Program PWSCF v.5.3.0 (svn rev. 11974) starts on 27Jan2017 at 19:16:46 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 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 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: ./Rb2Al2Sb2O7.save/ file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 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: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 71 41 11 4285 1881 283 Max 72 42 12 4295 1911 290 Sum 2563 1483 421 154417 68211 10309 bravais-lattice index = 14 lattice parameter (alat) = 10.6966 a.u. unit-cell volume = 1566.9064 (a.u.)^3 number of atoms/cell = 13 number of atomic types = 4 number of electrons = 76.00 number of Kohn-Sham states= 92 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.696605 celldm(2)= 1.000000 celldm(3)= 1.478341 celldm(4)= 0.000000 celldm(5)= 0.000000 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) = ( 0.000000 0.000000 1.478341 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 0.676434 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 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. # 2 for Sb read from file: /users/gautes/Pseudo/Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 6eab79124e5b154cf38452ae12125a85 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Rb read from file: /users/gautes/Pseudo/Rb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 948b8f0a9070089a35782939cf30e963 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1219 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 4 for Al read from file: /users/gautes/Pseudo/Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d344aa71f13a435d235890da883ec65e Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 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 O 6.00 15.99940 O( 1.00) Sb 5.00 121.76000 Sb( 1.00) Rb 9.00 85.46780 Rb( 1.00) Al 3.00 26.98150 Al( 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 ) ( 0 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) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 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) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 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) = ( -1 -1 0 ) ( 0 1 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) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -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 ) ( 0 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) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 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) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -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) = ( 1 1 0 ) ( 0 -1 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) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 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= 246 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040650 k( 2) = ( 0.0151515 0.0087477 -0.0000000), wk = 0.0040650 k( 3) = ( 0.0303030 0.0174955 -0.0000000), wk = 0.0040650 k( 4) = ( 0.0454546 0.0262432 -0.0000000), wk = 0.0040650 k( 5) = ( 0.0606061 0.0349909 -0.0000000), wk = 0.0040650 k( 6) = ( 0.0757576 0.0437387 -0.0000000), wk = 0.0040650 k( 7) = ( 0.0909091 0.0524864 -0.0000000), wk = 0.0040650 k( 8) = ( 0.1060606 0.0612341 -0.0000000), wk = 0.0040650 k( 9) = ( 0.1212121 0.0699819 -0.0000000), wk = 0.0040650 k( 10) = ( 0.1363636 0.0787296 -0.0000000), wk = 0.0040650 k( 11) = ( 0.1515151 0.0874773 -0.0000000), wk = 0.0040650 k( 12) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0040650 k( 13) = ( 0.1818182 0.1049728 -0.0000000), wk = 0.0040650 k( 14) = ( 0.1969697 0.1137205 -0.0000000), wk = 0.0040650 k( 15) = ( 0.2121212 0.1224682 -0.0000000), wk = 0.0040650 k( 16) = ( 0.2272727 0.1312160 -0.0000000), wk = 0.0040650 k( 17) = ( 0.2424242 0.1399637 -0.0000000), wk = 0.0040650 k( 18) = ( 0.2575758 0.1487114 -0.0000000), wk = 0.0040650 k( 19) = ( 0.2727273 0.1574592 -0.0000000), wk = 0.0040650 k( 20) = ( 0.2878788 0.1662069 -0.0000000), wk = 0.0040650 k( 21) = ( 0.3030303 0.1749546 -0.0000000), wk = 0.0040650 k( 22) = ( 0.3181818 0.1837024 -0.0000000), wk = 0.0040650 k( 23) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0040650 k( 24) = ( 0.3484849 0.2011978 -0.0000000), wk = 0.0040650 k( 25) = ( 0.3636364 0.2099456 -0.0000000), wk = 0.0040650 k( 26) = ( 0.3787879 0.2186933 -0.0000000), wk = 0.0040650 k( 27) = ( 0.3939394 0.2274410 -0.0000000), wk = 0.0040650 k( 28) = ( 0.4090909 0.2361887 -0.0000000), wk = 0.0040650 k( 29) = ( 0.4242424 0.2449365 -0.0000000), wk = 0.0040650 k( 30) = ( 0.4393939 0.2536842 -0.0000000), wk = 0.0040650 k( 31) = ( 0.4545455 0.2624319 -0.0000000), wk = 0.0040650 k( 32) = ( 0.4696970 0.2711797 -0.0000000), wk = 0.0040650 k( 33) = ( 0.4848485 0.2799274 -0.0000000), wk = 0.0040650 k( 34) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0040650 k( 35) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0040650 k( 36) = ( 0.4912281 0.3038686 -0.0000000), wk = 0.0040650 k( 37) = ( 0.4824561 0.3190620 -0.0000000), wk = 0.0040650 k( 38) = ( 0.4736842 0.3342554 -0.0000000), wk = 0.0040650 k( 39) = ( 0.4649123 0.3494488 -0.0000000), wk = 0.0040650 k( 40) = ( 0.4561404 0.3646423 -0.0000000), wk = 0.0040650 k( 41) = ( 0.4473684 0.3798357 -0.0000000), wk = 0.0040650 k( 42) = ( 0.4385965 0.3950291 -0.0000000), wk = 0.0040650 k( 43) = ( 0.4298246 0.4102226 -0.0000000), wk = 0.0040650 k( 44) = ( 0.4210526 0.4254160 -0.0000000), wk = 0.0040650 k( 45) = ( 0.4122807 0.4406094 -0.0000000), wk = 0.0040650 k( 46) = ( 0.4035088 0.4558028 -0.0000000), wk = 0.0040650 k( 47) = ( 0.3947368 0.4709963 -0.0000000), wk = 0.0040650 k( 48) = ( 0.3859649 0.4861897 -0.0000000), wk = 0.0040650 k( 49) = ( 0.3771930 0.5013831 -0.0000000), wk = 0.0040650 k( 50) = ( 0.3684211 0.5165765 -0.0000000), wk = 0.0040650 k( 51) = ( 0.3596491 0.5317700 -0.0000000), wk = 0.0040650 k( 52) = ( 0.3508772 0.5469634 -0.0000000), wk = 0.0040650 k( 53) = ( 0.3421053 0.5621568 -0.0000000), wk = 0.0040650 k( 54) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0040650 k( 55) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0040650 k( 56) = ( 0.3245614 0.5621568 -0.0000000), wk = 0.0040650 k( 57) = ( 0.3157895 0.5469634 -0.0000000), wk = 0.0040650 k( 58) = ( 0.3070175 0.5317700 -0.0000000), wk = 0.0040650 k( 59) = ( 0.2982456 0.5165765 -0.0000000), wk = 0.0040650 k( 60) = ( 0.2894737 0.5013831 -0.0000000), wk = 0.0040650 k( 61) = ( 0.2807018 0.4861897 -0.0000000), wk = 0.0040650 k( 62) = ( 0.2719298 0.4709963 -0.0000000), wk = 0.0040650 k( 63) = ( 0.2631579 0.4558028 -0.0000000), wk = 0.0040650 k( 64) = ( 0.2543860 0.4406094 -0.0000000), wk = 0.0040650 k( 65) = ( 0.2456140 0.4254160 -0.0000000), wk = 0.0040650 k( 66) = ( 0.2368421 0.4102226 -0.0000000), wk = 0.0040650 k( 67) = ( 0.2280702 0.3950291 -0.0000000), wk = 0.0040650 k( 68) = ( 0.2192983 0.3798357 -0.0000000), wk = 0.0040650 k( 69) = ( 0.2105263 0.3646423 -0.0000000), wk = 0.0040650 k( 70) = ( 0.2017544 0.3494489 -0.0000000), wk = 0.0040650 k( 71) = ( 0.1929825 0.3342554 -0.0000000), wk = 0.0040650 k( 72) = ( 0.1842105 0.3190620 -0.0000000), wk = 0.0040650 k( 73) = ( 0.1754386 0.3038686 -0.0000000), wk = 0.0040650 k( 74) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0040650 k( 75) = ( 0.1578947 0.2734817 -0.0000000), wk = 0.0040650 k( 76) = ( 0.1491228 0.2582883 -0.0000000), wk = 0.0040650 k( 77) = ( 0.1403509 0.2430949 -0.0000000), wk = 0.0040650 k( 78) = ( 0.1315790 0.2279014 -0.0000000), wk = 0.0040650 k( 79) = ( 0.1228070 0.2127080 -0.0000000), wk = 0.0040650 k( 80) = ( 0.1140351 0.1975146 -0.0000000), wk = 0.0040650 k( 81) = ( 0.1052632 0.1823211 -0.0000000), wk = 0.0040650 k( 82) = ( 0.0964912 0.1671277 -0.0000000), wk = 0.0040650 k( 83) = ( 0.0877193 0.1519343 -0.0000000), wk = 0.0040650 k( 84) = ( 0.0789474 0.1367409 -0.0000000), wk = 0.0040650 k( 85) = ( 0.0701754 0.1215474 -0.0000000), wk = 0.0040650 k( 86) = ( 0.0614035 0.1063540 -0.0000000), wk = 0.0040650 k( 87) = ( 0.0526316 0.0911606 -0.0000000), wk = 0.0040650 k( 88) = ( 0.0438597 0.0759671 -0.0000000), wk = 0.0040650 k( 89) = ( 0.0350877 0.0607737 -0.0000000), wk = 0.0040650 k( 90) = ( 0.0263158 0.0455803 -0.0000000), wk = 0.0040650 k( 91) = ( 0.0175439 0.0303869 -0.0000000), wk = 0.0040650 k( 92) = ( 0.0087719 0.0151934 -0.0000000), wk = 0.0040650 k( 93) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040650 k( 94) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040650 k( 95) = ( 0.0000000 0.0000000 0.0178009), wk = 0.0040650 k( 96) = ( 0.0000000 0.0000000 0.0356018), wk = 0.0040650 k( 97) = ( 0.0000000 0.0000000 0.0534027), wk = 0.0040650 k( 98) = ( 0.0000000 0.0000000 0.0712036), wk = 0.0040650 k( 99) = ( 0.0000000 0.0000000 0.0890045), wk = 0.0040650 k( 100) = ( 0.0000000 0.0000000 0.1068054), wk = 0.0040650 k( 101) = ( 0.0000000 0.0000000 0.1246063), wk = 0.0040650 k( 102) = ( 0.0000000 0.0000000 0.1424072), wk = 0.0040650 k( 103) = ( 0.0000000 0.0000000 0.1602081), wk = 0.0040650 k( 104) = ( 0.0000000 0.0000000 0.1780090), wk = 0.0040650 k( 105) = ( 0.0000000 0.0000000 0.1958098), wk = 0.0040650 k( 106) = ( 0.0000000 0.0000000 0.2136107), wk = 0.0040650 k( 107) = ( 0.0000000 0.0000000 0.2314116), wk = 0.0040650 k( 108) = ( 0.0000000 0.0000000 0.2492125), wk = 0.0040650 k( 109) = ( 0.0000000 0.0000000 0.2670134), wk = 0.0040650 k( 110) = ( 0.0000000 0.0000000 0.2848143), wk = 0.0040650 k( 111) = ( 0.0000000 0.0000000 0.3026152), wk = 0.0040650 k( 112) = ( 0.0000000 0.0000000 0.3204161), wk = 0.0040650 k( 113) = ( 0.0000000 0.0000000 0.3382170), wk = 0.0040650 k( 114) = ( 0.0000000 0.0000000 0.3382170), wk = 0.0040650 k( 115) = ( 0.0151515 0.0087477 0.3382170), wk = 0.0040650 k( 116) = ( 0.0303030 0.0174955 0.3382170), wk = 0.0040650 k( 117) = ( 0.0454546 0.0262432 0.3382170), wk = 0.0040650 k( 118) = ( 0.0606061 0.0349909 0.3382170), wk = 0.0040650 k( 119) = ( 0.0757576 0.0437387 0.3382170), wk = 0.0040650 k( 120) = ( 0.0909091 0.0524864 0.3382170), wk = 0.0040650 k( 121) = ( 0.1060606 0.0612341 0.3382170), wk = 0.0040650 k( 122) = ( 0.1212121 0.0699819 0.3382170), wk = 0.0040650 k( 123) = ( 0.1363636 0.0787296 0.3382170), wk = 0.0040650 k( 124) = ( 0.1515151 0.0874773 0.3382170), wk = 0.0040650 k( 125) = ( 0.1666667 0.0962250 0.3382170), wk = 0.0040650 k( 126) = ( 0.1818182 0.1049728 0.3382170), wk = 0.0040650 k( 127) = ( 0.1969697 0.1137205 0.3382170), wk = 0.0040650 k( 128) = ( 0.2121212 0.1224682 0.3382170), wk = 0.0040650 k( 129) = ( 0.2272727 0.1312160 0.3382170), wk = 0.0040650 k( 130) = ( 0.2424242 0.1399637 0.3382170), wk = 0.0040650 k( 131) = ( 0.2575758 0.1487114 0.3382170), wk = 0.0040650 k( 132) = ( 0.2727273 0.1574592 0.3382170), wk = 0.0040650 k( 133) = ( 0.2878788 0.1662069 0.3382170), wk = 0.0040650 k( 134) = ( 0.3030303 0.1749546 0.3382170), wk = 0.0040650 k( 135) = ( 0.3181818 0.1837024 0.3382170), wk = 0.0040650 k( 136) = ( 0.3333333 0.1924501 0.3382170), wk = 0.0040650 k( 137) = ( 0.3484849 0.2011978 0.3382170), wk = 0.0040650 k( 138) = ( 0.3636364 0.2099456 0.3382170), wk = 0.0040650 k( 139) = ( 0.3787879 0.2186933 0.3382170), wk = 0.0040650 k( 140) = ( 0.3939394 0.2274410 0.3382170), wk = 0.0040650 k( 141) = ( 0.4090909 0.2361887 0.3382170), wk = 0.0040650 k( 142) = ( 0.4242424 0.2449365 0.3382170), wk = 0.0040650 k( 143) = ( 0.4393939 0.2536842 0.3382170), wk = 0.0040650 k( 144) = ( 0.4545455 0.2624319 0.3382170), wk = 0.0040650 k( 145) = ( 0.4696970 0.2711797 0.3382170), wk = 0.0040650 k( 146) = ( 0.4848485 0.2799274 0.3382170), wk = 0.0040650 k( 147) = ( 0.5000000 0.2886751 0.3382170), wk = 0.0040650 k( 148) = ( 0.5000000 0.2886751 0.3382170), wk = 0.0040650 k( 149) = ( 0.4912281 0.3038686 0.3382170), wk = 0.0040650 k( 150) = ( 0.4824561 0.3190620 0.3382170), wk = 0.0040650 k( 151) = ( 0.4736842 0.3342554 0.3382170), wk = 0.0040650 k( 152) = ( 0.4649123 0.3494488 0.3382170), wk = 0.0040650 k( 153) = ( 0.4561404 0.3646423 0.3382170), wk = 0.0040650 k( 154) = ( 0.4473684 0.3798357 0.3382170), wk = 0.0040650 k( 155) = ( 0.4385965 0.3950291 0.3382170), wk = 0.0040650 k( 156) = ( 0.4298246 0.4102226 0.3382170), wk = 0.0040650 k( 157) = ( 0.4210526 0.4254160 0.3382170), wk = 0.0040650 k( 158) = ( 0.4122807 0.4406094 0.3382170), wk = 0.0040650 k( 159) = ( 0.4035088 0.4558028 0.3382170), wk = 0.0040650 k( 160) = ( 0.3947368 0.4709963 0.3382170), wk = 0.0040650 k( 161) = ( 0.3859649 0.4861897 0.3382170), wk = 0.0040650 k( 162) = ( 0.3771930 0.5013831 0.3382170), wk = 0.0040650 k( 163) = ( 0.3684211 0.5165765 0.3382170), wk = 0.0040650 k( 164) = ( 0.3596491 0.5317700 0.3382170), wk = 0.0040650 k( 165) = ( 0.3508772 0.5469634 0.3382170), wk = 0.0040650 k( 166) = ( 0.3421053 0.5621568 0.3382170), wk = 0.0040650 k( 167) = ( 0.3333333 0.5773503 0.3382170), wk = 0.0040650 k( 168) = ( 0.3333333 0.5773503 0.3382170), wk = 0.0040650 k( 169) = ( 0.3245614 0.5621568 0.3382170), wk = 0.0040650 k( 170) = ( 0.3157895 0.5469634 0.3382170), wk = 0.0040650 k( 171) = ( 0.3070175 0.5317700 0.3382170), wk = 0.0040650 k( 172) = ( 0.2982456 0.5165765 0.3382170), wk = 0.0040650 k( 173) = ( 0.2894737 0.5013831 0.3382170), wk = 0.0040650 k( 174) = ( 0.2807018 0.4861897 0.3382170), wk = 0.0040650 k( 175) = ( 0.2719298 0.4709963 0.3382170), wk = 0.0040650 k( 176) = ( 0.2631579 