6.3666 -5.5106 -5.5106 -5.5067 -5.5067 -5.4878 -5.4878 -5.4865 -5.4865 -0.5746 -0.5746 0.1338 0.1338 0.3525 0.3525 0.5329 0.5329 0.6415 0.6415 0.7252 0.7252 0.8414 0.8414 1.1680 1.1680 1.2374 1.2374 1.8267 1.8267 2.0113 2.0113 2.0445 2.0445 2.5151 2.5151 2.6461 2.6461 2.7216 2.7216 2.9146 2.9146 2.9782 2.9782 3.0480 3.0480 5.2318 5.2318 5.3616 5.3616 5.7408 5.7408 7.9644 7.9644 8.2575 8.2575 9.8557 9.8557 9.9533 9.9533 10.6619 10.6619 k = 0.5658 0.0988 0.3116 ( 13767 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6734 -21.6734 -21.6734 -21.6734 -10.5433 -10.5433 -10.1371 -10.1371 -9.9955 -9.9955 -9.9806 -9.9806 -9.9296 -9.9296 -9.8939 -9.8939 -6.3678 -6.3678 -6.3661 -6.3661 -5.5091 -5.5091 -5.5056 -5.5056 -5.4879 -5.4879 -5.4864 -5.4864 -0.5614 -0.5614 0.1160 0.1160 0.3579 0.3579 0.5279 0.5279 0.6454 0.6454 0.7484 0.7484 0.8441 0.8441 1.1602 1.1602 1.2340 1.2340 1.8446 1.8446 2.0162 2.0162 2.0575 2.0575 2.4826 2.4826 2.6114 2.6114 2.7059 2.7059 2.9002 2.9002 2.9644 2.9644 3.0536 3.0536 5.2350 5.2350 5.3734 5.3734 5.7542 5.7542 7.9208 7.9208 8.2676 8.2676 9.9046 9.9046 10.0050 10.0050 10.6619 10.6619 k = 0.5724 0.0798 0.3223 ( 13763 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6734 -21.6734 -21.6733 -21.6733 -10.5410 -10.5410 -10.1372 -10.1372 -9.9973 -9.9973 -9.9798 -9.9798 -9.9310 -9.9310 -9.8952 -9.8952 -6.3671 -6.3671 -6.3656 -6.3656 -5.5075 -5.5075 -5.5044 -5.5044 -5.4880 -5.4880 -5.4861 -5.4861 -0.5480 -0.5480 0.0998 0.0998 0.3632 0.3632 0.5218 0.5218 0.6462 0.6462 0.7750 0.7750 0.8485 0.8485 1.1516 1.1516 1.2302 1.2302 1.8616 1.8616 2.0222 2.0222 2.0718 2.0718 2.4492 2.4492 2.5744 2.5744 2.6888 2.6888 2.8843 2.8843 2.9511 2.9511 3.0617 3.0617 5.2361 5.2361 5.3864 5.3864 5.7679 5.7679 7.8773 7.8773 8.2787 8.2787 9.9564 9.9564 10.0592 10.0592 10.6593 10.6593 k = 0.5789 0.0608 0.3330 ( 13760 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6734 -21.6734 -21.6733 -21.6733 -10.5387 -10.5387 -10.1372 -10.1372 -9.9992 -9.9992 -9.9789 -9.9789 -9.9326 -9.9326 -9.8965 -9.8965 -6.3664 -6.3664 -6.3650 -6.3650 -5.5059 -5.5059 -5.5032 -5.5032 -5.4881 -5.4881 -5.4859 -5.4859 -0.5349 -0.5349 0.0855 0.0855 0.3682 0.3682 0.5150 0.5150 0.6468 0.6468 0.8016 0.8016 0.8551 0.8551 1.1427 1.1427 1.2258 1.2258 1.8772 1.8772 2.0293 2.0293 2.0866 2.0866 2.4160 2.4160 2.5366 2.5366 2.6707 2.6707 2.8673 2.8673 2.9388 2.9388 3.0718 3.0718 5.2352 5.2352 5.4001 5.4001 5.7818 5.7818 7.8345 7.8345 8.2907 8.2907 10.0104 10.0104 10.1150 10.1150 10.6537 10.6537 k = 0.5855 0.0418 0.3438 ( 13776 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6735 -21.6735 -21.6733 -21.6733 -10.5364 -10.5364 -10.1372 -10.1372 -10.0010 -10.0010 -9.9781 -9.9781 -9.9344 -9.9344 -9.8976 -9.8976 -6.3657 -6.3657 -6.3645 -6.3645 -5.5044 -5.5044 -5.5021 -5.5021 -5.4883 -5.4883 -5.4855 -5.4855 -0.5226 -0.5226 0.0732 0.0732 0.3723 0.3723 0.5079 0.5079 0.6486 0.6486 0.8250 0.8250 0.8650 0.8650 1.1341 1.1341 1.2207 1.2207 1.8908 1.8908 2.0375 2.0375 2.1008 2.1008 2.3838 2.3838 2.4998 2.4998 2.6518 2.6518 2.8496 2.8496 2.9276 2.9276 3.0833 3.0833 5.2324 5.2324 5.4139 5.4139 5.7956 5.7956 7.7930 7.7930 8.3036 8.3036 10.0657 10.0657 10.1713 10.1713 10.6446 10.6446 k = 0.5921 0.0228 0.3545 ( 13768 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6735 -21.6735 -21.6733 -21.6733 -10.5343 -10.5343 -10.1370 -10.1370 -10.0027 -10.0027 -9.9771 -9.9771 -9.9364 -9.9364 -9.8986 -9.8986 -6.3651 -6.3651 -6.3640 -6.3640 -5.5029 -5.5029 -5.5011 -5.5011 -5.4884 -5.4884 -5.4852 -5.4852 -0.5113 -0.5113 0.0630 0.0630 0.3751 0.3751 0.5014 0.5014 0.6521 0.6521 0.8428 0.8428 0.8796 0.8796 1.1264 1.1264 1.2146 1.2146 1.9020 1.9020 2.0466 2.0466 2.1129 2.1129 2.3540 2.3540 2.4660 2.4660 2.6325 2.6325 2.8311 2.8311 2.9179 2.9179 3.0958 3.0958 5.2282 5.2282 5.4275 5.4275 5.8088 5.8088 7.7532 7.7532 8.3173 8.3173 10.1212 10.1212 10.2264 10.2264 10.6320 10.6320 k = 0.5987 0.0038 0.3653 ( 13763 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6735 -21.6735 -21.6733 -21.6733 -10.5325 -10.5325 -10.1366 -10.1366 -10.0044 -10.0044 -9.9762 -9.9762 -9.9384 -9.9384 -9.8995 -9.8995 -6.3646 -6.3646 -6.3635 -6.3635 -5.5017 -5.5017 -5.5002 -5.5002 -5.4886 -5.4886 -5.4847 -5.4847 -0.5016 -0.5016 0.0549 0.0549 0.3760 0.3760 0.4962 0.4962 0.6574 0.6574 0.8554 0.8554 0.8971 0.8971 1.1204 1.1204 1.2075 1.2075 1.9102 1.9102 2.0563 2.0563 2.1213 2.1213 2.3274 2.3274 2.4381 2.4381 2.6131 2.6131 2.8122 2.8122 2.9097 2.9097 3.1090 3.1090 5.2227 5.2227 5.4405 5.4405 5.8214 5.8214 7.7157 7.7157 8.3317 8.3317 10.1755 10.1755 10.2785 10.2785 10.6162 10.6162 k = 0.6053-0.0152 0.3760 ( 13766 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6735 -21.6735 -21.6732 -21.6732 -10.5309 -10.5309 -10.1359 -10.1359 -10.0060 -10.0060 -9.9753 -9.9753 -9.9405 -9.9405 -9.9002 -9.9002 -6.3642 -6.3642 -6.3630 -6.3630 -5.5006 -5.5006 -5.4995 -5.4995 -5.4887 -5.4887 -5.4843 -5.4843 -0.4937 -0.4937 0.0489 0.0489 0.3747 0.3747 0.4931 0.4931 0.6646 0.6646 0.8654 0.8654 0.9135 0.9135 1.1170 1.1170 1.1994 1.1994 1.9146 1.9146 2.0660 2.0660 2.1247 2.1247 2.3044 2.3044 2.4191 2.4191 2.5940 2.5940 2.7929 2.7929 2.9032 2.9032 3.1227 3.1227 5.2161 5.2161 5.4525 5.4525 5.8329 5.8329 7.6808 7.6808 8.3467 8.3467 10.2268 10.2268 10.3246 10.3246 10.5986 10.5986 k = 0.6118-0.0342 0.3868 ( 13769 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6735 -21.6735 -21.6732 -21.6732 -10.5296 -10.5296 -10.1350 -10.1350 -10.0075 -10.0075 -9.9744 -9.9744 -9.9424 -9.9424 -9.9009 -9.9009 -6.3640 -6.3640 -6.3625 -6.3625 -5.4997 -5.4997 -5.4989 -5.4989 -5.4888 -5.4888 -5.4838 -5.4838 -0.4880 -0.4880 0.0451 0.0451 0.3711 0.3711 0.4925 0.4925 0.6734 0.6734 0.8743 0.8743 0.9260 0.9260 1.1170 1.1170 1.1904 1.1904 1.9143 1.9143 2.0750 2.0750 2.1236 2.1236 2.2849 2.2849 2.4115 2.4115 2.5757 2.5757 2.7736 2.7736 2.8984 2.8984 3.1367 3.1367 5.2087 5.2087 5.4634 5.4634 5.8433 5.8433 7.6488 7.6488 8.3623 8.3623 10.2721 10.2721 10.3610 10.3610 10.5830 10.5830 k = 0.6184-0.0532 0.3975 ( 13757 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6736 -21.6736 -21.6732 -21.6732 -10.5287 -10.5287 -10.1338 -10.1338 -10.0088 -10.0088 -9.9735 -9.9735 -9.9442 -9.9442 -9.9016 -9.9016 -6.3638 -6.3638 -6.3620 -6.3620 -5.4994 -5.4994 -5.4983 -5.4983 -5.4889 -5.4889 -5.4833 -5.4833 -0.4847 -0.4847 0.0431 0.0431 0.3655 0.3655 0.4942 0.4942 0.6837 0.6837 0.8827 0.8827 0.9335 0.9335 1.1201 1.1201 1.1810 1.1810 1.9086 1.9086 2.0824 2.0824 2.1200 2.1200 2.2694 2.2694 2.4148 2.4148 2.5585 2.5585 2.7548 2.7548 2.8952 2.8952 3.1509 3.1509 5.2005 5.2005 5.4730 5.4730 5.8523 5.8523 7.6200 7.6200 8.3783 8.3783 10.3054 10.3054 10.3845 10.3845 10.5751 10.5751 k = 0.6250-0.0722 0.4082 ( 13766 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6736 -21.6736 -21.6732 -21.6732 -10.5283 -10.5283 -10.1322 -10.1322 -10.0100 -10.0100 -9.9727 -9.9727 -9.9457 -9.9457 -9.9022 -9.9022 -6.3638 -6.3638 -6.3616 -6.3616 -5.4994 -5.4994 -5.4977 -5.4977 -5.4890 -5.4890 -5.4827 -5.4827 -0.4839 -0.4839 0.0429 0.0429 0.3586 0.3586 0.4979 0.4979 0.6949 0.6949 0.8903 0.8903 0.9364 0.9364 1.1247 1.1247 1.1724 1.1724 1.8976 1.8976 2.0863 2.0863 2.1173 2.1173 2.2596 2.2596 2.4266 2.4266 2.5430 2.5430 2.7368 2.7368 2.8936 2.8936 3.1652 3.1652 5.1919 5.1919 5.4810 5.4810 5.8598 5.8598 7.5946 7.5946 8.3947 8.3947 10.3143 10.3143 10.4004 10.4004 10.5792 10.5792 k = 0.6250-0.0722 0.4082 ( 13766 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6736 -21.6736 -21.6732 -21.6732 -10.5283 -10.5283 -10.1322 -10.1322 -10.0100 -10.0100 -9.9727 -9.9727 -9.9457 -9.9457 -9.9022 -9.9022 -6.3638 -6.3638 -6.3616 -6.3616 -5.4994 -5.4994 -5.4977 -5.4977 -5.4890 -5.4890 -5.4827 -5.4827 -0.4839 -0.4839 0.0429 0.0429 0.3586 0.3586 0.4979 0.4979 0.6949 0.6949 0.8903 0.8903 0.9364 0.9364 1.1247 1.1247 1.1724 1.1724 1.8976 1.8976 2.0863 2.0863 2.1173 2.1173 2.2596 2.2596 2.4266 2.4266 2.5430 2.5430 2.7368 2.7368 2.8936 2.8936 3.1652 3.1652 5.1919 5.1919 5.4810 5.4810 5.8598 5.8598 7.5946 7.5946 8.3947 8.3947 10.3143 10.3143 10.4004 10.4004 10.5792 10.5792 k = 0.6136-0.0656 0.4268 ( 13757 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6736 -21.6736 -21.6732 -21.6732 -10.5283 -10.5283 -10.1323 -10.1323 -10.0101 -10.0101 -9.9726 -9.9726 -9.9459 -9.9459 -9.9021 -9.9021 -6.3638 -6.3638 -6.3616 -6.3616 -5.4993 -5.4993 -5.4976 -5.4976 -5.4890 -5.4890 -5.4828 -5.4828 -0.4832 -0.4832 0.0421 0.0421 0.3593 0.3593 0.4981 0.4981 0.6927 0.6927 0.8916 0.8916 0.9376 0.9376 1.1242 1.1242 1.1720 1.1720 1.8977 1.8977 2.0825 2.0825 2.1220 2.1220 2.2597 2.2597 2.4278 2.4278 2.5398 2.5398 2.7409 2.7409 2.8905 2.8905 3.1636 3.1636 5.1936 5.1936 5.4800 5.4800 5.8600 5.8600 7.5956 7.5956 8.3929 8.3929 10.3177 10.3177 10.4030 10.4030 10.5817 10.5817 k = 0.6023-0.0590 0.4454 ( 13765 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6736 -21.6736 -21.6732 -21.6732 -10.5280 -10.5280 -10.1326 -10.1326 -10.0102 -10.0102 -9.9722 -9.9722 -9.9463 -9.9463 -9.9020 -9.9020 -6.3638 -6.3638 -6.3616 -6.3616 -5.4992 -5.4992 -5.4975 -5.4975 -5.4890 -5.4890 -5.4829 -5.4829 -0.4813 -0.4813 0.0397 0.0397 0.3612 0.3612 0.4987 0.4987 0.6863 0.6863 0.8954 0.8954 0.9414 0.9414 1.1228 1.1228 1.1706 1.1706 1.8977 1.8977 2.0746 2.0746 2.1326 2.1326 2.2598 2.2598 2.4310 2.4310 2.5310 2.5310 2.7523 2.7523 2.8815 2.8815 3.1587 3.1587 5.1985 5.1985 5.4770 5.4770 5.8606 5.8606 7.5984 7.5984 8.3877 8.3877 10.3278 10.3278 10.4105 10.4105 10.5889 10.5889 k = 0.5909-0.0525 0.4639 ( 13761 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6736 -21.6736 -21.6732 -21.6732 -10.5276 -10.5276 -10.1332 -10.1332 -10.0103 -10.0103 -9.9715 -9.9715 -9.9470 -9.9470 -9.9018 -9.9018 -6.3637 -6.3637 -6.3616 -6.3616 -5.4989 -5.4989 -5.4973 -5.4973 -5.4890 -5.4890 -5.4831 -5.4831 -0.4783 -0.4783 0.0360 0.0360 0.3643 0.3643 0.4997 0.4997 0.6764 0.6764 0.9011 0.9011 0.9473 0.9473 1.1205 1.1205 1.1682 1.1682 1.8978 1.8978 2.0662 2.0662 2.1455 2.1455 2.2601 2.2601 2.4359 2.4359 2.5188 2.5188 2.7690 2.7690 2.8672 2.8672 3.1508 3.1508 5.2064 5.2064 5.4721 5.4721 5.8614 5.8614 7.6029 7.6029 8.3795 8.3795 10.3444 10.3444 10.4228 10.4228 10.6005 10.6005 k = 0.5795-0.0459 0.4825 ( 13763 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6736 -21.6736 -21.6732 -21.6732 -10.5271 -10.5271 -10.1340 -10.1340 -10.0105 -10.0105 -9.9706 -9.9706 -9.9479 -9.9479 -9.9015 -9.9015 -6.3635 -6.3635 -6.3616 -6.3616 -5.4986 -5.4986 -5.4970 -5.4970 -5.4889 -5.4889 -5.4835 -5.4835 -0.4742 -0.4742 0.0311 0.0311 0.3686 0.3686 0.5011 0.5011 0.6636 0.6636 0.9082 0.9082 0.9551 0.9551 1.1175 1.1175 1.1650 1.1650 1.8981 1.8981 2.0583 2.0583 2.1593 2.1593 2.2609 2.2609 2.4415 2.4415 2.5057 2.5057 2.7884 2.7884 2.8490 2.8490 3.1399 3.1399 5.2169 5.2169 5.4655 5.4655 5.8625 5.8625 7.6088 7.6088 8.3688 8.3688 10.3672 10.3672 10.4395 10.4395 10.6162 10.6162 k = 0.5682-0.0394 0.5010 ( 13764 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6735 -21.6735 -21.6732 -21.6732 -10.5265 -10.5265 -10.1349 -10.1349 -10.0108 -10.0108 -9.9695 -9.9695 -9.9491 -9.9491 -9.9012 -9.9012 -6.3634 -6.3634 -6.3616 -6.3616 -5.4981 -5.4981 -5.4967 -5.4967 -5.4889 -5.4889 -5.4838 -5.4838 -0.4694 -0.4694 0.0256 0.0256 0.3736 0.3736 0.5032 0.5032 0.6488 0.6488 0.9161 0.9161 0.9644 0.9644 1.1140 1.1140 1.1608 1.1608 1.8985 1.8985 2.0513 2.0513 2.1734 2.1734 2.2622 2.2622 2.4459 2.4459 2.4944 2.4944 2.8029 2.8029 2.8341 2.8341 3.1264 3.1264 5.2293 5.2293 5.4575 5.4575 5.8638 5.8638 7.6157 7.6157 8.3564 8.3564 10.3958 10.3958 10.4603 10.4603 10.6349 10.6349 k = 0.5568-0.0328 0.5196 ( 13766 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6735 -21.6735 -21.6732 -21.6732 -10.5258 -10.5258 -10.1358 -10.1358 -10.0110 -10.0110 -9.9682 -9.9682 -9.9503 -9.9503 -9.9009 -9.9009 -6.3632 -6.3632 -6.3616 -6.3616 -5.4977 -5.4977 -5.4963 -5.4963 -5.4888 -5.4888 -5.4843 -5.4843 -0.4642 -0.4642 0.0197 0.0197 0.3792 0.3792 0.5060 0.5060 0.6326 0.6326 0.9240 0.9240 0.9749 0.9749 1.1102 1.1102 1.1557 1.1557 1.8991 1.8991 2.0451 2.0451 2.1873 2.1873 2.2640 2.2640 2.4456 2.4456 2.4889 2.4889 2.7903 2.7903 2.8453 2.8453 3.1104 3.1104 5.2431 5.2431 5.4484 5.4484 5.8651 5.8651 7.6231 7.6231 8.3433 8.3433 10.4294 10.4294 10.4845 10.4845 10.6555 10.6555 k = 0.5455-0.0262 0.5381 ( 13764 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6735 -21.6735 -21.6732 -21.6732 -10.5252 -10.5252 -10.1368 -10.1368 -10.0112 -10.0112 -9.9669 -9.9669 -9.9517 -9.9517 -9.9007 -9.9007 -6.3630 -6.3630 -6.3616 -6.3616 -5.4972 -5.4972 -5.4960 -5.4960 -5.4886 -5.4886 -5.4848 -5.4848 -0.4590 -0.4590 0.0140 0.0140 0.3849 0.3849 0.5098 0.5098 0.6159 0.6159 0.9312 0.9312 0.9860 0.9860 1.1067 1.1067 1.1497 1.1497 1.9000 1.9000 2.0401 2.0401 2.2009 2.2009 2.2660 2.2660 2.4395 2.4395 2.4902 2.4902 2.7661 2.7661 2.8681 2.8681 3.0926 3.0926 5.2573 5.2573 5.4387 5.4387 5.8664 5.8664 7.6303 7.6303 8.3305 8.3305 10.4672 10.4672 10.5114 10.5114 10.6758 10.6758 k = 0.5341-0.0197 0.5567 ( 13761 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6735 -21.6735 -21.6733 -21.6733 -10.5245 -10.5245 -10.1377 -10.1377 -10.0114 -10.0114 -9.9655 -9.9655 -9.9532 -9.9532 -9.9004 -9.9004 -6.3627 -6.3627 -6.3616 -6.3616 -5.4967 -5.4967 -5.4956 -5.4956 -5.4885 -5.4885 -5.4854 -5.4854 -0.4542 -0.4542 0.0089 0.0089 0.3903 0.3903 0.5150 0.5150 0.5991 0.5991 0.9372 0.9372 0.9967 0.9967 1.1043 1.1043 1.1428 1.1428 1.9009 1.9009 2.0361 2.0361 2.2138 2.2138 2.2674 2.2674 2.4312 2.4312 2.4946 2.4946 2.7423 2.7423 2.8920 2.8920 3.0734 3.0734 5.2708 5.2708 5.4292 5.4292 5.8675 5.8675 7.6368 7.6368 8.3191 8.3191 10.5078 10.5078 10.5401 10.5401 10.6922 10.6922 k = 0.5227-0.0131 0.5753 ( 13764 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6734 -21.6734 -21.6733 -21.6733 -10.5240 -10.5240 -10.1384 -10.1384 -10.0115 -10.0115 -9.9642 -9.9642 -9.9545 -9.9545 -9.9002 -9.9002 -6.3625 -6.3625 -6.3617 -6.3617 -5.4963 -5.4963 -5.4954 -5.4954 -5.4882 -5.4882 -5.4859 -5.4859 -0.4502 -0.4502 0.0049 0.0049 0.3947 0.3947 0.5217 0.5217 0.5832 0.5832 0.9417 0.9417 1.0058 1.0058 1.1043 1.1043 1.1352 1.1352 1.9018 1.9018 2.0332 2.0332 2.2259 2.2259 2.2670 2.2670 2.4238 2.4238 2.4986 2.4986 2.7229 2.7229 2.9145 2.9145 3.0544 3.0544 5.2824 5.2824 5.4208 5.4208 5.8684 5.8684 7.6420 7.6420 8.3100 8.3100 10.5495 10.5495 10.5696 10.5696 10.6969 10.6969 k = 0.5114-0.0066 0.5938 ( 13756 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6734 -21.6734 -21.6733 -21.6733 -10.5236 -10.5236 -10.1389 -10.1389 -10.0116 -10.0116 -9.9632 -9.9632 -9.9556 -9.9556 -9.9001 -9.9001 -6.3623 -6.3623 -6.3618 -6.3618 -5.4960 -5.4960 -5.4952 -5.4952 -5.4880 -5.4880 -5.4863 -5.4863 -0.4475 -0.4475 0.0023 0.0023 0.3976 0.3976 0.5293 0.5293 0.5696 0.5696 0.9445 0.9445 1.0117 1.0117 1.1075 1.1075 1.1270 1.1270 1.9025 1.9025 2.0315 2.0315 2.2369 2.2369 2.2638 2.2638 2.4191 2.4191 2.5004 2.5004 2.7104 2.7104 2.9326 2.9326 3.0383 3.0383 5.2904 5.2904 5.4149 5.4149 5.8690 5.8690 7.6453 7.6453 8.3042 8.3042 10.5889 10.5889 10.5993 10.5993 10.6777 10.6777 k = 0.5000-0.0000 0.6124 ( 13808 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6734 -21.6734 -21.6734 -21.6734 -10.5235 -10.5235 -10.1391 -10.1391 -10.0116 -10.0116 -9.9628 -9.9628 -9.9560 -9.9560 -9.9001 -9.9001 -6.3621 -6.3621 -6.3619 -6.3619 -5.4959 -5.4959 -5.4952 -5.4952 -5.4879 -5.4879 -5.4865 -5.4865 -0.4466 -0.4466 0.0013 0.0013 0.3986 0.3986 0.5338 0.5338 0.5630 0.5630 0.9454 0.9454 1.0136 1.0136 1.1120 1.1120 1.1210 1.1210 1.9028 1.9028 2.0309 2.0309 2.2435 2.2435 2.2599 2.2599 2.4175 2.4175 2.5007 2.5007 2.7063 2.7063 2.9403 2.9403 3.0312 3.0312 5.2933 5.2933 5.4128 5.4128 5.8692 5.8692 7.6464 7.6464 8.3021 8.3021 10.6174 10.6174 10.6209 10.6209 10.6430 10.6430 k = 0.5000-0.0000 0.6124 ( 13808 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6734 -21.6734 -21.6734 -21.6734 -10.5235 -10.5235 -10.1391 -10.1391 -10.0116 -10.0116 -9.9628 -9.9628 -9.9560 -9.9560 -9.9001 -9.9001 -6.3621 -6.3621 -6.3619 -6.3619 -5.4959 -5.4959 -5.4952 -5.4952 -5.4879 -5.4879 -5.4865 -5.4865 -0.4466 -0.4466 0.0013 0.0013 0.3986 0.3986 0.5338 0.5338 0.5630 0.5630 0.9454 0.9454 1.0136 1.0136 1.1120 1.1120 1.1210 1.1210 1.9028 1.9028 2.0309 2.0309 2.2435 2.2435 2.2599 2.2599 2.4175 2.4175 2.5007 2.5007 2.7063 2.7063 2.9403 2.9403 3.0312 3.0312 5.2933 5.2933 5.4128 5.4128 5.8692 5.8692 7.6464 7.6464 8.3021 8.3021 10.6174 10.6174 10.6209 10.6209 10.6430 10.6430 k = 0.5000 0.0131 0.5938 ( 13764 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6734 -21.6734 -21.6734 -21.6734 -10.5237 -10.5237 -10.1391 -10.1391 -10.0114 -10.0114 -9.9635 -9.9635 -9.9551 -9.9551 -9.9000 -9.9000 -6.3621 -6.3621 -6.3620 -6.3620 -5.4960 -5.4960 -5.4953 -5.4953 -5.4878 -5.4878 -5.4865 -5.4865 -0.4476 -0.4476 0.0021 0.0021 0.3985 0.3985 0.5334 0.5334 0.5637 0.5637 0.9433 0.9433 1.0122 1.0122 1.1024 1.1024 1.1320 1.1320 1.9037 1.9037 2.0317 2.0317 2.2375 2.2375 2.2626 2.2626 2.4204 2.4204 2.5018 2.5018 2.7097 2.7097 2.9403 2.9403 3.0311 3.0311 5.2930 5.2930 5.4124 5.4124 5.8681 5.8681 7.6487 7.6487 8.3018 8.3018 10.5702 10.5702 10.6191 10.6191 10.6749 10.6749 k = 0.5000 0.0262 0.5753 ( 13764 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6734 -21.6734 -21.6734 -21.6734 -10.5242 -10.5242 -10.1391 -10.1391 -10.0110 -10.0110 -9.9652 -9.9652 -9.9531 -9.9531 -9.9000 -9.9000 -6.3623 -6.3623 -6.3621 -6.3621 -5.4963 -5.4963 -5.4956 -5.4956 -5.4878 -5.4878 -5.4865 -5.4865 -0.4507 -0.4507 0.0045 0.0045 0.3982 0.3982 0.5324 0.5324 0.5657 0.5657 0.9374 0.9374 1.0069 1.0069 1.0929 1.0929 1.1466 1.1466 1.9061 1.9061 2.0341 2.0341 2.2248 2.2248 2.2660 2.2660 2.4285 2.4285 2.5060 2.5060 2.7193 2.7193 2.9404 2.9404 3.0308 3.0308 5.2922 5.2922 5.4111 5.4111 5.8651 5.8651 7.6554 7.6554 8.3006 8.3006 10.5133 10.5133 10.5877 10.5877 10.7153 10.7153 k = 0.5000 0.0394 0.5567 ( 13768 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6734 -21.6734 -21.6734 -21.6734 -10.5251 -10.5251 -10.1390 -10.1390 -10.0103 -10.0103 -9.9671 -9.9671 -9.9507 -9.9507 -9.8998 -9.8998 -6.3625 -6.3625 -6.3623 -6.3623 -5.4969 -5.4969 -5.4962 -5.4962 -5.4878 -5.4878 -5.4865 -5.4865 -0.4557 -0.4557 0.0085 0.0085 0.3976 0.3976 0.5309 0.5309 0.5690 0.5690 0.9284 0.9284 0.9962 0.9962 1.0887 1.0887 1.1608 1.1608 1.9086 1.9086 2.0386 2.0386 2.2089 2.2089 2.2682 2.2682 2.4400 2.4400 2.5144 2.5144 2.7339 2.7339 2.9406 2.9406 3.0303 3.0303 5.2908 5.2908 5.4091 5.4091 5.8601 5.8601 7.6666 7.6666 8.2988 8.2988 10.4530 10.4530 10.5424 10.5424 10.7489 10.7489 k = 0.5000 0.0525 0.5381 ( 13768 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6734 -21.6734 -21.6734 -21.6734 -10.5264 -10.5264 -10.1389 -10.1389 -10.0093 -10.0093 -9.9690 -9.9690 -9.9481 -9.9481 -9.8996 -9.8996 -6.3628 -6.3628 -6.3625 -6.3625 -5.4977 -5.4977 -5.4969 -5.4969 -5.4877 -5.4877 -5.4865 -5.4865 -0.4627 -0.4627 0.0140 0.0140 0.3965 0.3965 0.5291 0.5291 0.5736 0.5736 0.9172 0.9172 0.9798 0.9798 1.0898 1.0898 1.1739 1.1739 1.9099 1.9099 2.0453 2.0453 2.1912 2.1912 2.2704 2.2704 2.4539 2.4539 2.5279 2.5279 2.7523 2.7523 2.9409 2.9409 3.0296 3.0296 5.2888 5.2888 5.4062 5.4062 5.8533 5.8533 7.6821 7.6821 8.2963 8.2963 10.3904 10.3904 10.4887 10.4887 10.7744 10.7744 k = 0.5000 0.0656 0.5196 ( 13756 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6734 -21.6734 -21.6734 -21.6734 -10.5279 -10.5279 -10.1387 -10.1387 -10.0081 -10.0081 -9.9708 -9.9708 -9.9454 -9.9454 -9.8994 -9.8994 -6.3633 -6.3633 -6.3629 -6.3629 -5.4987 -5.4987 -5.4977 -5.4977 -5.4877 -5.4877 -5.4864 -5.4864 -0.4713 -0.4713 0.0212 0.0212 0.3947 0.3947 0.5275 0.5275 0.5795 0.5795 0.9044 0.9044 0.9592 0.9592 1.0949 1.0949 1.1858 1.1858 1.9088 1.9088 2.0526 2.0526 2.1724 2.1724 2.2751 2.2751 2.4696 2.4696 2.5461 2.5461 2.7730 2.7730 2.9414 2.9414 3.0288 3.0288 5.2862 5.2862 5.4026 5.4026 5.8447 5.8447 7.7017 7.7017 8.2930 8.2930 10.3266 10.3266 10.4300 10.4300 10.7915 10.7915 k = 0.5000 0.0787 0.5010 ( 13760 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6734 -21.6734 -21.6734 -21.6734 -10.5297 -10.5297 -10.1386 -10.1386 -10.0066 -10.0066 -9.9725 -9.9725 -9.9427 -9.9427 -9.8990 -9.8990 -6.3638 -6.3638 -6.3632 -6.3632 -5.4998 -5.4998 -5.4986 -5.4986 -5.4877 -5.4877 -5.4864 -5.4864 -0.4815 -0.4815 0.0299 0.0299 0.3921 0.3921 0.5263 0.5263 0.5865 0.5865 0.8902 0.8902 0.9364 0.9364 1.1025 1.1025 1.1964 1.1964 1.9053 1.9053 2.0585 2.0585 2.1530 2.1530 2.2853 2.2853 2.4872 2.4872 2.5678 2.5678 2.7951 2.7951 2.9422 2.9422 3.0279 3.0279 5.2830 5.2830 5.3983 5.3983 5.8345 5.8345 7.7254 7.7254 8.2892 8.2892 10.2624 10.2624 10.3685 10.3685 10.8002 10.8002 k = 0.5000 0.0919 0.4825 ( 13760 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6734 -21.6734 -21.6734 -21.6734 -10.5317 -10.5317 -10.1384 -10.1384 -10.0050 -10.0050 -9.9741 -9.9741 -9.9401 -9.9401 -9.8985 -9.8985 -6.3643 -6.3643 -6.3636 -6.3636 -5.5012 -5.5012 -5.4996 -5.4996 -5.4876 -5.4876 -5.4865 -5.4865 -0.4930 -0.4930 0.0401 0.0401 0.3885 0.3885 0.5258 0.5258 0.5944 0.5944 0.8741 0.8741 0.9135 0.9135 1.1115 1.1115 1.2055 1.2055 1.8995 1.8995 2.0606 2.0606 2.1333 2.1333 2.3031 2.3031 2.5069 2.5069 2.5916 2.5916 2.8178 2.8178 2.9433 2.9433 3.0270 3.0270 5.2792 5.2792 5.3932 5.3932 5.8230 5.8230 7.7527 7.7527 8.2847 8.2847 10.1985 10.1985 10.3057 10.3057 10.8009 10.8009 k = 0.5000 0.1050 0.4639 ( 13750 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6734 -21.6734 -21.6734 -21.6734 -10.5338 -10.5338 -10.1382 -10.1382 -10.0033 -10.0033 -9.9756 -9.9756 -9.9375 -9.9375 -9.8979 -9.8979 -6.3650 -6.3650 -6.3641 -6.3641 -5.5027 -5.5027 -5.5007 -5.5007 -5.4876 -5.4876 -5.4865 -5.4865 -0.5056 -0.5056 0.0519 0.0519 0.3839 0.3839 0.5261 0.5261 0.6030 0.6030 0.8545 0.8545 0.8930 0.8930 1.1214 1.1214 1.2133 1.2133 1.8916 1.8916 2.0583 2.0583 2.1140 2.1140 2.3287 2.3287 2.5284 2.5284 2.6163 2.6163 2.8405 2.8405 2.9449 2.9449 3.0263 3.0263 5.2746 5.2746 5.3875 5.3875 5.8103 5.8103 7.7834 7.7834 8.2796 8.2796 10.1356 10.1356 10.2427 10.2427 10.7939 10.7939 k = 0.5000 0.1181 0.4454 ( 13766 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6734 -21.6734 -21.6734 -21.6734 -10.5361 -10.5361 -10.1380 -10.1380 -10.0015 -10.0015 -9.9769 -9.9769 -9.9352 -9.9352 -9.8971 -9.8971 -6.3657 -6.3657 -6.3646 -6.3646 -5.5042 -5.5042 -5.5019 -5.5019 -5.4876 -5.4876 -5.4865 -5.4865 -0.5189 -0.5189 0.0652 0.0652 0.3786 0.3786 0.5272 0.5272 0.6121 0.6121 0.8305 0.8305 0.8769 0.8769 1.1315 1.1315 1.2198 1.2198 1.8818 1.8818 2.0522 2.0522 2.0956 2.0956 2.3606 2.3606 2.5516 2.5516 2.6411 2.6411 2.8625 2.8625 2.9472 2.9472 3.0259 3.0259 5.2694 5.2694 5.3813 5.3813 5.7968 5.7968 7.8171 7.8171 8.2741 8.2741 10.0743 10.0743 10.1805 10.1805 10.7810 10.7810 k = 0.5000 0.1312 0.4268 ( 13776 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6734 -21.6734 -21.6734 -21.6734 -10.5385 -10.5385 -10.1377 -10.1377 -9.9996 -9.9996 -9.9781 -9.9781 -9.9331 -9.9331 -9.8961 -9.8961 -6.3664 -6.3664 -6.3651 -6.3651 -5.5058 -5.5058 -5.5031 -5.5031 -5.4876 -5.4876 -5.4866 -5.4866 -0.5328 -0.5328 0.0799 0.0799 0.3726 0.3726 0.5290 0.5290 0.6212 0.6212 0.8031 0.8031 0.8649 0.8649 1.1416 1.1416 1.2252 1.2252 1.8701 1.8701 2.0439 2.0439 2.0786 2.0786 2.3967 2.3967 2.5762 2.5762 2.6649 2.6649 2.8835 2.8835 2.9505 2.9505 3.0260 3.0260 5.2633 5.2633 5.3746 5.3746 5.7828 5.7828 7.8534 7.8534 8.2682 8.2682 10.0152 10.0152 10.1198 10.1198 10.7657 10.7657 k = 0.5000 0.1443 0.4082 ( 13788 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6734 -21.6734 -21.6734 -21.6734 -10.5409 -10.5409 -10.1375 -10.1375 -9.9976 -9.9976 -9.9792 -9.9792 -9.9313 -9.9313 -9.8950 -9.8950 -6.3671 -6.3671 -6.3656 -6.3656 -5.5074 -5.5074 -5.5043 -5.5043 -5.4876 -5.4876 -5.4866 -5.4866 -0.5468 -0.5468 0.0961 0.0961 0.3664 0.3664 0.5312 0.5312 0.6295 0.6295 0.7745 0.7745 0.8558 0.8558 1.1513 1.1513 1.2298 1.2298 1.8565 1.8565 2.0348 2.0348 2.0635 2.0635 2.4346 2.4346 2.6017 2.6017 2.6873 2.6873 2.9025 2.9025 2.9555 2.9555 3.0267 3.0267 5.2564 5.2564 5.3676 5.3676 5.7686 5.7686 7.8918 7.8918 8.2621 8.2621 9.9587 9.9587 10.0613 10.0613 10.7494 10.7494 k = 0.5000 0.1575 0.3897 ( 13776 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6734 -21.6734 -21.6734 -21.6734 -10.5433 -10.5433 -10.1373 -10.1373 -9.9957 -9.9957 -9.9802 -9.9802 -9.9297 -9.9297 -9.8937 -9.8937 -6.3678 -6.3678 -6.3661 -6.3661 -5.5091 -5.5091 -5.5055 -5.5055 -5.4876 -5.4876 -5.4867 -5.4867 -0.5608 -0.5608 0.1137 0.1137 0.3600 0.3600 0.5337 0.5337 0.6357 0.6357 0.7467 0.7467 0.8491 0.8491 1.1602 1.1602 1.2337 1.2337 1.8412 1.8412 2.0260 2.0260 2.0503 2.0503 2.4726 2.4726 2.6280 2.6280 2.7075 2.7075 2.9184 2.9184 2.9632 2.9632 3.0284 3.0284 5.2487 5.2487 5.3605 5.3605 5.7546 5.7546 7.9316 7.9316 8.2558 8.2558 9.9054 9.9054 10.0056 10.0056 10.7328 10.7328 k = 0.5000 0.1706 0.3711 ( 13778 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6734 -21.6734 -21.6734 -21.6734 -10.5456 -10.5456 -10.1370 -10.1370 -9.9939 -9.9939 -9.9810 -9.9810 -9.9285 -9.9285 -9.8923 -9.8923 -6.3685 -6.3685 -6.3666 -6.3666 -5.5106 -5.5106 -5.5067 -5.5067 -5.4877 -5.4877 -5.4867 -5.4867 -0.5745 -0.5745 0.1325 0.1325 0.3539 0.3539 0.5362 0.5362 0.6368 0.6368 0.7229 0.7229 0.8445 0.8445 1.1682 1.1682 1.2372 1.2372 1.8245 1.8245 2.0183 2.0183 2.0388 2.0388 2.5091 2.5091 2.6543 2.6543 2.7253 2.7253 2.9299 2.9299 2.9746 2.9746 3.0314 3.0314 5.2402 5.2402 5.3533 5.3533 5.7410 5.7410 7.9721 7.9721 8.2494 8.2494 9.8557 9.8557 9.9532 9.9532 10.7162 10.7162 k = 0.5000 0.1837 0.3526 ( 13786 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6734 -21.6734 -21.6734 -21.6734 -10.5478 -10.5478 -10.1368 -10.1368 -9.9921 -9.9921 -9.9818 -9.9818 -9.9275 -9.9275 -9.8908 -9.8908 -6.3692 -6.3692 -6.3671 -6.3671 -5.5121 -5.5121 -5.5079 -5.5079 -5.4877 -5.4877 -5.4868 -5.4868 -0.5875 -0.5875 0.1525 0.1525 0.3483 0.3483 0.5387 0.5387 0.6280 0.6280 0.7079 0.7079 0.8420 0.8420 1.1750 1.1750 1.2405 1.2405 1.8070 1.8070 2.0117 2.0117 2.0292 2.0292 2.5431 2.5431 2.6797 2.6797 2.7407 2.7407 2.9371 2.9371 2.9890 2.9890 3.0361 3.0361 5.2311 5.2311 5.3464 5.3464 5.7282 5.7282 8.0125 8.0125 8.2432 8.2432 9.8101 9.8101 9.9045 9.9045 10.6999 10.6999 k = 0.5000 0.1968 0.3340 ( 13788 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6734 -21.6734 -21.6734 -21.6734 -10.5498 -10.5498 -10.1366 -10.1366 -9.9904 -9.9904 -9.9825 -9.9825 -9.9267 -9.9267 -9.8893 -9.8893 -6.3699 -6.3699 -6.3675 -6.3675 -5.5135 -5.5135 -5.5089 -5.5089 -5.4877 -5.4877 -5.4868 -5.4868 -0.5996 -0.5996 0.1735 0.1735 0.3434 0.3434 0.5409 0.5409 0.6078 0.6078 0.7034 0.7034 0.8412 0.8412 1.1804 1.1804 1.2438 1.2438 1.7894 1.7894 2.0059 2.0059 2.0215 2.0215 2.5742 2.5742 2.7027 2.7027 2.7544 2.7544 2.9413 2.9413 3.0041 3.0041 3.0432 3.0432 5.2215 5.2215 5.3399 5.3399 5.7165 5.7165 8.0521 8.0521 8.2372 8.2372 9.7688 9.7688 9.8602 9.8602 10.6847 10.6847 k = 0.5000 0.2099 0.3155 ( 13788 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6734 -21.6734 -21.6734 -21.6734 -10.5517 -10.5517 -10.1363 -10.1363 -9.9889 -9.9889 -9.9830 -9.9830 -9.9262 -9.9262 -9.8878 -9.8878 -6.3704 -6.3704 -6.3679 -6.3679 -5.5148 -5.5148 -5.5099 -5.5099 -5.4878 -5.4878 -5.4869 -5.4869 -0.6106 -0.6106 0.1951 0.1951 0.3395 0.3395 0.5427 0.5427 0.5808 0.5808 0.7047 0.7047 0.8419 0.8419 1.1845 1.1845 1.2471 1.2471 1.7723 1.7723 2.0006 2.0006 2.0160 2.0160 2.6022 2.6022 2.7211 2.7211 2.7677 2.7677 2.9436 2.9436 3.0174 3.0174 3.0532 3.0532 5.2118 5.2118 5.3340 5.3340 5.7060 5.7060 8.0896 8.0896 8.2317 8.2317 9.7323 9.7323 9.8205 9.8205 10.6713 10.6713 k = 0.5000 0.2231 0.2969 ( 13782 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6734 -21.6734 -21.6734 -21.6734 -10.5533 -10.5533 -10.1362 -10.1362 -9.9876 -9.9876 -9.9835 -9.9835 -9.9258 -9.9258 -9.8865 -9.8865 -6.3710 -6.3710 -6.3683 -6.3683 -5.5159 -5.5159 -5.5107 -5.5107 -5.4878 -5.4878 -5.4869 -5.4869 -0.6202 -0.6202 0.2170 0.2170 0.3371 0.3371 0.5435 0.5435 0.5519 0.5519 0.7080 0.7080 0.8438 0.8438 1.1874 1.1874 1.2503 1.2503 1.7566 1.7566 1.9956 1.9956 2.0125 2.0125 2.6271 2.6271 2.7329 2.7329 2.7820 2.7820 2.9447 2.9447 3.0276 3.0276 3.0659 3.0659 5.2023 5.2023 5.3288 5.3288 5.6970 5.6970 8.1240 8.1240 8.2267 8.2267 9.7009 9.7009 9.7861 9.7861 10.6601 10.6601 k = 0.5000 0.2362 0.2784 ( 13784 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6734 -21.6734 -21.6734 -21.6734 -10.5547 -10.5547 -10.1360 -10.1360 -9.9864 -9.9864 -9.9838 -9.9838 -9.9256 -9.9256 -9.8853 -9.8853 -6.3714 -6.3714 -6.3686 -6.3686 -5.5169 -5.5169 -5.5114 -5.5114 -5.4878 -5.4878 -5.4869 -5.4869 -0.6284 -0.6284 0.2381 0.2381 0.3369 0.3369 0.5202 0.5202 0.5461 0.5461 0.7115 0.7115 0.8463 0.8463 1.1893 1.1893 1.2533 1.2533 1.7428 1.7428 1.9911 1.9911 2.0105 2.0105 2.6490 2.6490 2.7383 2.7383 2.7967 2.7967 2.9449 2.9449 3.0350 3.0350 3.0798 3.0798 5.1935 5.1935 5.3244 5.3244 5.6896 5.6896 8.1543 8.1543 8.2225 8.2225 9.6749 9.6749 9.7572 9.7572 10.6516 10.6516 k = 0.5000 0.2493 0.2598 ( 13794 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6734 -21.6734 -21.6734 -21.6734 -10.5558 -10.5558 -10.1359 -10.1359 -9.9855 -9.9855 -9.9841 -9.9841 -9.9254 -9.9254 -9.8843 -9.8843 -6.3718 -6.3718 -6.3688 -6.3688 -5.5176 -5.5176 -5.5120 -5.5120 -5.4879 -5.4879 -5.4869 -5.4869 -0.6349 -0.6349 0.2569 0.2569 0.3400 0.3400 0.4905 0.4905 0.5469 0.5469 0.7144 0.7144 0.8490 0.8490 1.1905 1.1905 1.2559 1.2559 1.7315 1.7315 1.9873 1.9873 2.0094 2.0094 2.6679 2.6679 2.7389 2.7389 2.8099 2.8099 2.9446 2.9446 3.0404 3.0404 3.0925 3.0925 5.1861 5.1861 5.3210 5.3210 5.6837 5.6837 8.1791 8.1791 8.2192 8.2192 9.6543 9.6543 9.7342 9.7342 10.6461 10.6461 k = 0.5000 0.2624 0.2412 ( 13790 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6734 -21.6734 -21.6734 -21.6734 -10.5565 -10.5565 -10.1358 -10.1358 -9.9849 -9.9849 -9.9843 -9.9843 -9.9253 -9.9253 -9.8836 -9.8836 -6.3720 -6.3720 -6.3690 -6.3690 -5.5182 -5.5182 -5.5124 -5.5124 -5.4879 -5.4879 -5.4870 -5.4870 -0.6396 -0.6396 0.2712 0.2712 0.3477 0.3477 0.4627 0.4627 0.5475 0.5475 0.7166 0.7166 0.8513 0.8513 1.1911 1.1911 1.2578 1.2578 1.7231 1.7231 1.9846 1.9846 2.0088 2.0088 2.6837 2.6837 2.7363 2.7363 2.8202 2.8202 2.9442 2.9442 3.0441 3.0441 3.1027 3.1027 5.1803 5.1803 5.3184 5.3184 5.6795 5.6795 8.1973 8.1973 8.2172 8.2172 9.6396 9.6396 9.7175 9.7175 10.6438 10.6438 k = 0.5000 0.2756 0.2227 ( 13790 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6734 -21.6734 -21.6734 -21.6734 -10.5570 -10.5570 -10.1357 -10.1357 -9.9847 -9.9847 -9.9842 -9.9842 -9.9253 -9.9253 -9.8831 -9.8831 -6.3722 -6.3722 -6.3691 -6.3691 -5.5185 -5.5185 -5.5127 -5.5127 -5.4879 -5.4879 -5.4870 -5.4870 -0.6424 -0.6424 0.2795 0.2795 0.3590 0.3590 0.4396 0.4396 0.5479 0.5479 0.7179 0.7179 0.8528 0.8528 1.1914 1.1914 1.2591 1.2591 1.7179 1.7179 1.9829 1.9829 2.0086 2.0086 2.6954 2.6954 2.7323 2.7323 2.8266 2.8266 2.9437 2.9437 3.0463 3.0463 3.1092 3.1092 5.1767 5.1767 5.3169 5.3169 5.6770 5.6770 8.2073 8.2073 8.2172 8.2172 9.6306 9.6306 9.7074 9.7074 10.6446 10.6446 k = 0.5000 0.2887 0.2041 ( 13798 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6734 -21.6734 -21.6734 -21.6734 -10.5572 -10.5572 -10.1357 -10.1357 -9.9846 -9.9846 -9.9841 -9.9841 -9.9253 -9.9253 -9.8830 -9.8830 -6.3722 -6.3722 -6.3692 -6.3692 -5.5186 -5.5186 -5.5128 -5.5128 -5.4879 -5.4879 -5.4870 -5.4870 -0.6434 -0.6434 0.2820 0.2820 0.3657 0.3657 0.4291 0.4291 0.5480 0.5480 0.7184 0.7184 0.8534 0.8534 1.1915 1.1915 1.2595 1.2595 1.7162 1.7162 1.9823 1.9823 2.0085 2.0085 2.7003 2.7003 2.7299 2.7299 2.8288 2.8288 2.9436 2.9436 3.0470 3.0470 3.1114 3.1114 5.1754 5.1754 5.3164 5.3164 5.6762 5.6762 8.2095 8.2095 8.2184 8.2184 9.6277 9.6277 9.7040 9.7040 10.6459 10.6472 k = 0.5000 0.2887 0.2041 ( 13798 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6734 -21.6734 -21.6734 -21.6734 -10.5572 -10.5572 -10.1357 -10.1357 -9.9846 -9.9846 -9.9841 -9.9841 -9.9253 -9.9253 -9.8830 -9.8830 -6.3722 -6.3722 -6.3692 -6.3692 -5.5186 -5.5186 -5.5128 -5.5128 -5.4879 -5.4879 -5.4870 -5.4870 -0.6434 -0.6434 0.2820 0.2820 0.3657 0.3657 0.4291 0.4291 0.5480 0.5480 0.7184 0.7184 0.8534 0.8534 1.1915 1.1915 1.2595 1.2595 1.7162 1.7162 1.9823 1.9823 2.0085 2.0085 2.7003 2.7003 2.7299 2.7299 2.8288 2.8288 2.9436 2.9436 3.0470 3.0470 3.1114 3.1114 5.1754 5.1754 5.3164 5.3164 5.6762 5.6762 8.2095 8.2095 8.2184 8.2184 9.6277 9.6277 9.7040 9.7040 10.6458 10.6477 k = 0.4934 0.2849 0.2256 ( 13788 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6734 -21.6734 -21.6734 -21.6734 -10.5570 -10.5570 -10.1357 -10.1357 -9.9847 -9.9847 -9.9842 -9.9842 -9.9253 -9.9253 -9.8831 -9.8831 -6.3722 -6.3722 -6.3691 -6.3691 -5.5185 -5.5185 -5.5127 -5.5127 -5.4879 -5.4879 -5.4870 -5.4870 -0.6424 -0.6424 0.2795 0.2795 0.3590 0.3590 0.4396 0.4396 0.5479 0.5479 0.7179 0.7179 0.8528 0.8528 1.1914 1.1914 1.2591 1.2591 1.7179 1.7179 1.9829 1.9829 2.0086 2.0086 2.6954 2.6954 2.7323 2.7323 2.8266 2.8266 2.9437 2.9437 3.0463 3.0463 3.1092 3.1092 5.1767 5.1767 5.3169 5.3169 5.6770 5.6770 8.2073 8.2073 8.2172 8.2172 9.6307 9.6307 9.7074 9.7074 10.6445 10.6445 k = 0.4868 0.2811 0.2471 ( 13792 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6734 -21.6734 -21.6734 -21.6734 -10.5565 -10.5565 -10.1358 -10.1358 -9.9849 -9.9849 -9.9843 -9.9843 -9.9253 -9.9253 -9.8836 -9.8836 -6.3720 -6.3720 -6.3690 -6.3690 -5.5182 -5.5182 -5.5124 -5.5124 -5.4879 -5.4879 -5.4870 -5.4870 -0.6396 -0.6396 0.2712 0.2712 0.3477 0.3477 0.4628 0.4628 0.5475 0.5475 0.7166 0.7166 0.8513 0.8513 1.1911 1.1911 1.2578 1.2578 1.7232 1.7232 1.9846 1.9846 2.0088 2.0088 2.6836 2.6836 2.7364 2.7364 2.8201 2.8201 2.9442 2.9442 3.0440 3.0440 3.1026 3.1026 5.1803 5.1803 5.3185 5.3185 5.6795 5.6795 8.1972 8.1972 8.2172 8.2172 9.6396 9.6396 9.7176 9.7176 10.6428 10.6428 k = 0.4803 0.2773 0.2686 ( 13784 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6734 -21.6734 -21.6734 -21.6734 -10.5557 -10.5557 -10.1359 -10.1359 -9.9855 -9.9855 -9.9841 -9.9841 -9.9254 -9.9254 -9.8843 -9.8843 -6.3718 -6.3718 -6.3688 -6.3688 -5.5176 -5.5176 -5.5120 -5.5120 -5.4879 -5.4879 -5.4869 -5.4869 -0.6348 -0.6348 0.2568 0.2568 0.3399 0.3399 0.4908 0.4908 0.5469 0.5469 0.7144 0.7144 0.8489 0.8489 1.1904 1.1904 1.2558 1.2558 1.7316 1.7316 1.9874 1.9874 2.0094 2.0094 2.6677 2.6677 2.7390 2.7390 2.8097 2.8097 2.9446 2.9446 3.0403 3.0403 3.0925 3.0925 5.1861 5.1861 5.3210 5.3210 5.6837 5.6837 8.1788 8.1788 8.2193 8.2193 9.6545 9.6545 9.7344 9.7344 10.6430 10.6430 k = 0.4737 0.2735 0.2901 ( 13784 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6734 -21.6734 -21.6734 -21.6734 -10.5547 -10.5547 -10.1360 -10.1360 -9.9864 -9.9864 -9.9838 -9.9838 -9.9256 -9.9256 -9.8853 -9.8853 -6.3714 -6.3714 -6.3686 -6.3686 -5.5169 -5.5169 -5.5114 -5.5114 -5.4878 -5.4878 -5.4869 -5.4869 -0.6283 -0.6283 0.2379 0.2379 0.3368 0.3368 0.5206 0.5206 0.5460 0.5460 0.7115 0.7115 0.8462 0.8462 1.1893 1.1893 1.2533 1.2533 1.7430 1.7430 1.9910 1.9910 2.0106 2.0106 2.6488 2.6488 2.7385 2.7385 2.7961 2.7961 2.9447 2.9447 3.0351 3.0351 3.0798 3.0798 5.1935 5.1935 5.3246 5.3246 5.6896 5.6896 8.1536 8.1536 8.2229 8.2229 9.6751 9.6751 9.7575 9.7575 10.6451 10.6451 k = 0.4671 0.2697 0.3116 ( 13780 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6734 -21.6734 -21.6734 -21.6734 -10.5533 -10.5533 -10.1362 -10.1362 -9.9875 -9.9875 -9.9835 -9.9835 -9.9258 -9.9258 -9.8865 -9.8865 -6.3710 -6.3710 -6.3683 -6.3683 -5.5159 -5.5159 -5.5107 -5.5107 -5.4878 -5.4878 -5.4869 -5.4869 -0.6201 -0.6201 0.2168 0.2168 0.3370 0.3370 0.5437 0.5437 0.5521 0.5521 0.7082 0.7082 0.8436 0.8436 1.1874 1.1874 1.2503 1.2503 1.7569 1.7569 1.9953 1.9953 2.0129 2.0129 2.6270 2.6270 2.7336 2.7336 2.7805 2.7805 2.9438 2.9438 3.0279 3.0279 3.0664 3.0664 5.2020 5.2020 5.3292 5.3292 5.6971 5.6971 8.1228 8.1228 8.2276 8.2276 9.7013 9.7013 9.7865 9.7865 10.6485 10.6485 k = 0.4605 0.2659 0.3330 ( 13779 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6734 -21.6734 -21.6734 -21.6734 -10.5517 -10.5517 -10.1363 -10.1363 -9.9889 -9.9889 -9.9831 -9.9831 -9.9262 -9.9262 -9.8878 -9.8878 -6.3704 -6.3704 -6.3679 -6.3679 -5.5148 -5.5148 -5.5099 -5.5099 -5.4878 -5.4878 -5.4868 -5.4868 -0.6104 -0.6104 0.1951 0.1951 0.3393 0.3393 0.5425 0.5425 0.5813 0.5813 0.7054 0.7054 0.8415 0.8415 1.1844 1.1844 1.2471 1.2471 1.7728 1.7728 1.9996 1.9996 2.0171 2.0171 2.6026 2.6026 2.7223 2.7223 2.7646 2.7646 2.9411 2.9411 3.0184 3.0184 3.0550 3.0550 5.2109 5.2109 5.3351 5.3351 5.7061 5.7061 8.0874 8.0874 8.2335 8.2335 9.7328 9.7328 9.8211 9.8211 10.6526 10.6526 k = 0.4539 0.2621 0.3545 ( 13783 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6734 -21.6734 -21.6734 -21.6734 -10.5498 -10.5498 -10.1365 -10.1365 -9.9904 -9.9904 -9.9825 -9.9825 -9.9267 -9.9267 -9.8893 -9.8893 -6.3698 -6.3698 -6.3675 -6.3675 -5.5135 -5.5135 -5.5089 -5.5089 -5.4878 -5.4878 -5.4868 -5.4868 -0.5994 -0.5994 0.1737 0.1737 0.3429 0.3429 0.5401 0.5401 0.6086 0.6086 0.7048 0.7048 0.8402 0.8402 1.1803 1.1803 1.2438 1.2438 1.7901 1.7901 2.0035 2.0035 2.0239 2.0239 2.5756 2.5756 2.7033 2.7033 2.7500 2.7500 2.9356 2.9356 3.0062 3.0062 3.0479 3.0479 5.2193 5.2193 5.3423 5.3423 5.7166 5.7166 8.0486 8.0486 8.2404 8.2404 9.7693 9.7693 9.8608 9.8608 10.6566 10.6566 k = 0.4474 0.2583 0.3760 ( 13778 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6734 -21.6734 -21.6734 -21.6734 -10.5478 -10.5478 -10.1367 -10.1367 -9.9920 -9.9920 -9.9820 -9.9820 -9.9274 -9.9274 -9.8909 -9.8909 -6.3692 -6.3692 -6.3670 -6.3670 -5.5121 -5.5121 -5.5079 -5.5079 -5.4878 -5.4878 -5.4867 -5.4867 -0.5874 -0.5874 0.1531 0.1531 0.3474 0.3474 0.5370 0.5370 0.6298 0.6298 0.7102 0.7102 0.8401 0.8401 1.1748 1.1748 1.2406 1.2406 1.8083 1.8083 2.0072 2.0072 2.0331 2.0331 2.5463 2.5463 2.6773 2.6773 2.7361 2.7361 2.9267 2.9267 2.9924 2.9924 3.0458 3.0458 5.2264 5.2264 5.3511 5.3511 5.7282 5.7282 8.0072 8.0072 8.2485 8.2485 9.8104 9.8104 9.9050 9.9050 10.6600 10.6600 k = 0.4408 0.2545 0.3975 ( 13781 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6734 -21.6734 -21.6734 -21.6734 -10.5456 -10.5456 -10.1369 -10.1369 -9.9937 -9.9937 -9.9813 -9.9813 -9.9284 -9.9284 -9.8924 -9.8924 -6.3685 -6.3685 -6.3666 -6.3666 -5.5106 -5.5106 -5.5067 -5.5067 -5.4878 -5.4878 -5.4865 -5.4865 -0.5746 -0.5746 0.1338 0.1338 0.3525 0.3525 0.5329 0.5329 0.6415 0.6415 0.7252 0.7252 0.8414 0.8414 1.1680 1.1680 1.2374 1.2374 1.8267 1.8267 2.0113 2.0113 2.0445 2.0445 2.5151 2.5151 2.6461 2.6461 2.7216 2.7216 2.9146 2.9146 2.9782 2.9782 3.0480 3.0480 5.2318 5.2318 5.3616 5.3616 5.7408 5.7408 7.9644 7.9644 8.2575 8.2575 9.8557 9.8557 9.9533 9.9533 10.6619 10.6619 k = 0.4342 0.2507 0.4190 ( 13767 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6734 -21.6734 -21.6734 -21.6734 -10.5433 -10.5433 -10.1371 -10.1371 -9.9955 -9.9955 -9.9806 -9.9806 -9.9296 -9.9296 -9.8939 -9.8939 -6.3678 -6.3678 -6.3661 -6.3661 -5.5091 -5.5091 -5.5056 -5.5056 -5.4879 -5.4879 -5.4864 -5.4864 -0.5614 -0.5614 0.1160 0.1160 0.3579 0.3579 0.5278 0.5278 0.6454 0.6454 0.7484 0.7484 0.8441 0.8441 1.1602 1.1602 1.2340 1.2340 1.8446 1.8446 2.0162 2.0162 2.0575 2.0575 2.4826 2.4826 2.6114 2.6114 2.7059 2.7059 2.9002 2.9002 2.9644 2.9644 3.0536 3.0536 5.2350 5.2350 5.3734 5.3734 5.7542 5.7542 7.9208 7.9208 8.2676 8.2676 9.9046 9.9046 10.0050 10.0050 10.6619 10.6619 k = 0.4276 0.2469 0.4405 ( 13763 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6734 -21.6734 -21.6733 -21.6733 -10.5410 -10.5410 -10.1372 -10.1372 -9.9973 -9.9973 -9.9798 -9.9798 -9.9310 -9.9310 -9.8952 -9.8952 -6.3671 -6.3671 -6.3656 -6.3656 -5.5075 -5.5075 -5.5044 -5.5044 -5.4880 -5.4880 -5.4861 -5.4861 -0.5480 -0.5480 0.0998 0.0998 0.3632 0.3632 0.5218 0.5218 0.6462 0.6462 0.7750 0.7750 0.8485 0.8485 1.1516 1.1516 1.2302 1.2302 1.8616 1.8616 2.0222 2.0222 2.0718 2.0718 2.4492 2.4492 2.5744 2.5744 2.6888 2.6888 2.8843 2.8843 2.9511 2.9511 3.0617 3.0617 5.2361 5.2361 5.3864 5.3864 5.7679 5.7679 7.8773 7.8773 8.2787 8.2787 9.9564 9.9564 10.0592 10.0592 10.6593 10.6593 k = 0.4211 0.2431 0.4620 ( 13760 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6734 -21.6734 -21.6733 -21.6733 -10.5387 -10.5387 -10.1372 -10.1372 -9.9992 -9.9992 -9.9789 -9.9789 -9.9326 -9.9326 -9.8965 -9.8965 -6.3664 -6.3664 -6.3650 -6.3650 -5.5059 -5.5059 -5.5032 -5.5032 -5.4881 -5.4881 -5.4859 -5.4859 -0.5349 -0.5349 0.0855 0.0855 0.3682 0.3682 0.5149 0.5149 0.6468 0.6468 0.8016 0.8016 0.8551 0.8551 1.1427 1.1427 1.2258 1.2258 1.8772 1.8772 2.0293 2.0293 2.0866 2.0866 2.4160 2.4160 2.5366 2.5366 2.6707 2.6707 2.8673 2.8673 2.9388 2.9388 3.0718 3.0718 5.2352 5.2352 5.4001 5.4001 5.7818 5.7818 7.8345 7.8345 8.2907 8.2907 10.0104 10.0104 10.1150 10.1150 10.6537 10.6537 k = 0.4145 0.2393 0.4835 ( 13776 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6735 -21.6735 -21.6733 -21.6733 -10.5364 -10.5364 -10.1372 -10.1372 -10.0010 -10.0010 -9.9781 -9.9781 -9.9344 -9.9344 -9.8976 -9.8976 -6.3657 -6.3657 -6.3645 -6.3645 -5.5044 -5.5044 -5.5021 -5.5021 -5.4882 -5.4882 -5.4855 -5.4855 -0.5226 -0.5226 0.0732 0.0732 0.3723 0.3723 0.5079 0.5079 0.6486 0.6486 0.8250 0.8250 0.8650 0.8650 1.1341 1.1341 1.2207 1.2207 1.8908 1.8908 2.0375 2.0375 2.1008 2.1008 2.3838 2.3838 2.4998 2.4998 2.6518 2.6518 2.8496 2.8496 2.9276 2.9276 3.0833 3.0833 5.2324 5.2324 5.4139 5.4139 5.7956 5.7956 7.7930 7.7930 8.3036 8.3036 10.0657 10.0657 10.1713 10.1713 10.6446 10.6446 k = 0.4079 0.2355 0.5049 ( 13768 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6735 -21.6735 -21.6733 -21.6733 -10.5343 -10.5343 -10.1370 -10.1370 -10.0027 -10.0027 -9.9771 -9.9771 -9.9364 -9.9364 -9.8986 -9.8986 -6.3651 -6.3651 -6.3640 -6.3640 -5.5029 -5.5029 -5.5011 -5.5011 -5.4884 -5.4884 -5.4852 -5.4852 -0.5113 -0.5113 0.0630 0.0630 0.3751 0.3751 0.5014 0.5014 0.6521 0.6521 0.8428 0.8428 0.8796 0.8796 1.1264 1.1264 1.2146 1.2146 1.9020 1.9020 2.0466 2.0466 2.1129 2.1129 2.3540 2.3540 2.4660 2.4660 2.6325 2.6325 2.8311 2.8311 2.9179 2.9179 3.0958 3.0958 5.2282 5.2282 5.4275 5.4275 5.8088 5.8088 7.7532 7.7532 8.3173 8.3173 10.1212 10.1212 10.2264 10.2264 10.6320 10.6320 k = 0.4013 0.2317 0.5264 ( 13763 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6735 -21.6735 -21.6733 -21.6733 -10.5325 -10.5325 -10.1366 -10.1366 -10.0044 -10.0044 -9.9762 -9.9762 -9.9384 -9.9384 -9.8995 -9.8995 -6.3646 -6.3646 -6.3635 -6.3635 -5.5017 -5.5017 -5.5002 -5.5002 -5.4886 -5.4886 -5.4847 -5.4847 -0.5016 -0.5016 0.0549 0.0549 0.3760 0.3760 0.4962 0.4962 0.6574 0.6574 0.8554 0.8554 0.8971 0.8971 1.1204 1.1204 1.2075 1.2075 1.9102 1.9102 2.0563 2.0563 2.1213 2.1213 2.3274 2.3274 2.4381 2.4381 2.6131 2.6131 2.8122 2.8122 2.9097 2.9097 3.1090 3.1090 5.2227 5.2227 5.4405 5.4405 5.8214 5.8214 7.7157 7.7157 8.3317 8.3317 10.1755 10.1755 10.2785 10.2785 10.6162 10.6162 k = 0.3947 0.2279 0.5479 ( 13766 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6735 -21.6735 -21.6732 -21.6732 -10.5309 -10.5309 -10.1359 -10.1359 -10.0060 -10.0060 -9.9753 -9.9753 -9.9405 -9.9405 -9.9002 -9.9002 -6.3642 -6.3642 -6.3630 -6.3630 -5.5006 -5.5006 -5.4995 -5.4995 -5.4887 -5.4887 -5.4843 -5.4843 -0.4937 -0.4937 0.0489 0.0489 0.3747 0.3747 0.4931 0.4931 0.6646 0.6646 0.8654 0.8654 0.9135 0.9135 1.1170 1.1170 1.1993 1.1993 1.9146 1.9146 2.0660 2.0660 2.1247 2.1247 2.3044 2.3044 2.4191 2.4191 2.5940 2.5940 2.7929 2.7929 2.9032 2.9032 3.1227 3.1227 5.2161 5.2161 5.4525 5.4525 5.8329 5.8329 7.6808 7.6808 8.3467 8.3467 10.2268 10.2268 10.3246 10.3246 10.5986 10.5986 k = 0.3882 0.2241 0.5694 ( 13769 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6735 -21.6735 -21.6732 -21.6732 -10.5296 -10.5296 -10.1350 -10.1350 -10.0075 -10.0075 -9.9744 -9.9744 -9.9424 -9.9424 -9.9009 -9.9009 -6.3640 -6.3640 -6.3625 -6.3625 -5.4997 -5.4997 -5.4989 -5.4989 -5.4888 -5.4888 -5.4838 -5.4838 -0.4880 -0.4880 0.0451 0.0451 0.3711 0.3711 0.4925 0.4925 0.6734 0.6734 0.8743 0.8743 0.9260 0.9260 1.1170 1.1170 1.1904 1.1904 1.9143 1.9143 2.0750 2.0750 2.1236 2.1236 2.2849 2.2849 2.4115 2.4115 2.5757 2.5757 2.7736 2.7736 2.8984 2.8984 3.1367 3.1367 5.2087 5.2087 5.4634 5.4634 5.8433 5.8433 7.6488 7.6488 8.3623 8.3623 10.2721 10.2721 10.3610 10.3610 10.5830 10.5830 k = 0.3816 0.2203 0.5909 ( 13757 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6736 -21.6736 -21.6732 -21.6732 -10.5287 -10.5287 -10.1338 -10.1338 -10.0088 -10.0088 -9.9735 -9.9735 -9.9442 -9.9442 -9.9016 -9.9016 -6.3638 -6.3638 -6.3620 -6.3620 -5.4994 -5.4994 -5.4983 -5.4983 -5.4889 -5.4889 -5.4833 -5.4833 -0.4847 -0.4847 0.0431 0.0431 0.3655 0.3655 0.4942 0.4942 0.6837 0.6837 0.8827 0.8827 0.9335 0.9335 1.1201 1.1201 1.1810 1.1810 1.9086 1.9086 2.0824 2.0824 2.1200 2.1200 2.2694 2.2694 2.4148 2.4148 2.5585 2.5585 2.7548 2.7548 2.8952 2.8952 3.1509 3.1509 5.2005 5.2005 5.4730 5.4730 5.8523 5.8523 7.6200 7.6200 8.3784 8.3784 10.3054 10.3054 10.3845 10.3845 10.5751 10.5751 k = 0.3750 0.2165 0.6124 ( 13766 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6736 -21.6736 -21.6732 -21.6732 -10.5283 -10.5283 -10.1322 -10.1322 -10.0100 -10.0100 -9.9727 -9.9727 -9.9457 -9.9457 -9.9022 -9.9022 -6.3638 -6.3638 -6.3616 -6.3616 -5.4994 -5.4994 -5.4977 -5.4977 -5.4890 -5.4890 -5.4827 -5.4827 -0.4839 -0.4839 0.0429 0.0429 0.3586 0.3586 0.4979 0.4979 0.6949 0.6949 0.8903 0.8903 0.9364 0.9364 1.1247 1.1247 1.1724 1.1724 1.8976 1.8976 2.0863 2.0863 2.1173 2.1173 2.2596 2.2596 2.4266 2.4266 2.5430 2.5430 2.7368 2.7368 2.8936 2.8936 3.1652 3.1652 5.1919 5.1919 5.4810 5.4810 5.8598 5.8598 7.5946 7.5946 8.3947 8.3947 10.3143 10.3143 10.4004 10.4004 10.5793 10.5793 k = 0.6250-0.0722 0.4082 ( 13766 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6736 -21.6736 -21.6732 -21.6732 -10.5283 -10.5283 -10.1322 -10.1322 -10.0100 -10.0100 -9.9727 -9.9727 -9.9457 -9.9457 -9.9022 -9.9022 -6.3638 -6.3638 -6.3616 -6.3616 -5.4994 -5.4994 -5.4977 -5.4977 -5.4890 -5.4890 -5.4827 -5.4827 -0.4839 -0.4839 0.0429 0.0429 0.3586 0.3586 0.4979 0.4979 0.6949 0.6949 0.8903 0.8903 0.9364 0.9364 1.1247 1.1247 1.1724 1.1724 1.8976 1.8976 2.0863 2.0863 2.1173 2.1173 2.2596 2.2596 2.4266 2.4266 2.5430 2.5430 2.7368 2.7368 2.8936 2.8936 3.1652 3.1652 5.1919 5.1919 5.4810 5.4810 5.8598 5.8598 7.5946 7.5946 8.3947 8.3947 10.3143 10.3143 10.4004 10.4004 10.5792 10.5792 k = 0.6136-0.0919 0.4082 ( 13774 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6736 -21.6736 -21.6731 -21.6731 -10.5283 -10.5283 -10.1287 -10.1287 -10.0120 -10.0120 -9.9714 -9.9714 -9.9481 -9.9481 -9.9032 -9.9032 -6.3640 -6.3640 -6.3610 -6.3610 -5.4998 -5.4998 -5.4969 -5.4969 -5.4891 -5.4891 -5.4819 -5.4819 -0.4858 -0.4858 0.0447 0.0447 0.3446 0.3446 0.5084 0.5084 0.7149 0.7149 0.9021 0.9021 0.9380 0.9380 1.1229 1.1229 1.1677 1.1677 1.8746 1.8746 2.0882 2.0882 2.1142 2.1142 2.2496 2.2496 2.4550 2.4550 2.5182 2.5182 2.7071 2.7071 2.8934 2.8934 3.1894 3.1894 5.1761 5.1761 5.4931 5.4931 5.8711 5.8711 7.5549 7.5549 8.4233 8.4233 10.2987 10.2987 10.4094 10.4094 10.6125 10.6125 k = 0.6023-0.1115 0.4082 ( 13782 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6737 -21.6737 -21.6731 -21.6731 -10.5286 -10.5286 -10.1247 -10.1247 -10.0141 -10.0141 -9.9702 -9.9702 -9.9506 -9.9506 -9.9042 -9.9042 -6.3641 -6.3641 -6.3605 -6.3605 -5.5002 -5.5002 -5.4963 -5.4963 -5.4892 -5.4892 -5.4810 -5.4810 -0.4893 -0.4893 0.0479 0.0479 0.3293 0.3293 0.5226 0.5226 0.7346 0.7346 0.9119 0.9119 0.9410 0.9410 1.1059 1.1059 1.1762 1.1762 1.8514 1.8514 2.0881 2.0881 2.1119 2.1119 2.2415 2.2415 2.4857 2.4857 2.4940 2.4940 2.6784 2.6784 2.8955 2.8955 3.2125 3.2125 5.1598 5.1598 5.5043 5.5043 5.8817 5.8817 7.5175 7.5175 8.4518 8.4518 10.2794 10.2794 10.3936 10.3936 10.6669 10.6669 k = 0.5909-0.1312 0.4082 ( 13776 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6737 -21.6737 -21.6730 -21.6730 -10.5290 -10.5290 -10.1203 -10.1203 -10.0162 -10.0162 -9.9690 -9.9690 -9.9529 -9.9529 -9.9052 -9.9052 -6.3643 -6.3643 -6.3601 -6.3601 -5.5007 -5.5007 -5.4958 -5.4958 -5.4893 -5.4893 -5.4802 -5.4802 -0.4942 -0.4942 0.0522 0.0522 0.3142 0.3142 0.5393 0.5393 0.7535 0.7535 0.9178 0.9178 0.9469 0.9469 1.0837 1.0837 1.1885 1.1885 1.8284 1.8284 2.0842 2.0842 2.1138 2.1138 2.2352 2.2352 2.4705 2.4705 2.5159 2.5159 2.6512 2.6512 2.9003 2.9003 3.2341 3.2341 5.1433 5.1433 5.5145 5.5145 5.8915 5.8915 7.4827 7.4827 8.4796 8.4796 10.2576 10.2576 10.3691 10.3691 10.7265 10.7265 k = 0.5795-0.1509 0.4082 ( 13764 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6738 -21.6738 -21.6730 -21.6730 -10.5297 -10.5297 -10.1156 -10.1156 -10.0184 -10.0184 -9.9679 -9.9679 -9.9551 -9.9551 -9.9062 -9.9062 -6.3645 -6.3645 -6.3598 -6.3598 -5.5013 -5.5013 -5.4956 -5.4956 -5.4893 -5.4893 -5.4795 -5.4795 -0.4997 -0.4997 0.0571 0.0571 0.3001 0.3001 0.5576 0.5576 0.7712 0.7712 0.9195 0.9195 0.9559 0.9559 1.0603 1.0603 1.2009 1.2009 1.8060 1.8060 2.0779 2.0779 2.1194 2.1194 2.2306 2.2306 2.4478 2.4478 2.5436 2.5436 2.6257 2.6257 2.9075 2.9075 3.2539 3.2539 5.1270 5.1270 5.5236 5.5236 5.9004 5.9004 7.4510 7.4510 8.5063 8.5063 10.2346 10.2346 10.3429 10.3429 10.7840 10.7840 k = 0.5682-0.1706 0.4082 ( 13764 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6738 -21.6738 -21.6729 -21.6729 -10.5304 -10.5304 -10.1108 -10.1108 -10.0207 -10.0207 -9.9669 -9.9669 -9.9572 -9.9572 -9.9071 -9.9071 -6.3646 -6.3646 -6.3595 -6.3595 -5.5018 -5.5018 -5.4954 -5.4954 -5.4893 -5.4893 -5.4788 -5.4788 -0.5055 -0.5055 0.0621 0.0621 0.2874 0.2874 0.5767 0.5767 0.7873 0.7873 0.9182 0.9182 0.9664 0.9664 1.0374 1.0374 1.2123 1.2123 1.7848 1.7848 2.0712 2.0712 2.1269 2.1269 2.2277 2.2277 2.4262 2.4262 2.5669 2.5669 2.6030 2.6030 2.9169 2.9169 3.2717 3.2717 5.1114 5.1114 5.5316 5.5316 5.9083 5.9083 7.4227 7.4227 8.5311 8.5311 10.2118 10.2118 10.3178 10.3178 10.8364 10.8364 k = 0.5568-0.1903 0.4082 ( 13780 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6738 -21.6738 -21.6729 -21.6729 -10.5311 -10.5311 -10.1062 -10.1062 -10.0230 -10.0230 -9.9661 -9.9661 -9.9589 -9.9589 -9.9079 -9.9079 -6.3648 -6.3648 -6.3593 -6.3593 -5.5023 -5.5023 -5.4953 -5.4953 -5.4893 -5.4893 -5.4782 -5.4782 -0.5111 -0.5111 0.0670 0.0670 0.2764 0.2764 0.5960 0.5960 0.8014 0.8014 0.9145 0.9145 0.9771 0.9771 1.0162 1.0162 1.2223 1.2223 1.7653 1.7653 2.0651 2.0651 2.1352 2.1352 2.2263 2.2263 2.4058 2.4058 2.5761 2.5761 2.5926 2.5926 2.9277 2.9277 3.2872 3.2872 5.0971 5.0971 5.5385 5.5385 5.9152 5.9152 7.3981 7.3981 8.5534 8.5534 10.1904 10.1904 10.2952 10.2952 10.8818 10.8818 k = 0.5455-0.2099 0.4082 ( 13776 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6738 -21.6738 -21.6729 -21.6729 -10.5318 -10.5318 -10.1018 -10.1018 -10.0253 -10.0253 -9.9655 -9.9655 -9.9603 -9.9603 -9.9086 -9.9086 -6.3649 -6.3649 -6.3591 -6.3591 -5.5027 -5.5027 -5.4953 -5.4953 -5.4893 -5.4893 -5.4776 -5.4776 -0.5162 -0.5162 0.0714 0.0714 0.2673 0.2673 0.6147 0.6147 0.8135 0.8135 0.9089 0.9089 0.9870 0.9870 0.9980 0.9980 1.2308 1.2308 1.7483 1.7483 2.0600 2.0600 2.1433 2.1433 2.2267 2.2267 2.3870 2.3870 2.5612 2.5612 2.6050 2.6050 2.9390 2.9390 3.3001 3.3001 5.0845 5.0845 5.5441 5.5441 5.9209 5.9209 7.3775 7.3775 8.5726 8.5726 10.1714 10.1714 10.2759 10.2759 10.9189 10.9189 k = 0.5341-0.2296 0.4082 ( 13778 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6739 -21.6739 -21.6729 -21.6729 -10.5324 -10.5324 -10.0979 -10.0979 -10.0274 -10.0274 -9.9653 -9.9653 -9.9612 -9.9612 -9.9092 -9.9092 -6.3650 -6.3650 -6.3590 -6.3590 -5.5031 -5.5031 -5.4952 -5.4952 -5.4892 -5.4892 -5.4772 -5.4772 -0.5205 -0.5205 0.0751 0.0751 0.2602 0.2602 0.6317 0.6317 0.8231 0.8231 0.9015 0.9015 0.9838 0.9838 0.9957 0.9957 1.2375 1.2375 1.7342 1.7342 2.0561 2.0561 2.1505 2.1505 2.2285 2.2285 2.3702 2.3702 2.5471 2.5471 2.6159 2.6159 2.9495 2.9495 3.3103 3.3103 5.0741 5.0741 5.5485 5.5485 5.9254 5.9254 7.3612 7.3612 8.5882 8.5882 10.1558 10.1558 10.2604 10.2604 10.9462 10.9462 k = 0.5227-0.2493 0.4082 ( 13796 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6739 -21.6739 -21.6729 -21.6729 -10.5328 -10.5328 -10.0949 -10.0949 -10.0291 -10.0291 -9.9654 -9.9654 -9.9616 -9.9616 -9.9096 -9.9096 -6.3651 -6.3651 -6.3589 -6.3589 -5.5033 -5.5033 -5.4953 -5.4953 -5.4892 -5.4892 -5.4769 -5.4769 -0.5237 -0.5237 0.0778 0.0778 0.2550 0.2550 0.6458 0.6458 0.8302 0.8302 0.8936 0.8936 0.9742 0.9742 1.0023 1.0023 1.2423 1.2423 1.7236 1.7236 2.0533 2.0533 2.1561 2.1561 2.2314 2.2314 2.3565 2.3565 2.5366 2.5366 2.6234 2.6234 2.9580 2.9580 3.3178 3.3178 5.0664 5.0664 5.5517 5.5517 5.9287 5.9287 7.3495 7.3495 8.5998 8.5998 10.1441 10.1441 10.2492 10.2492 10.9621 10.9621 k = 0.5114-0.2690 0.4082 ( 13788 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6739 -21.6739 -21.6729 -21.6729 -10.5331 -10.5331 -10.0929 -10.0929 -10.0302 -10.0302 -9.9655 -9.9655 -9.9618 -9.9618 -9.9099 -9.9099 -6.3651 -6.3651 -6.3588 -6.3588 -5.5035 -5.5035 -5.4953 -5.4953 -5.4892 -5.4892 -5.4767 -5.4767 -0.5257 -0.5257 0.0795 0.0795 0.2519 0.2519 0.6552 0.6552 0.8346 0.8346 0.8873 0.8873 0.9688 0.9688 1.0065 1.0065 1.2452 1.2452 1.7171 1.7171 2.0517 2.0517 2.1595 2.1595 2.2342 2.2342 2.3472 2.3472 2.5301 2.5301 2.6278 2.6278 2.9635 2.9635 3.3222 3.3222 5.0616 5.0616 5.5536 5.5536 5.9307 5.9307 7.3423 7.3423 8.6069 8.6069 10.1370 10.1370 10.2423 10.2423 10.9650 10.9673 k = 0.5000-0.2887 0.4082 ( 13792 PWs) bands (ev): -69.7036 -69.7036 -41.1098 -41.1098 -31.3406 -31.3406 -31.3405 -31.3405 -21.6739 -21.6739 -21.6729 -21.6729 -10.5332 -10.5332 -10.0922 -10.0922 -10.0306 -10.0306 -9.9656 -9.9656 -9.9618 -9.9618 -9.9100 -9.9100 -6.3651 -6.3651 -6.3588 -6.3588 -5.5035 -5.5035 -5.4953 -5.4953 -5.4892 -5.4892 -5.4767 -5.4767 -0.5264 -0.5264 0.0801 0.0801 0.2509 0.2509 0.6585 0.6585 0.8361 0.8361 0.8848 0.8848 0.9671 0.9671 1.0079 1.0079 1.2461 1.2461 1.7149 1.7149 2.0511 2.0511 2.1607 2.1607 2.2354 2.2354 2.3439 2.3439 2.5279 2.5279 2.6292 2.6292 2.9654 2.9654 3.3238 3.3238 5.0600 5.0600 5.5543 5.5543 5.9313 5.9313 7.3399 7.3399 8.6092 8.6092 10.1345 10.1345 10.2401 10.2401 10.9678 10.9678 Writing output data file Rb2WBr6.save init_run : 0.94s CPU 1.19s WALL ( 1 calls) electrons : 426.99s CPU 431.51s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.05s WALL ( 1 calls) potinit : 0.06s CPU 0.13s WALL ( 1 calls) Called by electrons: c_bands : 426.98s CPU 431.50s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.10s CPU 0.14s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.07s CPU 0.09s WALL ( 206 calls) cegterg : 398.74s CPU 402.38s WALL ( 505 calls) Called by sum_band: Called by *egterg: h_psi : 221.82s CPU 225.43s WALL ( 8149 calls) s_psi : 9.46s CPU 9.53s WALL ( 8149 calls) g_psi : 0.46s CPU 0.43s WALL ( 7438 calls) cdiaghg : 141.32s CPU 141.62s WALL ( 7644 calls) cegterg:over : 19.37s CPU 19.47s WALL ( 7438 calls) cegterg:upda : 15.67s CPU 15.63s WALL ( 7438 calls) cegterg:last : 7.48s CPU 7.53s WALL ( 917 calls) cdiaghg:chol : 6.22s CPU 6.14s WALL ( 7644 calls) cdiaghg:inve : 4.44s CPU 4.43s WALL ( 7644 calls) cdiaghg:para : 8.32s CPU 8.41s WALL ( 15288 calls) Called by h_psi: h_psi:vloc : 199.19s CPU 202.51s WALL ( 8149 calls) h_psi:vnl : 22.02s CPU 22.34s WALL ( 8149 calls) add_vuspsi : 10.55s CPU 10.75s WALL ( 8149 calls) General routines calbec : 11.43s CPU 11.57s WALL ( 8149 calls) fft : 0.02s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 186.86s CPU 190.24s WALL ( 951016 calls) interpolate : 0.00s CPU 0.01s WALL ( 4 calls) davcio : 0.24s CPU 0.32s WALL ( 412 calls) Parallel routines fft_scatter : 108.98s CPU 111.13s WALL ( 951039 calls) PWSCF : 7m56.30s CPU 8m36.51s WALL This run was terminated on: 4:31:51 31Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=