0.4558028 0.3382170), wk = 0.0040650 k( 177) = ( 0.2543860 0.4406094 0.3382170), wk = 0.0040650 k( 178) = ( 0.2456140 0.4254160 0.3382170), wk = 0.0040650 k( 179) = ( 0.2368421 0.4102226 0.3382170), wk = 0.0040650 k( 180) = ( 0.2280702 0.3950291 0.3382170), wk = 0.0040650 k( 181) = ( 0.2192983 0.3798357 0.3382170), wk = 0.0040650 k( 182) = ( 0.2105263 0.3646423 0.3382170), wk = 0.0040650 k( 183) = ( 0.2017544 0.3494489 0.3382170), wk = 0.0040650 k( 184) = ( 0.1929825 0.3342554 0.3382170), wk = 0.0040650 k( 185) = ( 0.1842105 0.3190620 0.3382170), wk = 0.0040650 k( 186) = ( 0.1754386 0.3038686 0.3382170), wk = 0.0040650 k( 187) = ( 0.1666667 0.2886751 0.3382170), wk = 0.0040650 k( 188) = ( 0.1578947 0.2734817 0.3382170), wk = 0.0040650 k( 189) = ( 0.1491228 0.2582883 0.3382170), wk = 0.0040650 k( 190) = ( 0.1403509 0.2430949 0.3382170), wk = 0.0040650 k( 191) = ( 0.1315790 0.2279014 0.3382170), wk = 0.0040650 k( 192) = ( 0.1228070 0.2127080 0.3382170), wk = 0.0040650 k( 193) = ( 0.1140351 0.1975146 0.3382170), wk = 0.0040650 k( 194) = ( 0.1052632 0.1823211 0.3382170), wk = 0.0040650 k( 195) = ( 0.0964912 0.1671277 0.3382170), wk = 0.0040650 k( 196) = ( 0.0877193 0.1519343 0.3382170), wk = 0.0040650 k( 197) = ( 0.0789474 0.1367409 0.3382170), wk = 0.0040650 k( 198) = ( 0.0701754 0.1215474 0.3382170), wk = 0.0040650 k( 199) = ( 0.0614035 0.1063540 0.3382170), wk = 0.0040650 k( 200) = ( 0.0526316 0.0911606 0.3382170), wk = 0.0040650 k( 201) = ( 0.0438597 0.0759671 0.3382170), wk = 0.0040650 k( 202) = ( 0.0350877 0.0607737 0.3382170), wk = 0.0040650 k( 203) = ( 0.0263158 0.0455803 0.3382170), wk = 0.0040650 k( 204) = ( 0.0175439 0.0303869 0.3382170), wk = 0.0040650 k( 205) = ( 0.0087719 0.0151934 0.3382170), wk = 0.0040650 k( 206) = ( 0.0000000 0.0000000 0.3382170), wk = 0.0040650 k( 207) = ( 0.5000000 0.2886751 0.3382170), wk = 0.0040650 k( 208) = ( 0.5000000 0.2886751 0.3204161), wk = 0.0040650 k( 209) = ( 0.5000000 0.2886751 0.3026152), wk = 0.0040650 k( 210) = ( 0.5000000 0.2886751 0.2848143), wk = 0.0040650 k( 211) = ( 0.5000000 0.2886751 0.2670134), wk = 0.0040650 k( 212) = ( 0.5000000 0.2886751 0.2492125), wk = 0.0040650 k( 213) = ( 0.5000000 0.2886751 0.2314116), wk = 0.0040650 k( 214) = ( 0.5000000 0.2886751 0.2136107), wk = 0.0040650 k( 215) = ( 0.5000000 0.2886751 0.1958098), wk = 0.0040650 k( 216) = ( 0.5000000 0.2886751 0.1780090), wk = 0.0040650 k( 217) = ( 0.5000000 0.2886751 0.1602081), wk = 0.0040650 k( 218) = ( 0.5000000 0.2886751 0.1424072), wk = 0.0040650 k( 219) = ( 0.5000000 0.2886751 0.1246063), wk = 0.0040650 k( 220) = ( 0.5000000 0.2886751 0.1068054), wk = 0.0040650 k( 221) = ( 0.5000000 0.2886751 0.0890045), wk = 0.0040650 k( 222) = ( 0.5000000 0.2886751 0.0712036), wk = 0.0040650 k( 223) = ( 0.5000000 0.2886751 0.0534027), wk = 0.0040650 k( 224) = ( 0.5000000 0.2886751 0.0356018), wk = 0.0040650 k( 225) = ( 0.5000000 0.2886751 0.0178009), wk = 0.0040650 k( 226) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0040650 k( 227) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0040650 k( 228) = ( 0.3333333 0.5773503 0.0178009), wk = 0.0040650 k( 229) = ( 0.3333333 0.5773503 0.0356018), wk = 0.0040650 k( 230) = ( 0.3333333 0.5773503 0.0534027), wk = 0.0040650 k( 231) = ( 0.3333333 0.5773503 0.0712036), wk = 0.0040650 k( 232) = ( 0.3333333 0.5773503 0.0890045), wk = 0.0040650 k( 233) = ( 0.3333333 0.5773503 0.1068054), wk = 0.0040650 k( 234) = ( 0.3333333 0.5773503 0.1246063), wk = 0.0040650 k( 235) = ( 0.3333333 0.5773503 0.1424072), wk = 0.0040650 k( 236) = ( 0.3333333 0.5773503 0.1602081), wk = 0.0040650 k( 237) = ( 0.3333333 0.5773503 0.1780090), wk = 0.0040650 k( 238) = ( 0.3333333 0.5773503 0.1958098), wk = 0.0040650 k( 239) = ( 0.3333333 0.5773503 0.2136107), wk = 0.0040650 k( 240) = ( 0.3333333 0.5773503 0.2314116), wk = 0.0040650 k( 241) = ( 0.3333333 0.5773503 0.2492125), wk = 0.0040650 k( 242) = ( 0.3333333 0.5773503 0.2670134), wk = 0.0040650 k( 243) = ( 0.3333333 0.5773503 0.2848143), wk = 0.0040650 k( 244) = ( 0.3333333 0.5773503 0.3026152), wk = 0.0040650 k( 245) = ( 0.3333333 0.5773503 0.3204161), wk = 0.0040650 k( 246) = ( 0.3333333 0.5773503 0.3382170), wk = 0.0040650 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040650 k( 2) = ( 0.0151515 0.0000000 0.0000000), wk = 0.0040650 k( 3) = ( 0.0303030 0.0000000 0.0000000), wk = 0.0040650 k( 4) = ( 0.0454546 0.0000000 0.0000000), wk = 0.0040650 k( 5) = ( 0.0606061 0.0000000 0.0000000), wk = 0.0040650 k( 6) = ( 0.0757576 0.0000000 -0.0000000), wk = 0.0040650 k( 7) = ( 0.0909091 0.0000000 0.0000000), wk = 0.0040650 k( 8) = ( 0.1060606 0.0000000 0.0000000), wk = 0.0040650 k( 9) = ( 0.1212121 0.0000000 0.0000000), wk = 0.0040650 k( 10) = ( 0.1363636 0.0000000 0.0000000), wk = 0.0040650 k( 11) = ( 0.1515151 0.0000000 0.0000000), wk = 0.0040650 k( 12) = ( 0.1666667 0.0000000 0.0000000), wk = 0.0040650 k( 13) = ( 0.1818182 0.0000000 0.0000000), wk = 0.0040650 k( 14) = ( 0.1969697 0.0000000 0.0000000), wk = 0.0040650 k( 15) = ( 0.2121212 0.0000000 0.0000000), wk = 0.0040650 k( 16) = ( 0.2272727 0.0000000 0.0000000), wk = 0.0040650 k( 17) = ( 0.2424242 0.0000000 0.0000000), wk = 0.0040650 k( 18) = ( 0.2575758 0.0000000 -0.0000000), wk = 0.0040650 k( 19) = ( 0.2727273 0.0000000 0.0000000), wk = 0.0040650 k( 20) = ( 0.2878788 0.0000000 0.0000000), wk = 0.0040650 k( 21) = ( 0.3030303 0.0000000 0.0000000), wk = 0.0040650 k( 22) = ( 0.3181818 0.0000000 0.0000000), wk = 0.0040650 k( 23) = ( 0.3333333 0.0000000 0.0000000), wk = 0.0040650 k( 24) = ( 0.3484849 0.0000000 0.0000000), wk = 0.0040650 k( 25) = ( 0.3636364 0.0000000 0.0000000), wk = 0.0040650 k( 26) = ( 0.3787879 0.0000000 0.0000000), wk = 0.0040650 k( 27) = ( 0.3939394 0.0000000 0.0000000), wk = 0.0040650 k( 28) = ( 0.4090909 0.0000000 0.0000000), wk = 0.0040650 k( 29) = ( 0.4242424 0.0000000 0.0000000), wk = 0.0040650 k( 30) = ( 0.4393939 0.0000000 -0.0000000), wk = 0.0040650 k( 31) = ( 0.4545455 0.0000000 -0.0000000), wk = 0.0040650 k( 32) = ( 0.4696970 0.0000000 0.0000000), wk = 0.0040650 k( 33) = ( 0.4848485 0.0000000 0.0000000), wk = 0.0040650 k( 34) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0040650 k( 35) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0040650 k( 36) = ( 0.4912281 0.0175439 0.0000000), wk = 0.0040650 k( 37) = ( 0.4824561 0.0350877 0.0000000), wk = 0.0040650 k( 38) = ( 0.4736842 0.0526316 -0.0000000), wk = 0.0040650 k( 39) = ( 0.4649123 0.0701754 -0.0000000), wk = 0.0040650 k( 40) = ( 0.4561404 0.0877193 -0.0000000), wk = 0.0040650 k( 41) = ( 0.4473684 0.1052632 0.0000000), wk = 0.0040650 k( 42) = ( 0.4385965 0.1228070 0.0000000), wk = 0.0040650 k( 43) = ( 0.4298246 0.1403509 -0.0000000), wk = 0.0040650 k( 44) = ( 0.4210526 0.1578947 0.0000000), wk = 0.0040650 k( 45) = ( 0.4122807 0.1754386 -0.0000000), wk = 0.0040650 k( 46) = ( 0.4035088 0.1929825 0.0000000), wk = 0.0040650 k( 47) = ( 0.3947368 0.2105263 0.0000000), wk = 0.0040650 k( 48) = ( 0.3859649 0.2280702 -0.0000000), wk = 0.0040650 k( 49) = ( 0.3771930 0.2456140 0.0000000), wk = 0.0040650 k( 50) = ( 0.3684211 0.2631579 0.0000000), wk = 0.0040650 k( 51) = ( 0.3596491 0.2807018 -0.0000000), wk = 0.0040650 k( 52) = ( 0.3508772 0.2982456 -0.0000000), wk = 0.0040650 k( 53) = ( 0.3421053 0.3157895 -0.0000000), wk = 0.0040650 k( 54) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0040650 k( 55) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0040650 k( 56) = ( 0.3245614 0.3245614 -0.0000000), wk = 0.0040650 k( 57) = ( 0.3157895 0.3157895 0.0000000), wk = 0.0040650 k( 58) = ( 0.3070175 0.3070175 0.0000000), wk = 0.0040650 k( 59) = ( 0.2982456 0.2982456 0.0000000), wk = 0.0040650 k( 60) = ( 0.2894737 0.2894737 0.0000000), wk = 0.0040650 k( 61) = ( 0.2807018 0.2807018 -0.0000000), wk = 0.0040650 k( 62) = ( 0.2719298 0.2719298 0.0000000), wk = 0.0040650 k( 63) = ( 0.2631579 0.2631579 0.0000000), wk = 0.0040650 k( 64) = ( 0.2543860 0.2543860 0.0000000), wk = 0.0040650 k( 65) = ( 0.2456140 0.2456140 0.0000000), wk = 0.0040650 k( 66) = ( 0.2368421 0.2368421 0.0000000), wk = 0.0040650 k( 67) = ( 0.2280702 0.2280702 0.0000000), wk = 0.0040650 k( 68) = ( 0.2192983 0.2192983 -0.0000000), wk = 0.0040650 k( 69) = ( 0.2105263 0.2105263 0.0000000), wk = 0.0040650 k( 70) = ( 0.2017544 0.2017544 -0.0000000), wk = 0.0040650 k( 71) = ( 0.1929825 0.1929825 0.0000000), wk = 0.0040650 k( 72) = ( 0.1842105 0.1842105 0.0000000), wk = 0.0040650 k( 73) = ( 0.1754386 0.1754386 -0.0000000), wk = 0.0040650 k( 74) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0040650 k( 75) = ( 0.1578947 0.1578947 0.0000000), wk = 0.0040650 k( 76) = ( 0.1491228 0.1491228 0.0000000), wk = 0.0040650 k( 77) = ( 0.1403509 0.1403509 0.0000000), wk = 0.0040650 k( 78) = ( 0.1315790 0.1315790 0.0000000), wk = 0.0040650 k( 79) = ( 0.1228070 0.1228070 0.0000000), wk = 0.0040650 k( 80) = ( 0.1140351 0.1140351 0.0000000), wk = 0.0040650 k( 81) = ( 0.1052632 0.1052632 0.0000000), wk = 0.0040650 k( 82) = ( 0.0964912 0.0964912 0.0000000), wk = 0.0040650 k( 83) = ( 0.0877193 0.0877193 -0.0000000), wk = 0.0040650 k( 84) = ( 0.0789474 0.0789474 0.0000000), wk = 0.0040650 k( 85) = ( 0.0701754 0.0701754 0.0000000), wk = 0.0040650 k( 86) = ( 0.0614035 0.0614035 0.0000000), wk = 0.0040650 k( 87) = ( 0.0526316 0.0526316 0.0000000), wk = 0.0040650 k( 88) = ( 0.0438597 0.0438597 -0.0000000), wk = 0.0040650 k( 89) = ( 0.0350877 0.0350877 0.0000000), wk = 0.0040650 k( 90) = ( 0.0263158 0.0263158 0.0000000), wk = 0.0040650 k( 91) = ( 0.0175439 0.0175439 0.0000000), wk = 0.0040650 k( 92) = ( 0.0087719 0.0087719 0.0000000), wk = 0.0040650 k( 93) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040650 k( 94) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040650 k( 95) = ( 0.0000000 0.0000000 0.0263158), wk = 0.0040650 k( 96) = ( 0.0000000 0.0000000 0.0526316), wk = 0.0040650 k( 97) = ( 0.0000000 0.0000000 0.0789474), wk = 0.0040650 k( 98) = ( 0.0000000 0.0000000 0.1052632), wk = 0.0040650 k( 99) = ( 0.0000000 0.0000000 0.1315790), wk = 0.0040650 k( 100) = ( 0.0000000 0.0000000 0.1578947), wk = 0.0040650 k( 101) = ( 0.0000000 0.0000000 0.1842105), wk = 0.0040650 k( 102) = ( 0.0000000 0.0000000 0.2105263), wk = 0.0040650 k( 103) = ( 0.0000000 0.0000000 0.2368421), wk = 0.0040650 k( 104) = ( 0.0000000 0.0000000 0.2631579), wk = 0.0040650 k( 105) = ( 0.0000000 0.0000000 0.2894737), wk = 0.0040650 k( 106) = ( 0.0000000 0.0000000 0.3157895), wk = 0.0040650 k( 107) = ( 0.0000000 0.0000000 0.3421053), wk = 0.0040650 k( 108) = ( 0.0000000 0.0000000 0.3684211), wk = 0.0040650 k( 109) = ( 0.0000000 0.0000000 0.3947368), wk = 0.0040650 k( 110) = ( 0.0000000 0.0000000 0.4210526), wk = 0.0040650 k( 111) = ( 0.0000000 0.0000000 0.4473684), wk = 0.0040650 k( 112) = ( 0.0000000 0.0000000 0.4736842), wk = 0.0040650 k( 113) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0040650 k( 114) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0040650 k( 115) = ( 0.0151515 0.0000000 0.5000000), wk = 0.0040650 k( 116) = ( 0.0303030 0.0000000 0.5000000), wk = 0.0040650 k( 117) = ( 0.0454546 0.0000000 0.5000000), wk = 0.0040650 k( 118) = ( 0.0606061 0.0000000 0.5000000), wk = 0.0040650 k( 119) = ( 0.0757576 0.0000000 0.5000000), wk = 0.0040650 k( 120) = ( 0.0909091 0.0000000 0.5000000), wk = 0.0040650 k( 121) = ( 0.1060606 0.0000000 0.5000000), wk = 0.0040650 k( 122) = ( 0.1212121 0.0000000 0.5000000), wk = 0.0040650 k( 123) = ( 0.1363636 0.0000000 0.5000000), wk = 0.0040650 k( 124) = ( 0.1515151 0.0000000 0.5000000), wk = 0.0040650 k( 125) = ( 0.1666667 0.0000000 0.5000000), wk = 0.0040650 k( 126) = ( 0.1818182 0.0000000 0.5000000), wk = 0.0040650 k( 127) = ( 0.1969697 0.0000000 0.5000000), wk = 0.0040650 k( 128) = ( 0.2121212 0.0000000 0.5000000), wk = 0.0040650 k( 129) = ( 0.2272727 0.0000000 0.5000000), wk = 0.0040650 k( 130) = ( 0.2424242 0.0000000 0.5000000), wk = 0.0040650 k( 131) = ( 0.2575758 0.0000000 0.5000000), wk = 0.0040650 k( 132) = ( 0.2727273 0.0000000 0.5000000), wk = 0.0040650 k( 133) = ( 0.2878788 0.0000000 0.5000000), wk = 0.0040650 k( 134) = ( 0.3030303 0.0000000 0.5000000), wk = 0.0040650 k( 135) = ( 0.3181818 0.0000000 0.5000000), wk = 0.0040650 k( 136) = ( 0.3333333 0.0000000 0.5000000), wk = 0.0040650 k( 137) = ( 0.3484849 0.0000000 0.5000000), wk = 0.0040650 k( 138) = ( 0.3636364 0.0000000 0.5000000), wk = 0.0040650 k( 139) = ( 0.3787879 0.0000000 0.5000000), wk = 0.0040650 k( 140) = ( 0.3939394 0.0000000 0.5000000), wk = 0.0040650 k( 141) = ( 0.4090909 0.0000000 0.5000000), wk = 0.0040650 k( 142) = ( 0.4242424 0.0000000 0.5000000), wk = 0.0040650 k( 143) = ( 0.4393939 0.0000000 0.5000000), wk = 0.0040650 k( 144) = ( 0.4545455 0.0000000 0.5000000), wk = 0.0040650 k( 145) = ( 0.4696970 0.0000000 0.5000000), wk = 0.0040650 k( 146) = ( 0.4848485 0.0000000 0.5000000), wk = 0.0040650 k( 147) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0040650 k( 148) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0040650 k( 149) = ( 0.4912281 0.0175439 0.5000000), wk = 0.0040650 k( 150) = ( 0.4824561 0.0350877 0.5000000), wk = 0.0040650 k( 151) = ( 0.4736842 0.0526316 0.5000000), wk = 0.0040650 k( 152) = ( 0.4649123 0.0701754 0.5000000), wk = 0.0040650 k( 153) = ( 0.4561404 0.0877193 0.5000000), wk = 0.0040650 k( 154) = ( 0.4473684 0.1052632 0.5000000), wk = 0.0040650 k( 155) = ( 0.4385965 0.1228070 0.5000000), wk = 0.0040650 k( 156) = ( 0.4298246 0.1403509 0.5000000), wk = 0.0040650 k( 157) = ( 0.4210526 0.1578947 0.5000000), wk = 0.0040650 k( 158) = ( 0.4122807 0.1754386 0.5000000), wk = 0.0040650 k( 159) = ( 0.4035088 0.1929825 0.5000000), wk = 0.0040650 k( 160) = ( 0.3947368 0.2105263 0.5000000), wk = 0.0040650 k( 161) = ( 0.3859649 0.2280702 0.5000000), wk = 0.0040650 k( 162) = ( 0.3771930 0.2456140 0.5000000), wk = 0.0040650 k( 163) = ( 0.3684211 0.2631579 0.5000000), wk = 0.0040650 k( 164) = ( 0.3596491 0.2807018 0.5000000), wk = 0.0040650 k( 165) = ( 0.3508772 0.2982456 0.5000000), wk = 0.0040650 k( 166) = ( 0.3421053 0.3157895 0.5000000), wk = 0.0040650 k( 167) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0040650 k( 168) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0040650 k( 169) = ( 0.3245614 0.3245614 0.5000000), wk = 0.0040650 k( 170) = ( 0.3157895 0.3157895 0.5000000), wk = 0.0040650 k( 171) = ( 0.3070175 0.3070175 0.5000000), wk = 0.0040650 k( 172) = ( 0.2982456 0.2982456 0.5000000), wk = 0.0040650 k( 173) = ( 0.2894737 0.2894737 0.5000000), wk = 0.0040650 k( 174) = ( 0.2807018 0.2807018 0.5000000), wk = 0.0040650 k( 175) = ( 0.2719298 0.2719298 0.5000000), wk = 0.0040650 k( 176) = ( 0.2631579 0.2631579 0.5000000), wk = 0.0040650 k( 177) = ( 0.2543860 0.2543860 0.5000000), wk = 0.0040650 k( 178) = ( 0.2456140 0.2456140 0.5000000), wk = 0.0040650 k( 179) = ( 0.2368421 0.2368421 0.5000000), wk = 0.0040650 k( 180) = ( 0.2280702 0.2280702 0.5000000), wk = 0.0040650 k( 181) = ( 0.2192983 0.2192983 0.5000000), wk = 0.0040650 k( 182) = ( 0.2105263 0.2105263 0.5000000), wk = 0.0040650 k( 183) = ( 0.2017544 0.2017544 0.5000000), wk = 0.0040650 k( 184) = ( 0.1929825 0.1929825 0.5000000), wk = 0.0040650 k( 185) = ( 0.1842105 0.1842105 0.5000000), wk = 0.0040650 k( 186) = ( 0.1754386 0.1754386 0.5000000), wk = 0.0040650 k( 187) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0040650 k( 188) = ( 0.1578947 0.1578947 0.5000000), wk = 0.0040650 k( 189) = ( 0.1491228 0.1491228 0.5000000), wk = 0.0040650 k( 190) = ( 0.1403509 0.1403509 0.5000000), wk = 0.0040650 k( 191) = ( 0.1315790 0.1315790 0.5000000), wk = 0.0040650 k( 192) = ( 0.1228070 0.1228070 0.5000000), wk = 0.0040650 k( 193) = ( 0.1140351 0.1140351 0.5000000), wk = 0.0040650 k( 194) = ( 0.1052632 0.1052632 0.5000000), wk = 0.0040650 k( 195) = ( 0.0964912 0.0964912 0.5000000), wk = 0.0040650 k( 196) = ( 0.0877193 0.0877193 0.5000000), wk = 0.0040650 k( 197) = ( 0.0789474 0.0789474 0.5000000), wk = 0.0040650 k( 198) = ( 0.0701754 0.0701754 0.5000000), wk = 0.0040650 k( 199) = ( 0.0614035 0.0614035 0.5000000), wk = 0.0040650 k( 200) = ( 0.0526316 0.0526316 0.5000000), wk = 0.0040650 k( 201) = ( 0.0438597 0.0438597 0.5000000), wk = 0.0040650 k( 202) = ( 0.0350877 0.0350877 0.5000000), wk = 0.0040650 k( 203) = ( 0.0263158 0.0263158 0.5000000), wk = 0.0040650 k( 204) = ( 0.0175439 0.0175439 0.5000000), wk = 0.0040650 k( 205) = ( 0.0087719 0.0087719 0.5000000), wk = 0.0040650 k( 206) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0040650 k( 207) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0040650 k( 208) = ( 0.5000000 0.0000000 0.4736842), wk = 0.0040650 k( 209) = ( 0.5000000 0.0000000 0.4473684), wk = 0.0040650 k( 210) = ( 0.5000000 0.0000000 0.4210526), wk = 0.0040650 k( 211) = ( 0.5000000 0.0000000 0.3947368), wk = 0.0040650 k( 212) = ( 0.5000000 0.0000000 0.3684211), wk = 0.0040650 k( 213) = ( 0.5000000 0.0000000 0.3421053), wk = 0.0040650 k( 214) = ( 0.5000000 0.0000000 0.3157895), wk = 0.0040650 k( 215) = ( 0.5000000 0.0000000 0.2894737), wk = 0.0040650 k( 216) = ( 0.5000000 0.0000000 0.2631579), wk = 0.0040650 k( 217) = ( 0.5000000 0.0000000 0.2368421), wk = 0.0040650 k( 218) = ( 0.5000000 0.0000000 0.2105263), wk = 0.0040650 k( 219) = ( 0.5000000 0.0000000 0.1842105), wk = 0.0040650 k( 220) = ( 0.5000000 0.0000000 0.1578947), wk = 0.0040650 k( 221) = ( 0.5000000 0.0000000 0.1315790), wk = 0.0040650 k( 222) = ( 0.5000000 0.0000000 0.1052632), wk = 0.0040650 k( 223) = ( 0.5000000 0.0000000 0.0789474), wk = 0.0040650 k( 224) = ( 0.5000000 0.0000000 0.0526316), wk = 0.0040650 k( 225) = ( 0.5000000 0.0000000 0.0263158), wk = 0.0040650 k( 226) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0040650 k( 227) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0040650 k( 228) = ( 0.3333333 0.3333333 0.0263158), wk = 0.0040650 k( 229) = ( 0.3333333 0.3333333 0.0526316), wk = 0.0040650 k( 230) = ( 0.3333333 0.3333333 0.0789474), wk = 0.0040650 k( 231) = ( 0.3333333 0.3333333 0.1052632), wk = 0.0040650 k( 232) = ( 0.3333333 0.3333333 0.1315790), wk = 0.0040650 k( 233) = ( 0.3333333 0.3333333 0.1578947), wk = 0.0040650 k( 234) = ( 0.3333333 0.3333333 0.1842105), wk = 0.0040650 k( 235) = ( 0.3333333 0.3333333 0.2105263), wk = 0.0040650 k( 236) = ( 0.3333333 0.3333333 0.2368421), wk = 0.0040650 k( 237) = ( 0.3333333 0.3333333 0.2631579), wk = 0.0040650 k( 238) = ( 0.3333333 0.3333333 0.2894737), wk = 0.0040650 k( 239) = ( 0.3333333 0.3333333 0.3157895), wk = 0.0040650 k( 240) = ( 0.3333333 0.3333333 0.3421053), wk = 0.0040650 k( 241) = ( 0.3333333 0.3333333 0.3684211), wk = 0.0040650 k( 242) = ( 0.3333333 0.3333333 0.3947368), wk = 0.0040650 k( 243) = ( 0.3333333 0.3333333 0.4210526), wk = 0.0040650 k( 244) = ( 0.3333333 0.3333333 0.4473684), wk = 0.0040650 k( 245) = ( 0.3333333 0.3333333 0.4736842), wk = 0.0040650 k( 246) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0040650 Dense grid: 154417 G-vectors FFT dimensions: ( 64, 64, 96) Smooth grid: 68211 G-vectors FFT dimensions: ( 48, 48, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.70 Mb ( 496, 92) NL pseudopotentials 1.14 Mb ( 248, 302) Each V/rho on FFT grid 0.19 Mb ( 12288) Each G-vector array 0.03 Mb ( 4287) G-vector shells 0.01 Mb ( 1953) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 2.79 Mb ( 496, 368) Each subspace H/S matrix 0.13 Mb ( 92, 92) Each matrix 0.85 Mb ( 302, 2, 92) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./Rb2Al2Sb2O7.save/charge-density.dat negative rho (up, down): 1.438E-02 0.000E+00 Starting wfc are 120 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 7.7 secs Computing kpt #: 2 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 11.6 secs Computing kpt #: 3 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 15.6 secs Computing kpt #: 4 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 19.6 secs Computing kpt #: 5 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 23.5 secs Computing kpt #: 6 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 27.5 secs Computing kpt #: 7 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 31.4 secs Computing kpt #: 8 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 35.4 secs Computing kpt #: 9 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 39.3 secs Computing kpt #: 10 total cpu time spent up to now is 42.8 secs Computing kpt #: 11 total cpu time spent up to now is 46.2 secs Computing kpt #: 12 total cpu time spent up to now is 49.3 secs Computing kpt #: 13 total cpu time spent up to now is 52.5 secs Computing kpt #: 14 total cpu time spent up to now is 55.4 secs Computing kpt #: 15 total cpu time spent up to now is 58.1 secs Computing kpt #: 16 total cpu time spent up to now is 60.7 secs Computing kpt #: 17 total cpu time spent up to now is 63.1 secs Computing kpt #: 18 total cpu time spent up to now is 65.6 secs Computing kpt #: 19 total cpu time spent up to now is 67.9 secs Computing kpt #: 20 total cpu time spent up to now is 70.2 secs Computing kpt #: 21 total cpu time spent up to now is 72.6 secs Computing kpt #: 22 total cpu time spent up to now is 75.1 secs Computing kpt #: 23 total cpu time spent up to now is 77.4 secs Computing kpt #: 24 total cpu time spent up to now is 79.7 secs Computing kpt #: 25 total cpu time spent up to now is 82.2 secs Computing kpt #: 26 total cpu time spent up to now is 84.7 secs Computing kpt #: 27 total cpu time spent up to now is 87.2 secs Computing kpt #: 28 total cpu time spent up to now is 89.7 secs Computing kpt #: 29 total cpu time spent up to now is 92.1 secs Computing kpt #: 30 total cpu time spent up to now is 94.4 secs Computing kpt #: 31 total cpu time spent up to now is 96.6 secs Computing kpt #: 32 total cpu time spent up to now is 98.9 secs Computing kpt #: 33 total cpu time spent up to now is 101.2 secs Computing kpt #: 34 total cpu time spent up to now is 103.5 secs Computing kpt #: 35 total cpu time spent up to now is 105.8 secs Computing kpt #: 36 total cpu time spent up to now is 108.1 secs Computing kpt #: 37 total cpu time spent up to now is 110.4 secs Computing kpt #: 38 total cpu time spent up to now is 112.8 secs Computing kpt #: 39 total cpu time spent up to now is 115.1 secs Computing kpt #: 40 total cpu time spent up to now is 117.4 secs Computing kpt #: 41 total cpu time spent up to now is 119.9 secs Computing kpt #: 42 total cpu time spent up to now is 122.5 secs Computing kpt #: 43 total cpu time spent up to now is 125.3 secs Computing kpt #: 44 total cpu time spent up to now is 128.1 secs Computing kpt #: 45 total cpu time spent up to now is 131.4 secs Computing kpt #: 46 total cpu time spent up to now is 134.9 secs Computing kpt #: 47 total cpu time spent up to now is 138.2 secs Computing kpt #: 48 total cpu time spent up to now is 141.7 secs Computing kpt #: 49 total cpu time spent up to now is 145.4 secs Computing kpt #: 50 total cpu time spent up to now is 149.0 secs Computing kpt #: 51 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 153.3 secs Computing kpt #: 52 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 157.3 secs Computing kpt #: 53 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 161.4 secs Computing kpt #: 54 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 165.6 secs Computing kpt #: 55 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 170.1 secs Computing kpt #: 56 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 174.2 secs Computing kpt #: 57 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 178.3 secs Computing kpt #: 58 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 182.5 secs Computing kpt #: 59 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 186.6 secs Computing kpt #: 60 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 190.6 secs Computing kpt #: 61 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 194.7 secs Computing kpt #: 62 total cpu time spent up to now is 198.2 secs Computing kpt #: 63 total cpu time spent up to now is 201.4 secs Computing kpt #: 64 total cpu time spent up to now is 204.1 secs Computing kpt #: 65 total cpu time spent up to now is 206.6 secs Computing kpt #: 66 total cpu time spent up to now is 209.2 secs Computing kpt #: 67 total cpu time spent up to now is 211.9 secs Computing kpt #: 68 total cpu time spent up to now is 215.1 secs Computing kpt #: 69 total cpu time spent up to now is 219.1 secs Computing kpt #: 70 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 223.2 secs Computing kpt #: 71 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 227.2 secs Computing kpt #: 72 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 231.3 secs Computing kpt #: 73 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 235.3 secs Computing kpt #: 74 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 239.4 secs Computing kpt #: 75 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 243.4 secs Computing kpt #: 76 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 247.4 secs Computing kpt #: 77 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 251.4 secs Computing kpt #: 78 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 255.4 secs Computing kpt #: 79 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 259.4 secs Computing kpt #: 80 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 263.4 secs Computing kpt #: 81 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 267.4 secs Computing kpt #: 82 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 271.3 secs Computing kpt #: 83 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 275.3 secs Computing kpt #: 84 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 279.2 secs Computing kpt #: 85 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 283.2 secs Computing kpt #: 86 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 287.2 secs Computing kpt #: 87 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 291.1 secs Computing kpt #: 88 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 295.1 secs Computing kpt #: 89 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 299.0 secs Computing kpt #: 90 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 303.0 secs Computing kpt #: 91 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 306.9 secs Computing kpt #: 92 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 310.9 secs Computing kpt #: 93 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 314.8 secs Computing kpt #: 94 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 318.8 secs Computing kpt #: 95 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 322.8 secs Computing kpt #: 96 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 326.7 secs Computing kpt #: 97 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 330.7 secs Computing kpt #: 98 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 334.6 secs Computing kpt #: 99 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 338.6 secs Computing kpt #: 100 total cpu time spent up to now is 342.4 secs Computing kpt #: 101 total cpu time spent up to now is 344.8 secs Computing kpt #: 102 total cpu time spent up to now is 347.7 secs Computing kpt #: 103 total cpu time spent up to now is 350.0 secs Computing kpt #: 104 total cpu time spent up to now is 352.4 secs Computing kpt #: 105 total cpu time spent up to now is 354.8 secs Computing kpt #: 106 total cpu time spent up to now is 357.1 secs Computing kpt #: 107 total cpu time spent up to now is 359.4 secs Computing kpt #: 108 total cpu time spent up to now is 361.8 secs Computing kpt #: 109 total cpu time spent up to now is 364.1 secs Computing kpt #: 110 total cpu time spent up to now is 366.4 secs Computing kpt #: 111 total cpu time spent up to now is 368.3 secs Computing kpt #: 112 total cpu time spent up to now is 370.4 secs Computing kpt #: 113 total cpu time spent up to now is 372.5 secs Computing kpt #: 114 total cpu time spent up to now is 374.6 secs Computing kpt #: 115 total cpu time spent up to now is 376.7 secs Computing kpt #: 116 total cpu time spent up to now is 378.6 secs Computing kpt #: 117 total cpu time spent up to now is 380.7 secs Computing kpt #: 118 total cpu time spent up to now is 382.9 secs Computing kpt #: 119 total cpu time spent up to now is 385.0 secs Computing kpt #: 120 total cpu time spent up to now is 387.2 secs Computing kpt #: 121 total cpu time spent up to now is 389.1 secs Computing kpt #: 122 total cpu time spent up to now is 391.0 secs Computing kpt #: 123 total cpu time spent up to now is 393.0 secs Computing kpt #: 124 total cpu time spent up to now is 395.0 secs Computing kpt #: 125 total cpu time spent up to now is 397.2 secs Computing kpt #: 126 total cpu time spent up to now is 399.4 secs Computing kpt #: 127 total cpu time spent up to now is 401.7 secs Computing kpt #: 128 total cpu time spent up to now is 404.1 secs Computing kpt #: 129 total cpu time spent up to now is 406.6 secs Computing kpt #: 130 total cpu time spent up to now is 409.3 secs Computing kpt #: 131 total cpu time spent up to now is 412.0 secs Computing kpt #: 132 total cpu time spent up to now is 414.7 secs Computing kpt #: 133 total cpu time spent up to now is 417.6 secs Computing kpt #: 134 total cpu time spent up to now is 420.3 secs Computing kpt #: 135 total cpu time spent up to now is 423.5 secs Computing kpt #: 136 total cpu time spent up to now is 426.5 secs Computing kpt #: 137 total cpu time spent up to now is 429.5 secs Computing kpt #: 138 total cpu time spent up to now is 433.2 secs Computing kpt #: 139 total cpu time spent up to now is 436.9 secs Computing kpt #: 140 total cpu time spent up to now is 440.4 secs Computing kpt #: 141 total cpu time spent up to now is 443.9 secs Computing kpt #: 142 total cpu time spent up to now is 447.2 secs Computing kpt #: 143 total cpu time spent up to now is 450.5 secs Computing kpt #: 144 total cpu time spent up to now is 453.2 secs Computing kpt #: 145 total cpu time spent up to now is 455.7 secs Computing kpt #: 146 total cpu time spent up to now is 458.0 secs Computing kpt #: 147 total cpu time spent up to now is 460.3 secs Computing kpt #: 148 total cpu time spent up to now is 462.6 secs Computing kpt #: 149 total cpu time spent up to now is 464.9 secs Computing kpt #: 150 total cpu time spent up to now is 467.7 secs Computing kpt #: 151 total cpu time spent up to now is 470.1 secs Computing kpt #: 152 total cpu time spent up to now is 472.3 secs Computing kpt #: 153 total cpu time spent up to now is 474.7 secs Computing kpt #: 154 total cpu time spent up to now is 477.0 secs Computing kpt #: 155 total cpu time spent up to now is 479.3 secs Computing kpt #: 156 total cpu time spent up to now is 481.6 secs Computing kpt #: 157 total cpu time spent up to now is 483.9 secs Computing kpt #: 158 total cpu time spent up to now is 486.2 secs Computing kpt #: 159 total cpu time spent up to now is 488.5 secs Computing kpt #: 160 total cpu time spent up to now is 490.7 secs Computing kpt #: 161 total cpu time spent up to now is 493.0 secs Computing kpt #: 162 total cpu time spent up to now is 495.2 secs Computing kpt #: 163 total cpu time spent up to now is 497.7 secs Computing kpt #: 164 total cpu time spent up to now is 500.2 secs Computing kpt #: 165 total cpu time spent up to now is 503.6 secs Computing kpt #: 166 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 507.7 secs Computing kpt #: 167 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 511.9 secs Computing kpt #: 168 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 516.1 secs Computing kpt #: 169 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 520.3 secs Computing kpt #: 170 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 524.4 secs Computing kpt #: 171 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 528.6 secs Computing kpt #: 172 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 532.7 secs Computing kpt #: 173 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 536.8 secs Computing kpt #: 174 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 540.9 secs Computing kpt #: 175 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 545.0 secs Computing kpt #: 176 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 549.0 secs Computing kpt #: 177 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 553.1 secs Computing kpt #: 178 total cpu time spent up to now is 556.8 secs Computing kpt #: 179 total cpu time spent up to now is 559.9 secs Computing kpt #: 180 total cpu time spent up to now is 562.6 secs Computing kpt #: 181 total cpu time spent up to now is 565.1 secs Computing kpt #: 182 total cpu time spent up to now is 567.5 secs Computing kpt #: 183 total cpu time spent up to now is 569.8 secs Computing kpt #: 184 total cpu time spent up to now is 572.0 secs Computing kpt #: 185 total cpu time spent up to now is 574.6 secs Computing kpt #: 186 total cpu time spent up to now is 576.8 secs Computing kpt #: 187 total cpu time spent up to now is 579.0 secs Computing kpt #: 188 total cpu time spent up to now is 581.1 secs Computing kpt #: 189 total cpu time spent up to now is 583.4 secs Computing kpt #: 190 total cpu time spent up to now is 585.7 secs Computing kpt #: 191 total cpu time spent up to now is 588.0 secs Computing kpt #: 192 total cpu time spent up to now is 590.3 secs Computing kpt #: 193 total cpu time spent up to now is 592.6 secs Computing kpt #: 194 total cpu time spent up to now is 594.8 secs Computing kpt #: 195 total cpu time spent up to now is 597.0 secs Computing kpt #: 196 total cpu time spent up to now is 599.0 secs Computing kpt #: 197 total cpu time spent up to now is 601.0 secs Computing kpt #: 198 total cpu time spent up to now is 603.2 secs Computing kpt #: 199 total cpu time spent up to now is 605.1 secs Computing kpt #: 200 total cpu time spent up to now is 607.0 secs Computing kpt #: 201 total cpu time spent up to now is 609.0 secs Computing kpt #: 202 total cpu time spent up to now is 611.1 secs Computing kpt #: 203 total cpu time spent up to now is 613.3 secs Computing kpt #: 204 total cpu time spent up to now is 615.4 secs Computing kpt #: 205 total cpu time spent up to now is 617.3 secs Computing kpt #: 206 total cpu time spent up to now is 619.4 secs Computing kpt #: 207 total cpu time spent up to now is 621.7 secs Computing kpt #: 208 total cpu time spent up to now is 623.9 secs Computing kpt #: 209 total cpu time spent up to now is 626.1 secs Computing kpt #: 210 total cpu time spent up to now is 628.4 secs Computing kpt #: 211 total cpu time spent up to now is 630.6 secs Computing kpt #: 212 total cpu time spent up to now is 632.8 secs Computing kpt #: 213 total cpu time spent up to now is 635.1 secs Computing kpt #: 214 total cpu time spent up to now is 637.3 secs Computing kpt #: 215 total cpu time spent up to now is 639.6 secs Computing kpt #: 216 total cpu time spent up to now is 641.9 secs Computing kpt #: 217 total cpu time spent up to now is 644.1 secs Computing kpt #: 218 total cpu time spent up to now is 646.4 secs Computing kpt #: 219 total cpu time spent up to now is 648.7 secs Computing kpt #: 220 total cpu time spent up to now is 651.1 secs Computing kpt #: 221 total cpu time spent up to now is 653.5 secs Computing kpt #: 222 total cpu time spent up to now is 655.8 secs Computing kpt #: 223 total cpu time spent up to now is 658.2 secs Computing kpt #: 224 total cpu time spent up to now is 660.5 secs Computing kpt #: 225 total cpu time spent up to now is 662.8 secs Computing kpt #: 226 total cpu time spent up to now is 665.1 secs Computing kpt #: 227 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 669.2 secs Computing kpt #: 228 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 673.3 secs Computing kpt #: 229 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 677.4 secs Computing kpt #: 230 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 681.4 secs Computing kpt #: 231 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 685.5 secs Computing kpt #: 232 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 689.7 secs Computing kpt #: 233 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 693.7 secs Computing kpt #: 234 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 697.8 secs Computing kpt #: 235 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 701.9 secs Computing kpt #: 236 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 705.9 secs Computing kpt #: 237 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 709.9 secs Computing kpt #: 238 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 714.1 secs Computing kpt #: 239 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 718.1 secs Computing kpt #: 240 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 722.2 secs Computing kpt #: 241 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 726.4 secs Computing kpt #: 242 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 730.5 secs Computing kpt #: 243 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 734.7 secs Computing kpt #: 244 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 738.9 secs Computing kpt #: 245 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 743.0 secs Computing kpt #: 246 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 747.2 secs ethr = 1.32E-08, avg # of iterations = 77.1 total cpu time spent up to now is 747.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 8513 PWs) bands (ev): -20.8414 -20.8414 -20.7074 -20.7074 -14.1906 -14.1906 -14.1464 -14.1464 -12.7920 -12.7920 -12.7843 -12.7843 -12.7685 -12.7685 -12.7606 -12.7606 -12.3527 -12.3527 -5.7308 -5.7308 -5.3958 -5.3958 -4.9566 -4.9566 -4.8424 -4.8424 -4.5682 -4.5682 -4.4829 -4.4829 -4.2899 -4.2899 -4.1043 -4.1043 -0.9025 -0.9025 -0.4452 -0.4452 0.0798 0.0798 0.1397 0.1397 0.2137 0.2137 0.2691 0.2691 1.2073 1.2073 1.2416 1.2416 1.3350 1.3350 1.9110 1.9110 1.9437 1.9437 2.5317 2.5317 2.5636 2.5636 2.5690 2.5690 2.6025 2.6025 2.6688 2.6688 3.2426 3.2426 3.2584 3.2584 3.4305 3.4305 3.4552 3.4552 3.6892 3.6892 7.8618 7.8618 8.0807 8.0807 9.0158 9.0158 9.2638 9.2638 9.6949 9.6949 9.9245 9.9245 10.0305 10.0305 11.6087 11.6112 k = 0.0152 0.0087-0.0000 ( 8523 PWs) bands (ev): -20.8413 -20.8413 -20.7075 -20.7075 -14.1902 -14.1902 -14.1460 -14.1460 -12.7925 -12.7925 -12.7847 -12.7847 -12.7690 -12.7690 -12.7609 -12.7609 -12.3523 -12.3523 -5.7306 -5.7306 -5.3961 -5.3961 -4.9562 -4.9562 -4.8424 -4.8424 -4.5681 -4.5681 -4.4828 -4.4828 -4.2885 -4.2885 -4.1031 -4.1031 -0.9025 -0.9025 -0.4451 -0.4451 0.0795 0.0795 0.1396 0.1396 0.2135 0.2135 0.2690 0.2690 1.2073 1.2073 1.2416 1.2416 1.3329 1.3329 1.9117 1.9117 1.9443 1.9443 2.5303 2.5303 2.5616 2.5616 2.5656 2.5656 2.5977 2.5977 2.6771 2.6771 3.2424 3.2424 3.2582 3.2582 3.4292 3.4292 3.4542 3.4542 3.6896 3.6896 7.8618 7.8618 8.0803 8.0803 9.0201 9.0201 9.2663 9.2663 9.6896 9.6896 9.9196 9.9196 10.0423 10.0423 11.6084 11.6106 k = 0.0303 0.0175-0.0000 ( 8539 PWs) bands (ev): -20.8411 -20.8411 -20.7076 -20.7076 -14.1889 -14.1889 -14.1447 -14.1447 -12.7943 -12.7943 -12.7859 -12.7859 -12.7704 -12.7704 -12.7620 -12.7620 -12.3513 -12.3513 -5.7301 -5.7301 -5.3969 -5.3969 -4.9550 -4.9550 -4.8425 -4.8425 -4.5679 -4.5679 -4.4824 -4.4824 -4.2842 -4.2842 -4.0993 -4.0993 -0.9025 -0.9025 -0.4449 -0.4449 0.0789 0.0789 0.1394 0.1394 0.2129 0.2129 0.2687 0.2687 1.2074 1.2074 1.2418 1.2418 1.3268 1.3268 1.9136 1.9136 1.9464 1.9464 2.5254 2.5254 2.5498 2.5498 2.5601 2.5601 2.5909 2.5909 2.6956 2.6956 3.2420 3.2420 3.2577 3.2577 3.4252 3.4252 3.4513 3.4513 3.6908 3.6908 7.8617 7.8617 8.0792 8.0792 9.0331 9.0331 9.2738 9.2738 9.6743 9.6743 9.9109 9.9109 10.0716 10.0716 11.6076 11.6083 k = 0.0455 0.0262-0.0000 ( 8537 PWs) bands (ev): -20.8407 -20.8407 -20.7080 -20.7080 -14.1867 -14.1867 -14.1427 -14.1427 -12.7977 -12.7977 -12.7880 -12.7880 -12.7723 -12.7723 -12.7634 -12.7634 -12.3497 -12.3497 -5.7292 -5.7292 -5.3983 -5.3983 -4.9531 -4.9531 -4.8426 -4.8426 -4.5676 -4.5676 -4.4818 -4.4818 -4.2772 -4.2772 -4.0932 -4.0932 -0.9025 -0.9025 -0.4446 -0.4446 0.0776 0.0776 0.1390 0.1390 0.2122 0.2122 0.2684 0.2684 1.2073 1.2073 1.2419 1.2419 1.3170 1.3170 1.9161 1.9161 1.9503 1.9503 2.5140 2.5140 2.5310 2.5310 2.5551 2.5551 2.5869 2.5869 2.7178 2.7178 3.2412 3.2412 3.2568 3.2568 3.4186 3.4186 3.4464 3.4464 3.6928 3.6928 7.8618 7.8618 8.0776 8.0776 9.0541 9.0541 9.2864 9.2864 9.6502 9.6502 9.9054 9.9054 10.1101 10.1101 11.6052 11.6057 k = 0.0606 0.0350-0.0000 ( 8535 PWs) bands (ev): -20.8402 -20.8402 -20.7084 -20.7084 -14.1837 -14.1837 -14.1398 -14.1398 -12.8032 -12.8032 -12.7912 -12.7912 -12.7743 -12.7743 -12.7651 -12.7651 -12.3474 -12.3474 -5.7279 -5.7279 -5.4002 -5.4002 -4.9504 -4.9504 -4.8427 -4.8427 -4.5672 -4.5672 -4.4809 -4.4809 -4.2675 -4.2675 -4.0845 -4.0845 -0.9027 -0.9027 -0.4442 -0.4442 0.0757 0.0757 0.1381 0.1381 0.2115 0.2115 0.2684 0.2684 1.2070 1.2070 1.2419 1.2419 1.3043 1.3043 1.9184 1.9184 1.9564 1.9564 2.4910 2.4910 2.5149 2.5149 2.5497 2.5497 2.5840 2.5840 2.7414 2.7414 3.2402 3.2402 3.2555 3.2555 3.4096 3.4096 3.4398 3.4398 3.6953 3.6953 7.8619 7.8619 8.0758 8.0758 9.0823 9.0823 9.3038 9.3038 9.6197 9.6197 9.9053 9.9053 10.1537 10.1537 11.6017 11.6021 k = 0.0758 0.0437-0.0000 ( 8541 PWs) bands (ev): -20.8395 -20.8395 -20.7089 -20.7089 -14.1799 -14.1799 -14.1362 -14.1362 -12.8109 -12.8109 -12.7957 -12.7957 -12.7762 -12.7762 -12.7668 -12.7668 -12.3447 -12.3447 -5.7262 -5.7262 -5.4027 -5.4027 -4.9470 -4.9470 -4.8427 -4.8427 -4.5666 -4.5666 -4.4797 -4.4797 -4.2551 -4.2551 -4.0736 -4.0736 -0.9029 -0.9029 -0.4438 -0.4438 0.0729 0.0729 0.1365 0.1365 0.2112 0.2112 0.2688 0.2688 1.2058 1.2058 1.2413 1.2413 1.2901 1.2901 1.9201 1.9201 1.9647 1.9647 2.4612 2.4612 2.4987 2.4987 2.5443 2.5443 2.5814 2.5814 2.7657 2.7657 3.2387 3.2387 3.2538 3.2538 3.3981 3.3981 3.4317 3.4317 3.6984 3.6984 7.8621 7.8621 8.0742 8.0742 9.1164 9.1164 9.3259 9.3259 9.5853 9.5853 9.9103 9.9103 10.2006 10.2006 11.5981 11.5982 k = 0.0909 0.0525-0.0000 ( 8527 PWs) bands (ev): -20.8388 -20.8388 -20.7096 -20.7096 -14.1752 -14.1752 -14.1317 -14.1317 -12.8208 -12.8208 -12.8016 -12.8016 -12.7778 -12.7778 -12.7681 -12.7681 -12.3415 -12.3415 -5.7242 -5.7242 -5.4055 -5.4055 -4.9431 -4.9431 -4.8426 -4.8426 -4.5659 -4.5659 -4.4782 -4.4782 -4.2404 -4.2404 -4.0603 -4.0603 -0.9032 -0.9032 -0.4434 -0.4434 0.0691 0.0691 0.1340 0.1340 0.2115 0.2115 0.2702 0.2702 1.2025 1.2025 1.2395 1.2395 1.2765 1.2765 1.9210 1.9210 1.9749 1.9749 2.4284 2.4284 2.4796 2.4796 2.5388 2.5388 2.5785 2.5785 2.7904 2.7904 3.2369 3.2369 3.2515 3.2515 3.3844 3.3844 3.4223 3.4223 3.7017 3.7017 7.8627 7.8627 8.0732 8.0732 9.1545 9.1545 9.3527 9.3527 9.5500 9.5500 9.9196 9.9196 10.2500 10.2500 11.5946 11.5946 k = 0.1061 0.0612-0.0000 ( 8537 PWs) bands (ev): -20.8378 -20.8378 -20.7104 -20.7104 -14.1697 -14.1697 -14.1265 -14.1265 -12.8327 -12.8327 -12.8089 -12.8089 -12.7792 -12.7792 -12.7692 -12.7692 -12.3380 -12.3380 -5.7219 -5.7219 -5.4089 -5.4089 -4.9387 -4.9387 -4.8424 -4.8424 -4.5651 -4.5651 -4.4763 -4.4763 -4.2233 -4.2233 -4.0447 -4.0447 -0.9038 -0.9038 -0.4433 -0.4433 0.0641 0.0641 0.1302 0.1302 0.2126 0.2126 0.2728 0.2728 1.1945 1.1945 1.2360 1.2360 1.2670 1.2670 1.9215 1.9215 1.9864 1.9864 2.3934 2.3934 2.4575 2.4575 2.5330 2.5330 2.5751 2.5751 2.8156 2.8156 3.2345 3.2345 3.2488 3.2488 3.3686 3.3686 3.4118 3.4118 3.7052 3.7052 7.8637 7.8637 8.0729 8.0729 9.1935 9.1935 9.3838 9.3838 9.5175 9.5175 9.9327 9.9327 10.3012 10.3012 11.5911 11.5911 k = 0.1212 0.0700-0.0000 ( 8540 PWs) bands (ev): -20.8368 -20.8368 -20.7113 -20.7113 -14.1634 -14.1634 -14.1205 -14.1205 -12.8464 -12.8464 -12.8177 -12.8177 -12.7804 -12.7804 -12.7700 -12.7700 -12.3342 -12.3342 -5.7193 -5.7193 -5.4126 -5.4126 -4.9340 -4.9340 -4.8419 -4.8419 -4.5643 -4.5643 -4.4740 -4.4740 -4.2041 -4.2041 -4.0271 -4.0271 -0.9047 -0.9047 -0.4433 -0.4433 0.0581 0.0581 0.1250 0.1250 0.2150 0.2150 0.2770 0.2770 1.1794 1.1794 1.2325 1.2325 1.2628 1.2628 1.9215 1.9215 1.9986 1.9986 2.3569 2.3569 2.4327 2.4327 2.5266 2.5266 2.5713 2.5713 2.8411 2.8411 3.2315 3.2315 3.2454 3.2454 3.3509 3.3509 3.4008 3.4008 3.7086 3.7086 7.8652 7.8652 8.0736 8.0736 9.2279 9.2279 9.4177 9.4177 9.4945 9.4945 9.9488 9.9488 10.3541 10.3541 11.5874 11.5874 k = 0.1364 0.0787-0.0000 ( 8534 PWs) bands (ev): -20.8356 -20.8356 -20.7123 -20.7123 -14.1563 -14.1563 -14.1139 -14.1139 -12.8616 -12.8616 -12.8279 -12.8279 -12.7815 -12.7815 -12.7706 -12.7706 -12.3302 -12.3302 -5.7164 -5.7164 -5.4166 -5.4166 -4.9291 -4.9291 -4.8410 -4.8410 -4.5633 -4.5633 -4.4714 -4.4714 -4.1828 -4.1828 -4.0074 -4.0074 -0.9060 -0.9060 -0.4437 -0.4437 0.0509 0.0509 0.1183 0.1183 0.2186 0.2186 0.2829 0.2829 1.1576 1.1576 1.2308 1.2308 1.2619 1.2619 1.9212 1.9212 2.0109 2.0109 2.3192 2.3192 2.4056 2.4056 2.5196 2.5196 2.5670 2.5670 2.8671 2.8671 3.2276 3.2276 3.2416 3.2416 3.3316 3.3316 3.3897 3.3897 3.7118 3.7118 7.8675 7.8675 8.0752 8.0752 9.2488 9.2488 9.4465 9.4465 9.4977 9.4977 9.9676 9.9676 10.4085 10.4085 11.5834 11.5834 k = 0.1515 0.0875-0.0000 ( 8522 PWs) bands (ev): -20.8343 -20.8343 -20.7135 -20.7135 -14.1484 -14.1484 -14.1065 -14.1065 -12.8781 -12.8781 -12.8392 -12.8392 -12.7826 -12.7826 -12.7711 -12.7711 -12.3261 -12.3261 -5.7132 -5.7132 -5.4210 -5.4210 -4.9242 -4.9242 -4.8396 -4.8396 -4.5622 -4.5622 -4.4686 -4.4686 -4.1595 -4.1595 -3.9859 -3.9859 -0.9078 -0.9078 -0.4446 -0.4446 0.0428 0.0428 0.1105 0.1105 0.2235 0.2235 0.2905 0.2905 1.1313 1.1313 1.2305 1.2305 1.2627 1.2627 1.9206 1.9206 2.0227 2.0227 2.2807 2.2807 2.3767 2.3767 2.5119 2.5119 2.5620 2.5620 2.8935 2.8935 3.2222 3.2222 3.2375 3.2375 3.3108 3.3108 3.3788 3.3788 3.7146 3.7146 7.8706 7.8706 8.0778 8.0778 9.2480 9.2480 9.4680 9.4680 9.5371 9.5371 9.9888 9.9888 10.4642 10.4642 11.5788 11.5788 k = 0.1667 0.0962-0.0000 ( 8522 PWs) bands (ev): -20.8329 -20.8329 -20.7147 -20.7147 -14.1398 -14.1398 -14.0984 -14.0984 -12.8958 -12.8958 -12.8516 -12.8516 -12.7836 -12.7836 -12.7715 -12.7715 -12.3220 -12.3220 -5.7098 -5.7098 -5.4256 -5.4256 -4.9195 -4.9195 -4.8375 -4.8375 -4.5610 -4.5610 -4.4655 -4.4655 -4.1346 -4.1346 -3.9626 -3.9626 -0.9102 -0.9102 -0.4460 -0.4460 0.0336 0.0336 0.1019 0.1019 0.2298 0.2298 0.2997 0.2997 1.1022 1.1022 1.2311 1.2311 1.2643 1.2643 1.9199 1.9199 2.0331 2.0331 2.2421 2.2421 2.3464 2.3464 2.5034 2.5034 2.5563 2.5563 2.9204 2.9204 3.2147 3.2147 3.2337 3.2337 3.2890 3.2890 3.3688 3.3688 3.7169 3.7169 7.8746 7.8746 8.0813 8.0813 9.2278 9.2278 9.4974 9.4974 9.5943 9.5943 10.0120 10.0120 10.5210 10.5210 11.5735 11.5735 k = 0.1818 0.1050-0.0000 ( 8532 PWs) bands (ev): -20.8313 -20.8313 -20.7160 -20.7160 -14.1306 -14.1306 -14.0897 -14.0897 -12.9146 -12.9146 -12.8650 -12.8650 -12.7846 -12.7846 -12.7719 -12.7719 -12.3179 -12.3179 -5.7061 -5.7061 -5.4305 -5.4305 -4.9152 -4.9152 -4.8346 -4.8346 -4.5598 -4.5598 -4.4623 -4.4623 -4.1079 -4.1079 -3.9378 -3.9378 -0.9134 -0.9134 -0.4481 -0.4481 0.0234 0.0234 0.0931 0.0931 0.2373 0.2373 0.3105 0.3105 1.0712 1.0712 1.2321 1.2321 1.2664 1.2664 1.9190 1.9190 2.0409 2.0409 2.2047 2.2047 2.3152 2.3152 2.4941 2.4941 2.5500 2.5500 2.9476 2.9476 3.2050 3.2050 3.2300 3.2300 3.2664 3.2664 3.3599 3.3599 3.7185 3.7185 7.8794 7.8794 8.0855 8.0855 9.1969 9.1969 9.5339 9.5339 9.6612 9.6612 10.0371 10.0371 10.5789 10.5789 11.5676 11.5676 k = 0.1970 0.1137-0.0000 ( 8528 PWs) bands (ev): -20.8297 -20.8297 -20.7175 -20.7175 -14.1206 -14.1206 -14.0805 -14.0805 -12.9342 -12.9342 -12.8792 -12.8792 -12.7855 -12.7855 -12.7722 -12.7722 -12.3138 -12.3138 -5.7023 -5.7023 -5.4356 -5.4356 -4.9114 -4.9114 -4.8309 -4.8309 -4.5585 -4.5585 -4.4589 -4.4589 -4.0799 -4.0799 -3.9117 -3.9117 -0.9175 -0.9175 -0.4508 -0.4508 0.0121 0.0121 0.0848 0.0848 0.2459 0.2459 0.3227 0.3227 1.0390 1.0390 1.2333 1.2333 1.2690 1.2690 1.9180 1.9180 2.0436 2.0436 2.1706 2.1706 2.2837 2.2837 2.4839 2.4839 2.5429 2.5429 2.9752 2.9752 3.1930 3.1930 3.2265 3.2265 3.2436 3.2436 3.3524 3.3524 3.7194 3.7194 7.8851 7.8851 8.0903 8.0903 9.1614 9.1614 9.5734 9.5734 9.7351 9.7351 10.0637 10.0637 10.6376 10.6376 11.5612 11.5612 k = 0.2121 0.1225-0.0000 ( 8526 PWs) bands (ev): -20.8279 -20.8279 -20.7190 -20.7190 -14.1101 -14.1101 -14.0707 -14.0707 -12.9545 -12.9545 -12.8942 -12.8942 -12.7864 -12.7864 -12.7726 -12.7726 -12.3098 -12.3098 -5.6982 -5.6982 -5.4408 -5.4408 -4.9083 -4.9083 -4.8262 -4.8262 -4.5571 -4.5571 -4.4556 -4.4556 -4.0505 -4.0505 -3.8844 -3.8844 -0.9225 -0.9225 -0.4542 -0.4542 -0.0005 -0.0005 0.0777 0.0777 0.2554 0.2554 0.3362 0.3362 1.0058 1.0058 1.2346 1.2346 1.2718 1.2718 1.9168 1.9168 2.0366 2.0366 2.1437 2.1437 2.2530 2.2530 2.4727 2.4727 2.5350 2.5350 3.0029 3.0029 3.1791 3.1791 3.2172 3.2172 3.2267 3.2267 3.3463 3.3463 3.7195 3.7195 7.8916 7.8916 8.0955 8.0955 9.1245 9.1245 9.6138 9.6138 9.8143 9.8143 10.0917 10.0917 10.6970 10.6970 11.5543 11.5543 k = 0.2273 0.1312-0.0000 ( 8534 PWs) bands (ev): -20.8260 -20.8260 -20.7207 -20.7207 -14.0990 -14.0990 -14.0604 -14.0604 -12.9755 -12.9755 -12.9097 -12.9097 -12.7873 -12.7873 -12.7729 -12.7729 -12.3059 -12.3059 -5.6940 -5.6940 -5.4462 -5.4462 -4.9057 -4.9057 -4.8206 -4.8206 -4.5556 -4.5556 -4.4523 -4.4523 -4.0200 -4.0200 -3.8562 -3.8562 -0.9286 -0.9286 -0.4584 -0.4584 -0.0143 -0.0143 0.0724 0.0724 0.2658 0.2658 0.3507 0.3507 0.9718 0.9718 1.2358 1.2358 1.2749 1.2749 1.9155 1.9155 2.0164 2.0164 2.1266 2.1266 2.2248 2.2248 2.4607 2.4607 2.5264 2.5264 3.0307 3.0307 3.1636 3.1636 3.1953 3.1953 3.2230 3.2230 3.3415 3.3415 3.7187 3.7187 7.8986 7.8986 8.1010 8.1010 9.0880 9.0880 9.6540 9.6540 9.8976 9.8976 10.1209 10.1209 10.7569 10.7569 11.5475 11.5475 k = 0.2424 0.1400-0.0000 ( 8522 PWs) bands (ev): -20.8241 -20.8241 -20.7224 -20.7224 -14.0874 -14.0874 -14.0497 -14.0497 -12.9969 -12.9969 -12.9258 -12.9258 -12.7882 -12.7882 -12.7732 -12.7732 -12.3022 -12.3022 -5.6896 -5.6896 -5.4516 -5.4516 -4.9038 -4.9038 -4.8142 -4.8142 -4.5540 -4.5540 -4.4491 -4.4491 -3.9885 -3.9885 -3.8273 -3.8273 -0.9358 -0.9358 -0.4633 -0.4633 -0.0290 -0.0290 0.0691 0.0691 0.2769 0.2769 0.3661 0.3661 0.9375 0.9375 1.2370 1.2370 1.2782 1.2782 1.9141 1.9141 1.9855 1.9855 2.1139 2.1139 2.2023 2.2023 2.4478 2.4478 2.5170 2.5170 3.0582 3.0582 3.1469 3.1469 3.1726 3.1726 3.2212 3.2212 3.3380 3.3380 3.7170 3.7170 7.9060 7.9060 8.1065 8.1065 9.0530 9.0530 9.6931 9.6931 9.9841 9.9841 10.1510 10.1510 10.8171 10.8171 11.5410 11.5410 k = 0.2576 0.1487-0.0000 ( 8518 PWs) bands (ev): -20.8221 -20.8221 -20.7242 -20.7242 -14.0753 -14.0753 -14.0386 -14.0386 -13.0186 -13.0186 -12.9423 -12.9423 -12.7890 -12.7890 -12.7735 -12.7735 -12.2986 -12.2986 -5.6851 -5.6851 -5.4571 -5.4571 -4.9024 -4.9024 -4.8071 -4.8071 -4.5523 -4.5523 -4.4461 -4.4461 -3.9564 -3.9564 -3.7980 -3.7980 -0.9442 -0.9442 -0.4690 -0.4690 -0.0444 -0.0444 0.0680 0.0680 0.2885 0.2885 0.3822 0.3822 0.9028 0.9028 1.2381 1.2381 1.2818 1.2818 1.9122 1.9122 1.9496 1.9496 2.0969 2.0969 2.1892 2.1892 2.4340 2.4340 2.5069 2.5069 3.0849 3.0849 3.1294 3.1294 3.1507 3.1507 3.2205 3.2205 3.3353 3.3353 3.7144 3.7144 7.9135 7.9135 8.1118 8.1118 9.0203 9.0203 9.7306 9.7306 10.0723 10.0723 10.1825 10.1825 10.8772 10.8772 11.5354 11.5354 k = 0.2727 0.1575-0.0000 ( 8508 PWs) bands (ev): -20.8200 -20.8200 -20.7260 -20.7260 -14.0629 -14.0629 -14.0272 -14.0272 -13.0404 -13.0404 -12.9590 -12.9590 -12.7898 -12.7898 -12.7738 -12.7738 -12.2953 -12.2953 -5.6805 -5.6805 -5.4627 -5.4627 -4.9015 -4.9015 -4.7996 -4.7996 -4.5504 -4.5504 -4.4434 -4.4434 -3.9237 -3.9237 -3.7686 -3.7686 -0.9538 -0.9538 -0.4755 -0.4755 -0.0599 -0.0599 0.0690 0.0690 0.3005 0.3005 0.3990 0.3990 0.8681 0.8681 1.2390 1.2390 1.2856 1.2856 1.9053 1.9053 1.9167 1.9167 2.0729 2.0729 2.1854 2.1854 2.4195 2.4195 2.4960 2.4960 3.1076 3.1076 3.1139 3.1139 3.1299 3.1299 3.2215 3.2215 3.3335 3.3335 3.7108 3.7108 7.9208 7.9208 8.1170 8.1170 8.9903 8.9903 9.7659 9.7659 10.1592 10.1592 10.2174 10.2174 10.9370 10.9370 11.5314 11.5314 k = 0.2879 0.1662-0.0000 ( 8504 PWs) bands (ev): -20.8179 -20.8179 -20.7279 -20.7279 -14.0502 -14.0502 -14.0156 -14.0156 -13.0623 -13.0623 -12.9758 -12.9758 -12.7906 -12.7906 -12.7740 -12.7740 -12.2921 -12.2921 -5.6759 -5.6759 -5.4682 -5.4682 -4.9009 -4.9009 -4.7918 -4.7918 -4.5485 -4.5485 -4.4409 -4.4409 -3.8907 -3.8907 -3.7394 -3.7394 -0.9644 -0.9644 -0.4829 -0.4829 -0.0749 -0.0749 0.0719 0.0719 0.3128 0.3128 0.4160 0.4160 0.8334 0.8334 1.2397 1.2397 1.2896 1.2896 1.8712 1.8712 1.9108 1.9108 2.0444 2.0444 2.1874 2.1874 2.4043 2.4043 2.4846 2.4846 3.0925 3.0925 3.1103 3.1103 3.1337 3.1337 3.2253 3.2253 3.3322 3.3322 3.7062 3.7062 7.9275 7.9275 8.1219 8.1219 8.9636 8.9636 9.7988 9.7988 10.2257 10.2257 10.2740 10.2740 10.9962 10.9962 11.5294 11.5294 k = 0.3030 0.1750-0.0000 ( 8504 PWs) bands (ev): -20.8157 -20.8157 -20.7299 -20.7299 -14.0374 -14.0374 -14.0039 -14.0039 -13.0840 -13.0840 -12.9925 -12.9925 -12.7914 -12.7914 -12.7743 -12.7743 -12.2891 -12.2891 -5.6712 -5.6712 -5.4738 -5.4738 -4.9006 -4.9006 -4.7837 -4.7837 -4.5464 -4.5464 -4.4388 -4.4388 -3.8578 -3.8578 -3.7107 -3.7107 -0.9760 -0.9760 -0.4911 -0.4911 -0.0890 -0.0890 0.0767 0.0767 0.3252 0.3252 0.4332 0.4332 0.7991 0.7991 1.2402 1.2402 1.2936 1.2936 1.8340 1.8340 1.9087 1.9087 2.0139 2.0139 2.1920 2.1920 2.3885 2.3885 2.4726 2.4726 3.0744 3.0744 3.0924 3.0924 3.1516 3.1516 3.2337 3.2337 3.3315 3.3315 3.7007 3.7007 7.9334 7.9334 8.1264 8.1264 8.9404 8.9404 9.8287 9.8287 10.2628 10.2628 10.3602 10.3602 11.0544 11.0544 11.5300 11.5300 k = 0.3182 0.1837-0.0000 ( 8504 PWs) bands (ev): -20.8135 -20.8135 -20.7319 -20.7319 -14.0245 -14.0245 -13.9922 -13.9922 -13.1054 -13.1054 -13.0091 -13.0091 -12.7921 -12.7921 -12.7746 -12.7746 -12.2864 -12.2864 -5.6665 -5.6665 -5.4793 -5.4793 -4.9005 -4.9005 -4.7757 -4.7757 -4.5443 -4.5443 -4.4370 -4.4370 -3.8251 -3.8251 -3.6827 -3.6827 -0.9882 -0.9882 -0.5002 -0.5002 -0.1018 -0.1018 0.0830 0.0830 0.3376 0.3376 0.4503 0.4503 0.7654 0.7654 1.2405 1.2405 1.2977 1.2977 1.7982 1.7982 1.9067 1.9067 1.9829 1.9829 2.1976 2.1976 2.3725 2.3725 2.4602 2.4602 3.0568 3.0568 3.0760 3.0760 3.1636 3.1636 3.2483 3.2483 3.3311 3.3311 3.6942 3.6942 7.9382 7.9382 8.1306 8.1306 8.9208 8.9208 9.8554 9.8554 10.2935 10.2935 10.4523 10.4523 11.1115 11.1115 11.5335 11.5335 k = 0.3333 0.1925-0.0000 ( 8512 PWs) bands (ev): -20.8112 -20.8112 -20.7339 -20.7339 -14.0116 -14.0116 -13.9806 -13.9806 -13.1264 -13.1264 -13.0253 -13.0253 -12.7928 -12.7928 -12.7749 -12.7749 -12.2838 -12.2838 -5.6618 -5.6618 -5.4847 -5.4847 -4.9005 -4.9005 -4.7679 -4.7679 -4.5420 -4.5420 -4.4356 -4.4356 -3.7929 -3.7929 -3.6559 -3.6559 -1.0010 -1.0010 -0.5103 -0.5103 -0.1130 -0.1130 0.0908 0.0908 0.3498 0.3498 0.4668 0.4668 0.7326 0.7326 1.2405 1.2405 1.3016 1.3016 1.7645 1.7645 1.9044 1.9044 1.9522 1.9522 2.2036 2.2036 2.3562 2.3562 2.4476 2.4476 3.0402 3.0402 3.0610 3.0610 3.1701 3.1701 3.2680 3.2680 3.3311 3.3311 3.6867 3.6867 7.9417 7.9417 8.1344 8.1344 8.9049 8.9049 9.8788 9.8788 10.3221 10.3221 10.5448 10.5448 11.1673 11.1673 11.5400 11.5400 k = 0.3485 0.2012-0.0000 ( 8504 PWs) bands (ev): -20.8090 -20.8090 -20.7359 -20.7359 -13.9990 -13.9990 -13.9692 -13.9692 -13.1466 -13.1466 -13.0409 -13.0409 -12.7935 -12.7935 -12.7751 -12.7751 -12.2815 -12.2815 -5.6572 -5.6572 -5.4900 -5.4900 -4.9006 -4.9006 -4.7603 -4.7603 -4.5396 -4.5396 -4.4346 -4.4346 -3.7616 -3.7616 -3.6304 -3.6304 -1.0140 -1.0140 -0.5212 -0.5212 -0.1221 -0.1221 0.0998 0.0998 0.3617 0.3617 0.4825 0.4825 0.7010 0.7010 1.2404 1.2404 1.3053 1.3053 1.7336 1.7336 1.9011 1.9011 1.9232 1.9232 2.2095 2.2095 2.3402 2.3402 2.4350 2.4350 3.0248 3.0248 3.0474 3.0474 3.1732 3.1732 3.2907 3.2907 3.3314 3.3314 3.6782 3.6782 7.9438 7.9438 8.1381 8.1381 8.8926 8.8926 9.8988 9.8988 10.3489 10.3489 10.6363 10.6363 11.2215 11.2215 11.5491 11.5491 k = 0.3636 0.2099-0.0000 ( 8512 PWs) bands (ev): -20.8068 -20.8068 -20.7380 -20.7380 -13.9868 -13.9868 -13.9581 -13.9581 -13.1660 -13.1660 -13.0559 -13.0559 -12.7941 -12.7941 -12.7753 -12.7753 -12.2794 -12.2794 -5.6527 -5.6527 -5.4951 -5.4951 -4.9007 -4.9007 -4.7531 -4.7531 -4.5371 -4.5371 -4.4339 -4.4339 -3.7315 -3.7315 -3.6068 -3.6068 -1.0269 -1.0269 -0.5328 -0.5328 -0.1293 -0.1293 0.1097 0.1097 0.3731 0.3731 0.4966 0.4966 0.6714 0.6714 1.2400 1.2400 1.3085 1.3085 1.7060 1.7060 1.8874 1.8874 1.9055 1.9055 2.2150 2.2150 2.3245 2.3245 2.4227 2.4227 3.0108 3.0108 3.0351 3.0351 3.1744 3.1744 3.3139 3.3139 3.3330 3.3330 3.6689 3.6689 7.9444 7.9444 8.1415 8.1415 8.8834 8.8834 9.9153 9.9153 10.3739 10.3739 10.7258 10.7258 11.2744 11.2744 11.5599 11.5599 k = 0.3788 0.2187-0.0000 ( 8516 PWs) bands (ev): -20.8047 -20.8047 -20.7399 -20.7399 -13.9751 -13.9751 -13.9475 -13.9475 -13.1843 -13.1843 -13.0700 -13.0700 -12.7946 -12.7946 -12.7756 -12.7756 -12.2775 -12.2775 -5.6483 -5.6483 -5.5000 -5.5000 -4.9009 -4.9009 -4.7463 -4.7463 -4.5346 -4.5346 -4.4336 -4.4336 -3.7029 -3.7029 -3.5851 -3.5851 -1.0394 -1.0394 -0.5447 -0.5447 -0.1346 -0.1346 0.1205 0.1205 0.3839 0.3839 0.5080 0.5080 0.6449 0.6449 1.2395 1.2395 1.3111 1.3111 1.6822 1.6822 1.8611 1.8611 1.9014 1.9014 2.2202 2.2202 2.3094 2.3094 2.4107 2.4107 2.9982 2.9982 3.0243 3.0243 3.1746 3.1746 3.3277 3.3277 3.3445 3.3445 3.6586 3.6586 7.9437 7.9437 8.1448 8.1448 8.8772 8.8772 9.9287 9.9287 10.3971 10.3971 10.8122 10.8122 11.3258 11.3258 11.5711 11.5711 k = 0.3939 0.2274-0.0000 ( 8512 PWs) bands (ev): -20.8026 -20.8026 -20.7419 -20.7419 -13.9642 -13.9642 -13.9375 -13.9375 -13.2012 -13.2012 -13.0830 -13.0830 -12.7951 -12.7951 -12.7758 -12.7758 -12.2759 -12.2759 -5.6442 -5.6442 -5.5046 -5.5046 -4.9011 -4.9011 -4.7402 -4.7402 -4.5321 -4.5321 -4.4336 -4.4336 -3.6762 -3.6762 -3.5657 -3.5657 -1.0513 -1.0513 -0.5568 -0.5568 -0.1381 -0.1381 0.1318 0.1318 0.3939 0.3939 0.5150 0.5150 0.6232 0.6232 1.2388 1.2388 1.3129 1.3129 1.6626 1.6626 1.8344 1.8344 1.8991 1.8991 2.2248 2.2248 2.2953 2.2953 2.3994 2.3994 2.9871 2.9871 3.0147 3.0147 3.1744 3.1744 3.3298 3.3298 3.3676 3.3676 3.6473 3.6473 7.9420 7.9420 8.1479 8.1479 8.8734 8.8734 9.9392 9.9392 10.4181 10.4181 10.8947 10.8947 11.3758 11.3758 11.5808 11.5808 k = 0.4091 0.2362-0.0000 ( 8516 PWs) bands (ev): -20.8007 -20.8007 -20.7437 -20.7437 -13.9542 -13.9542 -13.9284 -13.9284 -13.2166 -13.2166 -13.0947 -13.0947 -12.7955 -12.7955 -12.7759 -12.7759 -12.2744 -12.2744 -5.6403 -5.6403 -5.5089 -5.5089 -4.9013 -4.9013 -4.7347 -4.7347 -4.5297 -4.5297 -4.4339 -4.4339 -3.6517 -3.6517 -3.5488 -3.5488 -1.0622 -1.0622 -0.5685 -0.5685 -0.1401 -0.1401 0.1434 0.1434 0.4030 0.4030 0.5150 0.5150 0.6090 0.6090 1.2381 1.2381 1.3138 1.3138 1.6475 1.6475 1.8090 1.8090 1.8972 1.8972 2.2288 2.2288 2.2825 2.2825 2.3891 2.3891 2.9776 2.9776 3.0065 3.0065 3.1740 3.1740 3.3305 3.3305 3.3916 3.3916 3.6353 3.6353 7.9395 7.9395 8.1508 8.1508 8.8715 8.8715 9.9470 9.9470 10.4367 10.4367 10.9722 10.9722 11.4238 11.4238 11.5867 11.5867 k = 0.4242 0.2449-0.0000 ( 8502 PWs) bands (ev): -20.7989 -20.7989 -20.7453 -20.7453 -13.9454 -13.9454 -13.9201 -13.9201 -13.2302 -13.2302 -13.1050 -13.1050 -12.7959 -12.7959 -12.7761 -12.7761 -12.2732 -12.2732 -5.6368 -5.6368 -5.5127 -5.5127 -4.9015 -4.9015 -4.7300 -4.7300 -4.5274 -4.5274 -4.4343 -4.4343 -3.6298 -3.6298 -3.5346 -3.5346 -1.0718 -1.0718 -0.5794 -0.5794 -0.1410 -0.1410 0.1549 0.1549 0.4111 0.4111 0.5071 0.5071 0.6035 0.6035 1.2373 1.2373 1.3139 1.3139 1.6368 1.6368 1.7853 1.7853 1.8955 1.8955 2.2322 2.2322 2.2711 2.2711 2.3799 2.3799 2.9696 2.9696 2.9996 2.9996 3.1735 3.1735 3.3309 3.3309 3.4150 3.4150 3.6225 3.6225 7.9365 7.9365 8.1535 8.1535 8.8711 8.8711 9.9527 9.9527 10.4529 10.4529 11.0439 11.0439 11.4689 11.4689 11.5875 11.5875 k = 0.4394 0.2537-0.0000 ( 8512 PWs) bands (ev): -20.7974 -20.7974 -20.7468 -20.7468 -13.9379 -13.9379 -13.9131 -13.9131 -13.2418 -13.2418 -13.1137 -13.1137 -12.7962 -12.7962 -12.7762 -12.7762 -12.2722 -12.2722 -5.6337 -5.6337 -5.5161 -5.5161 -4.9016 -4.9016 -4.7260 -4.7260 -4.5253 -4.5253 -4.4348 -4.4348 -3.6110 -3.6110 -3.5232 -3.5232 -1.0800 -1.0800 -0.5890 -0.5890 -0.1411 -0.1411 0.1657 0.1657 0.4181 0.4181 0.4942 0.4942 0.6040 0.6040 1.2365 1.2365 1.3132 1.3132 1.6304 1.6304 1.7639 1.7639 1.8940 1.8940 2.2351 2.2351 2.2615 2.2615 2.3721 2.3721 2.9630 2.9630 2.9940 2.9940 3.1731 3.1731 3.3313 3.3313 3.4373 3.4373 3.6090 3.6090 7.9335 7.9335 8.1559 8.1559 8.8715 8.8715 9.9566 9.9566 10.4663 10.4663 11.1087 11.1087 11.5078 11.5078 11.5838 11.5838 k = 0.4545 0.2624-0.0000 ( 8520 PWs) bands (ev): -20.7961 -20.7961 -20.7480 -20.7480 -13.9318 -13.9318 -13.9074 -13.9074 -13.2510 -13.2510 -13.1207 -13.1207 -12.7964 -12.7964 -12.7763 -12.7763 -12.2715 -12.2715 -5.6312 -5.6312 -5.5188 -5.5188 -4.9018 -4.9018 -4.7229 -4.7229 -4.5236 -4.5236 -4.4353 -4.4353 -3.5957 -3.5957 -3.5145 -3.5145 -1.0866 -1.0866 -0.5970 -0.5970 -0.1407 -0.1407 0.1753 0.1753 0.4239 0.4239 0.4801 0.4801 0.6071 0.6071 1.2359 1.2359 1.3122 1.3122 1.6276 1.6276 1.7453 1.7453 1.8928 1.8928 2.2373 2.2373 2.2538 2.2538 2.3658 2.3658 2.9580 2.9580 2.9897 2.9897 3.1727 3.1727 3.3315 3.3315 3.4580 3.4580 3.5954 3.5954 7.9308 7.9308 8.1578 8.1578 8.8723 8.8723 9.9592 9.9592 10.4770 10.4770 11.1654 11.1654 11.5314 11.5314 11.5837 11.5837 k = 0.4697 0.2712-0.0000 ( 8508 PWs) bands (ev): -20.7951 -20.7951 -20.7489 -20.7489 -13.9274 -13.9274 -13.9031 -13.9031 -13.2578 -13.2578 -13.1257 -13.1257 -12.7966 -12.7966 -12.7764 -12.7764 -12.2709 -12.2709 -5.6293 -5.6293 -5.5209 -5.5209 -4.9018 -4.9018 -4.7207 -4.7207 -4.5223 -4.5223 -4.4358 -4.4358 -3.5843 -3.5843 -3.5085 -3.5085 -1.0914 -1.0914 -0.6030 -0.6030 -0.1402 -0.1402 0.1831 0.1831 0.4285 0.4285 0.4678 0.4678 0.6103 0.6103 1.2353 1.2353 1.3111 1.3111 1.6274 1.6274 1.7304 1.7304 1.8919 1.8919 2.2388 2.2388 2.2481 2.2481 2.3612 2.3612 2.9544 2.9544 2.9867 2.9867 3.1724 3.1724 3.3317 3.3317 3.4763 3.4763 3.5822 3.5822 7.9286 7.9286 8.1592 8.1592 8.8732 8.8732 9.9608 9.9608 10.4846 10.4846 11.2116 11.2116 11.5300 11.5300 11.5976 11.5976 k = 0.4848 0.2799-0.0000 ( 8506 PWs) bands (ev): -20.7945 -20.7945 -20.7495 -20.7495 -13.9247 -13.9247 -13.9005 -13.9005 -13.2619 -13.2619 -13.1288 -13.1288 -12.7967 -12.7967 -12.7764 -12.7764 -12.2706 -12.2706 -5.6282 -5.6282 -5.5222 -5.5222 -4.9019 -4.9019 -4.7193 -4.7193 -4.5215 -4.5215 -4.4361 -4.4361 -3.5772 -3.5772 -3.5050 -3.5050 -1.0943 -1.0943 -0.6067 -0.6067 -0.1398 -0.1398 0.1881 0.1881 0.4319 0.4319 0.4591 0.4591 0.6126 0.6126 1.2350 1.2350 1.3102 1.3102 1.6283 1.6283 1.7205 1.7205 1.8914 1.8914 2.2398 2.2398 2.2447 2.2447 2.3584 2.3584 2.9523 2.9523 2.9848 2.9848 3.1722 3.1722 3.3318 3.3318 3.4901 3.4901 3.5715 3.5715 7.9272 7.9272 8.1601 8.1601 8.8738 8.8738 9.9616 9.9616 10.4893 10.4893 11.2431 11.2431 11.5194 11.5194 11.6124 11.6124 k = 0.5000 0.2887-0.0000 ( 8504 PWs) bands (ev): -20.7943 -20.7943 -20.7497 -20.7497 -13.9238 -13.9238 -13.8996 -13.8996 -13.2633 -13.2633 -13.1298 -13.1298 -12.7967 -12.7967 -12.7764 -12.7764 -12.2705 -12.2705 -5.6278 -5.6278 -5.5226 -5.5226 -4.9019 -4.9019 -4.7189 -4.7189 -4.5212 -4.5212 -4.4362 -4.4362 -3.5748 -3.5748 -3.5038 -3.5038 -1.0953 -1.0953 -0.6079 -0.6079 -0.1397 -0.1397 0.1899 0.1899 0.4333 0.4333 0.4559 0.4559 0.6134 0.6134 1.2349 1.2349 1.3099 1.3099 1.6288 1.6288 1.7170 1.7170 1.8912 1.8912 2.2401 2.2401 2.2436 2.2436 2.3574 2.3574 2.9515 2.9515 2.9842 2.9842 3.1721 3.1721 3.3318 3.3318 3.4957 3.4957 3.5669 3.5669 7.9267 7.9267 8.1604 8.1604 8.8741 8.8741 9.9619 9.9619 10.4908 10.4908 11.2547 11.2547 11.5143 11.5143 11.6180 11.6180 k = 0.5000 0.2887-0.0000 ( 8504 PWs) bands (ev): -20.7943 -20.7943 -20.7497 -20.7497 -13.9238 -13.9238 -13.8996 -13.8996 -13.2633 -13.2633 -13.1298 -13.1298 -12.7967 -12.7967 -12.7764 -12.7764 -12.2705 -12.2705 -5.6278 -5.6278 -5.5226 -5.5226 -4.9019 -4.9019 -4.7189 -4.7189 -4.5212 -4.5212 -4.4362 -4.4362 -3.5748 -3.5748 -3.5038 -3.5038 -1.0953 -1.0953 -0.6079 -0.6079 -0.1397 -0.1397 0.1899 0.1899 0.4333 0.4333 0.4559 0.4559 0.6134 0.6134 1.2349 1.2349 1.3099 1.3099 1.6288 1.6288 1.7170 1.7170 1.8912 1.8912 2.2401 2.2401 2.2436 2.2436 2.3574 2.3574 2.9515 2.9515 2.9842 2.9842 3.1721 3.1721 3.3318 3.3318 3.4957 3.4957 3.5669 3.5669 7.9267 7.9267 8.1604 8.1604 8.8741 8.8741 9.9619 9.9619 10.4908 10.4908 11.2547 11.2547 11.5143 11.5143 11.6180 11.6180 k = 0.4912 0.3039-0.0000 ( 8504 PWs) bands (ev): -20.7942 -20.7942 -20.7498 -20.7498 -13.9235 -13.9235 -13.8994 -13.8994 -13.2639 -13.2639 -13.1302 -13.1302 -12.7967 -12.7967 -12.7764 -12.7764 -12.2705 -12.2705 -5.6276 -5.6276 -5.5227 -5.5227 -4.9020 -4.9020 -4.7185 -4.7185 -4.5216 -4.5216 -4.4358 -4.4358 -3.5741 -3.5741 -3.5032 -3.5032 -1.0951 -1.0951 -0.6093 -0.6093 -0.1393 -0.1393 0.1882 0.1882 0.4303 0.4303 0.4584 0.4584 0.6147 0.6147 1.2361 1.2361 1.3102 1.3102 1.6269 1.6269 1.7176 1.7176 1.8922 1.8922 2.2364 2.2364 2.2483 2.2483 2.3577 2.3577 2.9496 2.9496 2.9819 2.9819 3.1727 3.1727 3.3316 3.3316 3.4960 3.4960 3.5674 3.5674 7.9117 7.9117 8.1749 8.1749 8.8753 8.8753 9.9662 9.9662 10.4882 10.4882 11.2555 11.2555 11.5166 11.5166 11.6196 11.6196 k = 0.4825 0.3191-0.0000 ( 8504 PWs) bands (ev): -20.7940 -20.7940 -20.7500 -20.7500 -13.9224 -13.9224 -13.8986 -13.8986 -13.2655 -13.2655 -13.1313 -13.1313 -12.7966 -12.7966 -12.7763 -12.7763 -12.2704 -12.2704 -5.6271 -5.6271 -5.5232 -5.5232 -4.9022 -4.9022 -4.7176 -4.7176 -4.5228 -4.5228 -4.4347 -4.4347 -3.5720 -3.5720 -3.5015 -3.5015 -1.0946 -1.0946 -0.6134 -0.6134 -0.1383 -0.1383 0.1834 0.1834 0.4236 0.4236 0.4636 0.4636 0.6185 0.6185 1.2396 1.2396 1.3111 1.3111 1.6213 1.6213 1.7195 1.7195 1.8950 1.8950 2.2325 2.2325 2.2551 2.2551 2.3585 2.3585 2.9438 2.9438 2.9751 2.9751 3.1743 3.1743 3.3308 3.3308 3.4970 3.4970 3.5688 3.5688 7.8745 7.8745 8.2104 8.2104 8.8789 8.8789 9.9793 9.9793 10.4804 10.4804 11.2579 11.2579 11.5230 11.5230 11.6242 11.6242 k = 0.4737 0.3343-0.0000 ( 8516 PWs) bands (ev): -20.7936 -20.7936 -20.7503 -20.7503 -13.9206 -13.9206 -13.8973 -13.8973 -13.2683 -13.2683 -13.1331 -13.1331 -12.7964 -12.7964 -12.7761 -12.7761 -12.2702 -12.2702 -5.6264 -5.6264 -5.5240 -5.5240 -4.9026 -4.9026 -4.7160 -4.7160 -4.5248 -4.5248 -4.4330 -4.4330 -3.5685 -3.5685 -3.4986 -3.4986 -1.0937 -1.0937 -0.6201 -0.6201 -0.1367 -0.1367 0.1757 0.1757 0.4152 0.4152 0.4696 0.4696 0.6247 0.6247 1.2452 1.2452 1.3126 1.3126 1.6125 1.6125 1.7225 1.7225 1.8991 1.8991 2.2302 2.2302 2.2624 2.2624 2.3598 2.3598 2.9342 2.9342 2.9640 2.9640 3.1769 3.1769 3.3294 3.3294 3.4988 3.4988 3.5711 3.5711 7.8268 7.8268 8.2555 8.2555 8.8848 8.8848 10.0009 10.0009 10.4679 10.4679 11.2619 11.2619 11.5329 11.5329 11.6317 11.6317 k = 0.4649 0.3494-0.0000 ( 8518 PWs) bands (ev): -20.7932 -20.7932 -20.7508 -20.7508 -13.9181 -13.9181 -13.8955 -13.8955 -13.2720 -13.2720 -13.1356 -13.1356 -12.7962 -12.7962 -12.7758 -12.7758 -12.2701 -12.2701 -5.6253 -5.6253 -5.5252 -5.5252 -4.9031 -4.9031 -4.7139 -4.7139 -4.5275 -4.5275 -4.4308 -4.4308 -3.5637 -3.5637 -3.4947 -3.4947 -1.0927 -1.0927 -0.6292 -0.6292 -0.1344 -0.1344 0.1654 0.1654 0.4054 0.4054 0.4758 0.4758 0.6331 0.6331 1.2526 1.2526 1.3148 1.3148 1.6014 1.6014 1.7266 1.7266 1.9036 1.9036 2.2298 2.2298 2.2701 2.2701 2.3618 2.3618 2.9211 2.9211 2.9488 2.9488 3.1802 3.1802 3.3275 3.3275 3.5012 3.5012 3.5741 3.5741 7.7748 7.7748 8.3040 8.3040 8.8927 8.8927 10.0307 10.0307 10.4515 10.4515 11.2673 11.2673 11.5445 11.5445 11.6418 11.6418 k = 0.4561 0.3646-0.0000 ( 8534 PWs) bands (ev): -20.7925 -20.7925 -20.7513 -20.7513 -13.9149 -13.9149 -13.8933 -13.8933 -13.2767 -13.2767 -13.1387 -13.1387 -12.7959 -12.7959 -12.7755 -12.7755 -12.2698 -12.2698 -5.6239 -5.6239 -5.5266 -5.5266 -4.9037 -4.9037 -4.7112 -4.7112 -4.5307 -4.5307 -4.4282 -4.4282 -3.5577 -3.5577 -3.4898 -3.4898 -1.0913 -1.0913 -0.6403 -0.6403 -0.1316 -0.1316 0.1533 0.1533 0.3939 0.3939 0.4826 0.4826 0.6432 0.6432 1.2612 1.2612 1.3178 1.3178 1.5886 1.5886 1.7317 1.7317 1.9078 1.9078 2.2316 2.2316 2.2780 2.2780 2.3644 2.3644 2.9046 2.9046 2.9300 2.9300 3.1842 3.1842 3.3252 3.3252 3.5042 3.5042 3.5778 3.5778 7.7216 7.7216 8.3530 8.3530 8.9023 8.9023 10.0681 10.0681 10.4322 10.4322 11.2742 11.2742 11.5555 11.5555 11.6545 11.6545 k = 0.4474 0.3798-0.0000 ( 8534 PWs) bands (ev): -20.7918 -20.7918 -20.7521 -20.7521 -13.9112 -13.9112 -13.8906 -13.8906 -13.2823 -13.2823 -13.1424 -13.1424 -12.7956 -12.7956 -12.7751 -12.7751 -12.2696 -12.2696 -5.6222 -5.6222 -5.5283 -5.5283 -4.9043 -4.9043 -4.7080 -4.7080 -4.5343 -4.5343 -4.4252 -4.4252 -3.5505 -3.5505 -3.4841 -3.4841 -1.0899 -1.0899 -0.6531 -0.6531 -0.1282 -0.1282 0.1399 0.1399 0.3805 0.3805 0.4905 0.4905 0.6543 0.6543 1.2704 1.2704 1.3218 1.3218 1.5748 1.5748 1.7377 1.7377 1.9110 1.9110 2.2358 2.2358 2.2862 2.2862 2.3678 2.3678 2.8850 2.8850 2.9080 2.9080 3.1885 3.1885 3.3223 3.3223 3.5078 3.5078 3.5819 3.5819 7.6689 7.6689 8.4012 8.4012 8.9132 8.9132 10.1121 10.1121 10.4114 10.4114 11.2824 11.2824 11.5624 11.5624 11.6698 11.6698 k = 0.4386 0.3950-0.0000 ( 8530 PWs) bands (ev): -20.7909 -20.7909 -20.7529 -20.7529 -13.9069 -13.9069 -13.8876 -13.8876 -13.2886 -13.2886 -13.1466 -13.1466 -12.7953 -12.7953 -12.7747 -12.7747 -12.2693 -12.2693 -5.6202 -5.6202 -5.5303 -5.5303 -4.9050 -4.9050 -4.7044 -4.7044 -4.5383 -4.5383 -4.4221 -4.4221 -3.5423 -3.5423 -3.4777 -3.4777 -1.0884 -1.0884 -0.6672 -0.6672 -0.1244 -0.1244 0.1259 0.1259 0.3651 0.3651 0.4997 0.4997 0.6658 0.6658 1.2795 1.2795 1.3272 1.3272 1.5607 1.5607 1.7445 1.7445 1.9127 1.9127 2.2422 2.2422 2.2946 2.2946 2.3720 2.3720 2.8626 2.8626 2.8831 2.8831 3.1933 3.1933 3.3191 3.3191 3.5120 3.5120 3.5862 3.5862 7.6176 7.6176 8.4478 8.4478 8.9250 8.9250 10.1611 10.1611 10.3911 10.3911 11.2918 11.2918 11.5612 11.5612 11.6880 11.6880 k = 0.4298 0.4102-0.0000 ( 8528 PWs) bands (ev): -20.7899 -20.7899 -20.7539 -20.7539 -13.9021 -13.9021 -13.8842 -13.8842 -13.2956 -13.2956 -13.1512 -13.1512 -12.7950 -12.7950 -12.7743 -12.7743 -12.2689 -12.2689 -5.6180 -5.6180 -5.5326 -5.5326 -4.9058 -4.9058 -4.7003 -4.7003 -4.5426 -4.5426 -4.4190 -4.4190 -3.5332 -3.5332 -3.4708 -3.4708 -1.0869 -1.0869 -0.6822 -0.6822 -0.1201 -0.1201 0.1119 0.1119 0.3479 0.3479 0.5101 0.5101 0.6771 0.6771 1.2876 1.2876 1.3344 1.3344 1.5466 1.5466 1.7520 1.7520 1.9127 1.9127 2.2507 2.2507 2.3034 2.3034 2.3771 2.3771 2.8377 2.8377 2.8556 2.8556 3.1983 3.1983 3.3154 3.3154 3.5167 3.5167 3.5906 3.5906 7.5686 7.5686 8.4925 8.4925 8.9371 8.9371 10.2107 10.2107 10.3760 10.3760 11.3021 11.3021 11.5492 11.5492 11.7095 11.7095 k = 0.4211 0.4254-0.0000 ( 8530 PWs) bands (ev): -20.7888 -20.7888 -20.7549 -20.7549 -13.8969 -13.8969 -13.8807 -13.8807 -13.3030 -13.3030 -13.1562 -13.1562 -12.7946 -12.7946 -12.7739 -12.7739 -12.2686 -12.2686 -5.6155 -5.6155 -5.5352 -5.5352 -4.9065 -4.9065 -4.6959 -4.6959 -4.5470 -4.5470 -4.4158 -4.4158 -3.5233 -3.5233 -3.4636 -3.4636 -1.0855 -1.0855 -0.6977 -0.6977 -0.1155 -0.1155 0.0986 0.0986 0.3291 0.3291 0.5217 0.5217 0.6876 0.6876 1.2941 1.2941 1.3435 1.3435 1.5331 1.5331 1.7600 1.7600 1.9110 1.9110 2.2606 2.2606 2.3131 2.3131 2.3833 2.3833 2.8108 2.8108 2.8261 2.8261 3.2035 3.2035 3.3113 3.3113 3.5219 3.5219 3.5949 3.5949 7.5224 7.5224 8.5350 8.5350 8.9489 8.9489 10.2489 10.2489 10.3780 10.3780 11.3131 11.3131 11.5263 11.5263 11.7340 11.7340 k = 0.4123 0.4406-0.0000 ( 8520 PWs) bands (ev): -20.7875 -20.7875 -20.7562 -20.7562 -13.8914 -13.8914 -13.8769 -13.8769 -13.3108 -13.3108 -13.1613 -13.1613 -12.7943 -12.7943 -12.7734 -12.7734 -12.2682 -12.2682 -5.6128 -5.6128 -5.5380 -5.5380 -4.9072 -4.9072 -4.6912 -4.6912 -4.5515 -4.5515 -4.4127 -4.4127 -3.5129 -3.5129 -3.4564 -3.4564 -1.0843 -1.0843 -0.7133 -0.7133 -0.1106 -0.1106 0.0867 0.0867 0.3091 0.3091 0.5340 0.5340 0.6972 0.6972 1.2990 1.2990 1.3542 1.3542 1.5203 1.5203 1.7684 1.7684 1.9077 1.9077 2.2709 2.2709 2.3243 2.3243 2.3906 2.3906 2.7822 2.7822 2.7950 2.7950 3.2089 3.2089 3.3070 3.3070 3.5275 3.5275 3.5989 3.5989 7.4794 7.4794 8.5753 8.5753 8.9598 8.9598 10.2590 10.2590 10.4140 10.4140 11.3244 11.3244 11.4947 11.4947 11.7608 11.7608 k = 0.4035 0.4558-0.0000 ( 8524 PWs) bands (ev): -20.7862 -20.7862 -20.7575 -20.7575 -13.8857 -13.8857 -13.8732 -13.8732 -13.3186 -13.3186 -13.1665 -13.1665 -12.7940 -12.7940 -12.7730 -12.7730 -12.2678 -12.2678 -5.6099 -5.6099 -5.5410 -5.5410 -4.9079 -4.9079 -4.6864 -4.6864 -4.5561 -4.5561 -4.4098 -4.4098 -3.5022 -3.5022 -3.4493 -3.4493 -1.0833 -1.0833 -0.7286 -0.7286 -0.1058 -0.1058 0.0766 0.0766 0.2882 0.2882 0.5467 0.5467 0.7053 0.7053 1.3026 1.3026 1.3659 1.3659 1.5085 1.5085 1.7771 1.7771 1.9030 1.9030 2.2808 2.2808 2.3375 2.3375 2.3992 2.3992 2.7522 2.7522 2.7626 2.7626 3.2145 3.2145 3.3023 3.3023 3.5335 3.5335 3.6023 3.6023 7.4401 7.4401 8.6133 8.6133 8.9691 8.9691 10.2490 10.2490 10.4755 10.4755 11.3357 11.3357 11.4570 11.4570 11.7891 11.7891 k = 0.3947 0.4710-0.0000 ( 8526 PWs) bands (ev): -20.7847 -20.7847 -20.7589 -20.7589 -13.8800 -13.8800 -13.8694 -13.8694 -13.3264 -13.3264 -13.1717 -13.1717 -12.7938 -12.7938 -12.7726 -12.7726 -12.2675 -12.2675 -5.6067 -5.6067 -5.5442 -5.5442 -4.9085 -4.9085 -4.6815 -4.6815 -4.5607 -4.5607 -4.4071 -4.4071 -3.4912 -3.4912 -3.4426 -3.4426 -1.0827 -1.0827 -0.7431 -0.7431 -0.1010 -0.1010 0.0689 0.0689 0.2668 0.2668 0.5595 0.5595 0.7121 0.7121 1.3051 1.3051 1.3780 1.3780 1.4977 1.4977 1.7859 1.7859 1.8972 1.8972 2.2894 2.2894 2.3533 2.3533 2.4091 2.4091 2.7214 2.7214 2.7295 2.7295 3.2201 3.2201 3.2975 3.2975 3.5398 3.5398 3.6051 3.6051 7.4048 7.4048 8.6491 8.6491 8.9763 8.9763 10.2333 10.2333 10.5480 10.5480 11.3458 11.3458 11.4160 11.4160 11.8181 11.8181 k = 0.3860 0.4862-0.0000 ( 8522 PWs) bands (ev): -20.7831 -20.7831 -20.7604 -20.7604 -13.8745 -13.8745 -13.8658 -13.8658 -13.3340 -13.3340 -13.1767 -13.1767 -12.7936 -12.7936 -12.7723 -12.7723 -12.2671 -12.2671 -5.6034 -5.6034 -5.5476 -5.5476 -4.9090 -4.9090 -4.6765 -4.6765 -4.5652 -4.5652 -4.4046 -4.4046 -3.4804 -3.4804 -3.4366 -3.4366 -1.0824 -1.0824 -0.7566 -0.7566 -0.0967 -0.0967 0.0641 0.0641 0.2451 0.2451 0.5719 0.5719 0.7174 0.7174 1.3068 1.3068 1.3899 1.3899 1.4881 1.4881 1.7946 1.7946 1.8906 1.8906 2.2965 2.2965 2.3716 2.3716 2.4205 2.4205 2.6900 2.6900 2.6963 2.6963 3.2258 3.2258 3.2924 3.2924 3.5464 3.5464 3.6069 3.6069 7.3738 7.3738 8.6826 8.6826 8.9809 8.9809 10.2172 10.2172 10.6254 10.6254 11.3491 11.3491 11.3785 11.3785 11.8471 11.8471 k = 0.3772 0.5014-0.0000 ( 8526 PWs) bands (ev): -20.7814 -20.7814 -20.7621 -20.7621 -13.8692 -13.8692 -13.8624 -13.8624 -13.3410 -13.3410 -13.1813 -13.1813 -12.7934 -12.7934 -12.7720 -12.7720 -12.2668 -12.2668 -5.6000 -5.6000 -5.5511 -5.5511 -4.9095 -4.9095 -4.6718 -4.6718 -4.5694 -4.5694 -4.4025 -4.4025 -3.4698 -3.4698 -3.4315 -3.4315 -1.0823 -1.0823 -0.7687 -0.7687 -0.0930 -0.0930 0.0626 0.0626 0.2234 0.2234 0.5834 0.5834 0.7213 0.7213 1.3079 1.3079 1.4014 1.4014 1.4796 1.4796 1.8033 1.8033 1.8833 1.8833 2.3020 2.3020 2.3921 2.3921 2.4333 2.4333 2.6584 2.6584 2.6634 2.6634 3.2315 3.2315 3.2872 3.2872 3.5533 3.5533 3.6077 3.6077 7.3473 7.3473 8.7136 8.7136 8.9825 8.9825 10.2029 10.2029 10.7046 10.7046 11.3184 11.3184 11.3723 11.3723 11.8753 11.8753 k = 0.3684 0.5166-0.0000 ( 8526 PWs) bands (ev): -20.7796 -20.7796 -20.7638 -20.7638 -13.8643 -13.8643 -13.8594 -13.8594 -13.3474 -13.3474 -13.1855 -13.1855 -12.7933 -12.7933 -12.7717 -12.7717 -12.2665 -12.2665 -5.5966 -5.5966 -5.5546 -5.5546 -4.9099 -4.9099 -4.6674 -4.6674 -4.5732 -4.5732 -4.4007 -4.4007 -3.4599 -3.4599 -3.4276 -3.4276 -1.0826 -1.0826 -0.7790 -0.7790 -0.0900 -0.0900 0.0646 0.0646 0.2021 0.2021 0.5937 0.5937 0.7242 0.7242 1.3084 1.3084 1.4121 1.4121 1.4720 1.4720 1.8118 1.8118 1.8755 1.8755 2.3063 2.3063 2.4143 2.4143 2.4476 2.4476 2.6270 2.6270 2.6317 2.6317 3.2372 3.2372 3.2819 3.2819 3.5604 3.5604 3.6072 3.6072 7.3254 7.3254 8.7418 8.7418 8.9810 8.9810 10.1911 10.1911 10.7833 10.7833 11.2741 11.2741 11.3773 11.3773 11.9017 11.9017 k = 0.3596 0.5318-0.0000 ( 8518 PWs) bands (ev): -20.7778 -20.7778 -20.7657 -20.7657 -13.8602 -13.8602 -13.8569 -13.8569 -13.3527 -13.3527 -13.1890 -13.1890 -12.7932 -12.7932 -12.7716 -12.7716 -12.2663 -12.2663 -5.5932 -5.5932 -5.5581 -5.5581 -4.9101 -4.9101 -4.6636 -4.6636 -4.5766 -4.5766 -4.3993 -4.3993 -3.4508 -3.4508 -3.4251 -3.4251 -1.0830 -1.0830 -0.7874 -0.7874 -0.0879 -0.0879 0.0702 0.0702 0.1815 0.1815 0.6022 0.6022 0.7261 0.7261 1.3086 1.3086 1.4218 1.4218 1.4651 1.4651 1.8201 1.8201 1.8676 1.8676 2.3094 2.3094 2.4379 2.4379 2.4635 2.4635 2.5961 2.5961 2.6014 2.6014 3.2428 3.2428 3.2766 3.2766 3.5676 3.5676 3.6053 3.6053 7.3083 7.3083 8.7668 8.7668 8.9768 8.9768 10.1822 10.1822 10.8590 10.8590 11.2294 11.2294 11.3808 11.3808 11.9256 11.9256 k = 0.3509 0.5470-0.0000 ( 8512 PWs) bands (ev): -20.7758 -20.7758 -20.7676 -20.7676 -13.8569 -13.8569 -13.8551 -13.8551 -13.3568 -13.3568 -13.1916 -13.1916 -12.7931 -12.7931 -12.7714 -12.7714 -12.2661 -12.2661 -5.5901 -5.5901 -5.5612 -5.5612 -4.9104 -4.9104 -4.6605 -4.6605 -4.5792 -4.5792 -4.3983 -4.3983 -3.4428 -3.4428 -3.4242 -3.4242 -1.0835 -1.0835 -0.7936 -0.7936 -0.0865 -0.0865 0.0789 0.0789 0.1622 0.1622 0.6085 0.6085 0.7274 0.7274 1.3086 1.3086 1.4304 1.4304 1.4590 1.4590 1.8281 1.8281 1.8596 1.8596 2.3115 2.3115 2.4625 2.4625 2.4809 2.4809 2.5666 2.5666 2.5729 2.5729 3.2483 3.2483 3.2713 3.2713 3.5750 3.5750 3.6019 3.6019 7.2961 7.2961 8.7873 8.7873 8.9710 8.9710 10.1763 10.1763 10.9277 10.9277 11.1876 11.1876 11.3814 11.3814 11.9458 11.9458 k = 0.3421 0.5622-0.0000 ( 8516 PWs) bands (ev): -20.7738 -20.7738 -20.7696 -20.7696 -13.8548 -13.8548 -13.8540 -13.8540 -13.3594 -13.3594 -13.1933 -13.1933 -12.7931 -12.7931 -12.7713 -12.7713 -12.2660 -12.2660 -5.5877 -5.5877 -5.5636 -5.5636 -4.9105 -4.9105 -4.6585 -4.6585 -4.5808 -4.5808 -4.3977 -4.3977 -3.4366 -3.4366 -3.4249 -3.4249 -1.0839 -1.0839 -0.7975 -0.7975 -0.0858 -0.0858 0.0889 0.0889 0.1458 0.1458 0.6124 0.6124 0.7283 0.7283 1.3085 1.3085 1.4374 1.4374 1.4535 1.4535 1.8356 1.8356 1.8519 1.8519 2.3128 2.3128 2.4878 2.4878 2.4995 2.4995 2.5389 2.5389 2.5465 2.5465 3.2534 3.2534 3.2663 3.2663 3.5824 3.5824 3.5969 3.5969 7.2888 7.2888 8.8015 8.8015 8.9654 8.9654 10.1731 10.1731 10.9809 10.9809 11.1541 11.1541 11.3795 11.3795 11.9609 11.9610 k = 0.3333 0.5774-0.0000 ( 8514 PWs) bands (ev): -20.7717 -20.7717 -20.7717 -20.7717 -13.8540 -13.8540 -13.8536 -13.8536 -13.3603 -13.3603 -13.1939 -13.1939 -12.7931 -12.7931 -12.7713 -12.7713 -12.2659 -12.2659 -5.5868 -5.5868 -5.5645 -5.5645 -4.9105 -4.9105 -4.6578 -4.6578 -4.5814 -4.5814 -4.3975 -4.3975 -3.4336 -3.4336 -3.4258 -3.4258 -1.0841 -1.0841 -0.7988 -0.7988 -0.0856 -0.0856 0.0946 0.0946 0.1380 0.1380 0.6136 0.6136 0.7286 0.7286 1.3084 1.3084 1.4410 1.4410 1.4504 1.4504 1.8408 1.8408 1.8466 1.8466 2.3132 2.3132 2.5116 2.5116 2.5141 2.5141 2.5160 2.5160 2.5277 2.5277 3.2564 3.2564 3.2634 3.2634 3.5890 3.5890 3.5913 3.5913 7.2864 7.2864 8.8068 8.8068 8.9629 8.9629 10.1722 10.1722 11.0021 11.0021 11.1409 11.1409 11.3778 11.3778 11.9669 11.9672 k = 0.3333 0.5774-0.0000 ( 8514 PWs) bands (ev): -20.7717 -20.7717 -20.7717 -20.7717 -13.8540 -13.8540 -13.8536 -13.8536 -13.3603 -13.3603 -13.1939 -13.1939 -12.7931 -12.7931 -12.7713 -12.7713 -12.2659 -12.2659 -5.5868 -5.5868 -5.5645 -5.5645 -4.9105 -4.9105 -4.6578 -4.6578 -4.5814 -4.5814 -4.3975 -4.3975 -3.4336 -3.4336 -3.4258 -3.4258 -1.0841 -1.0841 -0.7988 -0.7988 -0.0856 -0.0856 0.0946 0.0946 0.1380 0.1380 0.6136 0.6136 0.7286 0.7286 1.3084 1.3084 1.4410 1.4410 1.4504 1.4504 1.8408 1.8408 1.8466 1.8466 2.3132 2.3132 2.5116 2.5116 2.5141 2.5141 2.5160 2.5160 2.5277 2.5277 3.2564 3.2564 3.2634 3.2634 3.5890 3.5890 3.5913 3.5913 7.2864 7.2864 8.8068 8.8068 8.9629 8.9629 10.1722 10.1722 11.0021 11.0021 11.1409 11.1409 11.3778 11.3778 11.9668 11.9677 k = 0.3246 0.5622-0.0000 ( 8524 PWs) bands (ev): -20.7739 -20.7739 -20.7695 -20.7695 -13.8547 -13.8547 -13.8542 -13.8542 -13.3593 -13.3593 -13.1933 -13.1933 -12.7931 -12.7931 -12.7713 -12.7713 -12.2660 -12.2660 -5.5878 -5.5878 -5.5635 -5.5635 -4.9105 -4.9105 -4.6586 -4.6586 -4.5808 -4.5808 -4.3977 -4.3977 -3.4368 -3.4368 -3.4247 -3.4247 -1.0838 -1.0838 -0.7974 -0.7974 -0.0858 -0.0858 0.0881 0.0881 0.1465 0.1465 0.6124 0.6124 0.7281 0.7281 1.3085 1.3085 1.4376 1.4376 1.4532 1.4532 1.8360 1.8360 1.8516 1.8516 2.3128 2.3128 2.4906 2.4906 2.4979 2.4979 2.5387 2.5387 2.5457 2.5457 3.2535 3.2535 3.2662 3.2662 3.5815 3.5815 3.5978 3.5978 7.2888 7.2888 8.8011 8.8011 8.9659 8.9659 10.1729 10.1729 10.9853 10.9853 11.1469 11.1469 11.3819 11.3819 11.9648 11.9649 k = 0.3158 0.5470-0.0000 ( 8518 PWs) bands (ev): -20.7761 -20.7761 -20.7673 -20.7673 -13.8566 -13.8566 -13.8560 -13.8560 -13.3563 -13.3563 -13.1913 -13.1913 -12.7931 -12.7931 -12.7714 -12.7714 -12.2661 -12.2661 -5.5904 -5.5904 -5.5608 -5.5608 -4.9104 -4.9104 -4.6606 -4.6606 -4.5792 -4.5792 -4.3983 -4.3983 -3.4442 -3.4442 -3.4238 -3.4238 -1.0830 -1.0830 -0.7934 -0.7934 -0.0863 -0.0863 0.0749 0.0749 0.1657 0.1657 0.6090 0.6090 0.7265 0.7265 1.3090 1.3090 1.4314 1.4314 1.4579 1.4579 1.8299 1.8299 1.8584 1.8584 2.3116 2.3116 2.4709 2.4709 2.4788 2.4788 2.5628 2.5628 2.5714 2.5714 3.2488 3.2488 3.2708 3.2708 3.5712 3.5712 3.6055 3.6055 7.2959 7.2959 8.7849 8.7849 8.9743 8.9743 10.1747 10.1747 10.9500 10.9500 11.1457 11.1457 11.3978 11.3978 11.9653 11.9653 k = 0.3070 0.5318-0.0000 ( 8522 PWs) bands (ev): -20.7784 -20.7784 -20.7651 -20.7651 -13.8601 -13.8601 -13.8589 -13.8589 -13.3513 -13.3513 -13.1880 -13.1880 -12.7931 -12.7931 -12.7715 -12.7715 -12.2664 -12.2664 -5.5941 -5.5941 -5.5571 -5.5571 -4.9102 -4.9102 -4.6640 -4.6640 -4.5767 -4.5767 -4.3992 -4.3992 -3.4545 -3.4545 -3.4246 -3.4246 -1.0815 -1.0815 -0.7868 -0.7868 -0.0870 -0.0870 0.0605 0.0605 0.1899 0.1899 0.6038 0.6038 0.7232 0.7232 1.3098 1.3098 1.4240 1.4240 1.4628 1.4628 1.8246 1.8246 1.8651 1.8651 2.3095 2.3095 2.4540 2.4540 2.4622 2.4622 2.5871 2.5871 2.5986 2.5986 3.2439 3.2439 3.2755 3.2755 3.5591 3.5591 3.6131 3.6131 7.3075 7.3075 8.7603 8.7603 8.9863 8.9863 10.1768 10.1768 10.9087 10.9087 11.1252 11.1252 11.4250 11.4250 11.9703 11.9710 k = 0.2982 0.5166-0.0000 ( 8536 PWs) bands (ev): -20.7807 -20.7807 -20.7628 -20.7628 -13.8652 -13.8652 -13.8629 -13.8629 -13.3441 -13.3441 -13.1832 -13.1832 -12.7931 -12.7931 -12.7717 -12.7717 -12.2667 -12.2667 -5.5984 -5.5984 -5.5527 -5.5527 -4.9099 -4.9099 -4.6684 -4.6684 -4.5736 -4.5736 -4.4006 -4.4006 -3.4674 -3.4674 -3.4276 -3.4276 -1.0792 -1.0792 -0.7775 -0.7775 -0.0879 -0.0879 0.0466 0.0466 0.2172 0.2172 0.5972 0.5972 0.7178 0.7178 1.3110 1.3110 1.4158 1.4158 1.4680 1.4680 1.8205 1.8205 1.8716 1.8716 2.3066 2.3066 2.4402 2.4402 2.4486 2.4486 2.6122 2.6122 2.6265 2.6265 3.2391 3.2391 3.2801 3.2801 3.5452 3.5452 3.6208 3.6208 7.3235 7.3235 8.7295 8.7295 9.0002 9.0002 10.1785 10.1785 10.8655 10.8655 11.0882 11.0882 11.4571 11.4571 11.9805 11.9819 k = 0.2895 0.5014-0.0000 ( 8532 PWs) bands (ev): -20.7831 -20.7831 -20.7604 -20.7604 -13.8719 -13.8719 -13.8680 -13.8680 -13.3349 -13.3349 -13.1769 -13.1769 -12.7931 -12.7931 -12.7718 -12.7718 -12.2672 -12.2672 -5.6030 -5.6030 -5.5479 -5.5479 -4.9096 -4.9096 -4.6736 -4.6736 -4.5702 -4.5702 -4.4022 -4.4022 -3.4828 -3.4828 -3.4330 -3.4330 -1.0758 -1.0758 -0.7658 -0.7658 -0.0891 -0.0891 0.0338 0.0338 0.2469 0.2469 0.5895 0.5895 0.7099 0.7099 1.3125 1.3125 1.4068 1.4068 1.4743 1.4743 1.8180 1.8180 1.8780 1.8780 2.3030 2.3030 2.4293 2.4293 2.4380 2.4380 2.6382 2.6382 2.6549 2.6549 3.2345 3.2345 3.2844 3.2844 3.5296 3.5296 3.6285 3.6285 7.3436 7.3436 8.6944 8.6944 9.0146 9.0146 10.1791 10.1791 10.8217 10.8217 11.0399 11.0399 11.4886 11.4886 11.9757 11.9759 k = 0.2807 0.4862-0.0000 ( 8528 PWs) bands (ev): -20.7856 -20.7856 -20.7580 -20.7580 -13.8800 -13.8800 -13.8741 -13.8741 -13.3237 -13.3237 -13.1692 -13.1692 -12.7931 -12.7931 -12.7720 -12.7720 -12.2679 -12.2679 -5.6079 -5.6079 -5.5429 -5.5429 -4.9093 -4.9093 -4.6796 -4.6796 -4.5666 -4.5666 -4.4041 -4.4041 -3.5007 -3.5007 -3.4408 -3.4408 -1.0715 -1.0715 -0.7517 -0.7517 -0.0905 -0.0905 0.0224 0.0224 0.2784 0.2784 0.5810 0.5810 0.6992 0.6992 1.3138 1.3138 1.3970 1.3970 1.4820 1.4820 1.8173 1.8173 1.8841 1.8841 2.2986 2.2986 2.4210 2.4210 2.4304 2.4304 2.6649 2.6649 2.6836 2.6836 3.2301 3.2301 3.2885 3.2885 3.5122 3.5122 3.6361 3.6361 7.3675 7.3675 8.6562 8.6562 9.0286 9.0286 10.1780 10.1780 10.7779 10.7779 10.9840 10.9840 11.5161 11.5161 11.9352 11.9352 k = 0.2719 0.4710-0.0000 ( 8520 PWs) bands (ev): -20.7880 -20.7880 -20.7557 -20.7557 -13.8894 -13.8894 -13.8813 -13.8813 -13.3106 -13.3106 -13.1601 -13.1601 -12.7931 -12.7931 -12.7722 -12.7722 -12.2686 -12.2686 -5.6129 -5.6129 -5.5377 -5.5377 -4.9088 -4.9088 -4.6861 -4.6861 -4.5631 -4.5631 -4.4062 -4.4062 -3.5210 -3.5210 -3.4512 -3.4512 -1.0660 -1.0660 -0.7356 -0.7356 -0.0921 -0.0921 0.0124 0.0124 0.3113 0.3113 0.5723 0.5723 0.6859 0.6859 1.3148 1.3148 1.3866 1.3866 1.4920 1.4920 1.8187 1.8187 1.8900 1.8900 2.2935 2.2935 2.4153 2.4153 2.4256 2.4256 2.6924 2.6924 2.7125 2.7125 3.2259 3.2259 3.2924 3.2924 3.4933 3.4933 3.6436 3.6436 7.3949 7.3949 8.6158 8.6158 9.0419 9.0419 10.1745 10.1745 10.7344 10.7344 10.9229 10.9229 11.5381 11.5381 11.8853 11.8853 k = 0.2632 0.4558-0.0000 ( 8526 PWs) bands (ev): -20.7905 -20.7905 -20.7533 -20.7533 -13.9000 -13.9000 -13.8894 -13.8894 -13.2959 -13.2959 -13.1497 -13.1497 -12.7930 -12.7930 -12.7724 -12.7724 -12.2696 -12.2696 -5.6180 -5.6180 -5.5323 -5.5323 -4.9084 -4.9084 -4.6932 -4.6932 -4.5598 -4.5598 -4.4085 -4.4085 -3.5436 -3.5436 -3.4641 -3.4641 -1.0596 -1.0596 -0.7177 -0.7177 -0.0938 -0.0938 0.0041 0.0041 0.3449 0.3449 0.5635 0.5635 0.6698 0.6698 1.3151 1.3151 1.3758 1.3758 1.5047 1.5047 1.8222 1.8222 1.8958 1.8958 2.2877 2.2877 2.4118 2.4118 2.4233 2.4233 2.7205 2.7205 2.7416 2.7416 3.2220 3.2220 3.2960 3.2960 3.4729 3.4729 3.6510 3.6510 7.4253 7.4253 8.5739 8.5739 9.0541 9.0541 10.1683 10.1683 10.6912 10.6912 10.8585 10.8585 11.5531 11.5531 11.8336 11.8336 k = 0.2544 0.4406-0.0000 ( 8538 PWs) bands (ev): -20.7931 -20.7931 -20.7509 -20.7509 -13.9115 -13.9115 -13.8984 -13.8984 -13.2796 -13.2796 -13.1380 -13.1380 -12.7929 -12.7929 -12.7726 -12.7726 -12.2707 -12.2707 -5.6232 -5.6232 -5.5269 -5.5269 -4.9079 -4.9079 -4.7006 -4.7006 -4.5569 -4.5569 -4.4110 -4.4110 -3.5683 -3.5683 -3.4794 -3.4794 -1.0521 -1.0521 -0.6983 -0.6983 -0.0954 -0.0954 -0.0027 -0.0027 0.3783 0.3783 0.5556 0.5556 0.6514 0.6514 1.3144 1.3144 1.3650 1.3650 1.5204 1.5204 1.8281 1.8281 1.9014 1.9014 2.2815 2.2815 2.4104 2.4104 2.4233 2.4233 2.7492 2.7492 2.7708 2.7708 3.2183 3.2183 3.2993 3.2993 3.4512 3.4512 3.6583 3.6583 7.4585 7.4585 8.5310 8.5310 9.0650 9.0650 10.1589 10.1589 10.6481 10.6481 10.7918 10.7918 11.5588 11.5588 11.7850 11.7850 k = 0.2456 0.4254-0.0000 ( 8540 PWs) bands (ev): -20.7956 -20.7956 -20.7485 -20.7485 -13.9238 -13.9238 -13.9082 -13.9082 -13.2619 -13.2619 -13.1251 -13.1251 -12.7927 -12.7927 -12.7728 -12.7728 -12.2719 -12.2719 -5.6284 -5.6284 -5.5213 -5.5213 -4.9073 -4.9073 -4.7085 -4.7085 -4.5543 -4.5543 -4.4135 -4.4135 -3.5949 -3.5949 -3.4971 -3.4971 -1.0437 -1.0437 -0.6777 -0.6777 -0.0968 -0.0968 -0.0078 -0.0078 0.4097 0.4097 0.5500 0.5500 0.6311 0.6311 1.3126 1.3126 1.3542 1.3542 1.5395 1.5395 1.8364 1.8364 1.9071 1.9071 2.2747 2.2747 2.4109 2.4109 2.4252 2.4252 2.7783 2.7783 2.8001 2.8001 3.2148 3.2148 3.3024 3.3024 3.4283 3.4283 3.6654 3.6654 7.4940 7.4940 8.4876 8.4876 9.0748 9.0748 10.1459 10.1459 10.6048 10.6048 10.7242 10.7242 11.5507 11.5507 11.7456 11.7456 k = 0.2368 0.4102-0.0000 ( 8534 PWs) bands (ev): -20.7981 -20.7981 -20.7461 -20.7461 -13.9367 -13.9367 -13.9187 -13.9187 -13.2430 -13.2430 -13.1113 -13.1113 -12.7925 -12.7925 -12.7730 -12.7730 -12.2734 -12.2734 -5.6337 -5.6337 -5.5156 -5.5156 -4.9068 -4.9068 -4.7167 -4.7167 -4.5522 -4.5522 -4.4161 -4.4161 -3.6232 -3.6232 -3.5171 -3.5171 -1.0345 -1.0345 -0.6564 -0.6564 -0.0978 -0.0978 -0.0113 -0.0113 0.4355 0.4355 0.5496 0.5496 0.6094 0.6094 1.3098 1.3098 1.3439 1.3439 1.5617 1.5617 1.8472 1.8472 1.9127 1.9127 2.2675 2.2675 2.4130 2.4130 2.4287 2.4287 2.8078 2.8078 2.8295 2.8295 3.2116 3.2116 3.3051 3.3051 3.4044 3.4044 3.6723 3.6723 7.5313 7.5313 8.4441 8.4441 9.0834 9.0834 10.1292 10.1292 10.5603 10.5603 10.6571 10.6571 11.5242 11.5242 11.7211 11.7212 k = 0.2281 0.3950-0.0000 ( 8534 PWs) bands (ev): -20.8006 -20.8006 -20.7437 -20.7437 -13.9502 -13.9502 -13.9297 -13.9297 -13.2232 -13.2232 -13.0965 -13.0965 -12.7923 -12.7923 -12.7731 -12.7731 -12.2750 -12.2750 -5.6389 -5.6389 -5.5099 -5.5099 -4.9062 -4.9062 -4.7251 -4.7251 -4.5505 -4.5505 -4.4187 -4.4187 -3.6531 -3.6531 -3.5391 -3.5391 -1.0246 -1.0246 -0.6347 -0.6347 -0.0980 -0.0980 -0.0133 -0.0133 0.4505 0.4505 0.5573 0.5573 0.5891 0.5891 1.3059 1.3059 1.3342 1.3342 1.5870 1.5870 1.8605 1.8605 1.9184 1.9184 2.2600 2.2600 2.4165 2.4165 2.4336 2.4336 2.8376 2.8376 2.8588 2.8588 3.2085 3.2085 3.3077 3.3077 3.3798 3.3798 3.6790 3.6790 7.5699 7.5699 8.4010 8.4010 9.0909 9.0909 10.1086 10.1086 10.5126 10.5126 10.5930 10.5930 11.4804 11.4804 11.7117 11.7117 k = 0.2193 0.3798-0.0000 ( 8526 PWs) bands (ev): -20.8031 -20.8031 -20.7414 -20.7414 -13.9640 -13.9640 -13.9412 -13.9412 -13.2024 -13.2024 -13.0810 -13.0810 -12.7920 -12.7920 -12.7733 -12.7733 -12.2768 -12.2768 -5.6442 -5.6442 -5.5042 -5.5042 -4.9056 -4.9056 -4.7338 -4.7338 -4.5494 -4.5494 -4.4214 -4.4214 -3.6843 -3.6843 -3.5630 -3.5630 -1.0143 -1.0143 -0.6131 -0.6131 -0.0974 -0.0974 -0.0137 -0.0137 0.4528 0.4528 0.5533 0.5533 0.5919 0.5919 1.3012 1.3012 1.3253 1.3253 1.6149 1.6149 1.8761 1.8761 1.9243 1.9243 2.2521 2.2521 2.4212 2.4212 2.4395 2.4395 2.8676 2.8676 2.8879 2.8879 3.2055 3.2055 3.3098 3.3098 3.3548 3.3548 3.6853 3.6853 7.6093 7.6093 8.3586 8.3586 9.0976 9.0976 10.0842 10.0842 10.4587 10.4587 10.5350 10.5350 11.4253 11.4253 11.7117 11.7118 k = 0.2105 0.3646-0.0000 ( 8522 PWs) bands (ev): -20.8056 -20.8056 -20.7391 -20.7391 -13.9780 -13.9780 -13.9531 -13.9531 -13.1809 -13.1809 -13.0648 -13.0648 -12.7916 -12.7916 -12.7734 -12.7734 -12.2788 -12.2788 -5.6494 -5.6494 -5.4984 -5.4984 -4.9050 -4.9050 -4.7427 -4.7427 -4.5487 -4.5487 -4.4241 -4.4241 -3.7165 -3.7165 -3.5886 -3.5886 -1.0038 -1.0038 -0.5919 -0.5919 -0.0957 -0.0957 -0.0127 -0.0127 0.4464 0.4464 0.5311 0.5311 0.6207 0.6207 1.2959 1.2959 1.3173 1.3173 1.6450 1.6450 1.8942 1.8942 1.9305 1.9305 2.2439 2.2439 2.4269 2.4269 2.4463 2.4463 2.8976 2.8976 2.9170 2.9170 3.2024 3.2024 3.3109 3.3109 3.3306 3.3306 3.6913 3.6913 7.6488 7.6488 8.3173 8.3173 9.1038 9.1038 10.0559 10.0559 10.3973 10.3973 10.4848 10.4848 11.3642 11.3642 11.7165 11.7165 k = 0.2018 0.3494-0.0000 ( 8526 PWs) bands (ev): -20.8081 -20.8081 -20.7368 -20.7368 -13.9922 -13.9922 -13.9652 -13.9652 -13.1589 -13.1589 -13.0480 -13.0480 -12.7912 -12.7912 -12.7735 -12.7735 -12.2810 -12.2810 -5.6547 -5.6547 -5.4925 -5.4925 -4.9044 -4.9044 -4.7518 -4.7518 -4.5484 -4.5484 -4.4268 -4.4268 -3.7496 -3.7496 -3.6157 -3.6157 -0.9931 -0.9931 -0.5715 -0.5715 -0.0926 -0.0926 -0.0102 -0.0102 0.4352 0.4352 0.5066 0.5066 0.6559 0.6559 1.2901 1.2901 1.3103 1.3103 1.6770 1.6770 1.9143 1.9143 1.9374 1.9374 2.2355 2.2355 2.4334 2.4334 2.4538 2.4538 2.9275 2.9275 2.9457 2.9457 3.1987 3.1987 3.3013 3.3013 3.3175 3.3175 3.6970 3.6970 7.6879 7.6879 8.2775 8.2775 9.1097 9.1097 10.0240 10.0240 10.3306 10.3306 10.4404 10.4404 11.3000 11.3000 11.7228 11.7228 k = 0.1930 0.3343-0.0000 ( 8518 PWs) bands (ev): -20.8105 -20.8105 -20.7346 -20.7346 -14.0063 -14.0063 -13.9774 -13.9774 -13.1364 -13.1364 -13.0309 -13.0309 -12.7908 -12.7908 -12.7735 -12.7735 -12.2834 -12.2834 -5.6598 -5.6598 -5.4867 -5.4867 -4.9039 -4.9039 -4.7609 -4.7609 -4.5486 -4.5486 -4.4296 -4.4296 -3.7833 -3.7833 -3.6439 -3.6439 -0.9826 -0.9826 -0.5522 -0.5522 -0.0882 -0.0882 -0.0063 -0.0063 0.4212 0.4212 0.4822 0.4822 0.6934 0.6934 1.2841 1.2841 1.3041 1.3041 1.7101 1.7101 1.9361 1.9361 1.9454 1.9454 2.2271 2.2271 2.4404 2.4404 2.4618 2.4618 2.9571 2.9571 2.9741 2.9741 3.1937 3.1937 3.2794 3.2794 3.3179 3.3179 3.7021 3.7021 7.7258 7.7258 8.2395 8.2395 9.1159 9.1159 9.9887 9.9887 10.2612 10.2612 10.3991 10.3991 11.2340 11.2340 11.7265 11.7266 k = 0.1842 0.3191-0.0000 ( 8518 PWs) bands (ev): -20.8129 -20.8129 -20.7324 -20.7324 -14.0204 -14.0204 -13.9897 -13.9897 -13.1137 -13.1137 -13.0136 -13.0136 -12.7903 -12.7903 -12.7735 -12.7735 -12.2860 -12.2860 -5.6649 -5.6649 -5.4808 -5.4808 -4.9035 -4.9035 -4.7700 -4.7700 -4.5491 -4.5491 -4.4325 -4.4325 -3.8174 -3.8174 -3.6731 -3.6731 -0.9724 -0.9724 -0.5344 -0.5344 -0.0823 -0.0823 -0.0010 -0.0010 0.4053 0.4053 0.4586 0.4586 0.7318 0.7318 1.2781 1.2781 1.2986 1.2986 1.7436 1.7436 1.9527 1.9527 1.9614 1.9614 2.2189 2.2189 2.4479 2.4479 2.4701 2.4701 2.9860 2.9860 3.0021 3.0021 3.1863 3.1863 3.2594 3.2594 3.3196 3.3196 3.7068 3.7068 7.7619 7.7619 8.2038 8.2038 9.1228 9.1228 9.9502 9.9502 10.1909 10.1909 10.3594 10.3594 11.1673 11.1673 11.7199 11.7202 k = 0.1754 0.3039-0.0000 ( 8520 PWs) bands (ev): -20.8153 -20.8153 -20.7303 -20.7303 -14.0342 -14.0342 -14.0019 -14.0019 -13.0907 -13.0907 -12.9961 -12.9961 -12.7897 -12.7897 -12.7735 -12.7735 -12.2888 -12.2888 -5.6700 -5.6700 -5.4750 -5.4750 -4.9033 -4.9033 -4.7791 -4.7791 -4.5498 -4.5498 -4.4354 -4.4354 -3.8517 -3.8517 -3.7030 -3.7030 -0.9627 -0.9627 -0.5181 -0.5181 -0.0749 -0.0749 0.0057 0.0057 0.3879 0.3879 0.4362 0.4362 0.7707 0.7707 1.2722 1.2722 1.2937 1.2937 1.7766 1.7766 1.9641 1.9641 1.9857 1.9857 2.2113 2.2113 2.4556 2.4556 2.4787 2.4787 3.0136 3.0136 3.0294 3.0294 3.1752 3.1752 3.2443 3.2443 3.3216 3.3216 3.7109 3.7109 7.7952 7.7952 8.1709 8.1709 9.1309 9.1309 9.9086 9.9086 10.1206 10.1206 10.3207 10.3207 11.1002 11.1002 11.7046 11.7050 k = 0.1667 0.2887-0.0000 ( 8528 PWs) bands (ev): -20.8175 -20.8175 -20.7282 -20.7282 -14.0478 -14.0478 -14.0140 -14.0140 -13.0678 -13.0678 -12.9786 -12.9786 -12.7891 -12.7891 -12.7734 -12.7734 -12.2918 -12.2918 -5.6749 -5.6749 -5.4692 -5.4692 -4.9032 -4.9032 -4.7880 -4.7880 -4.5508 -4.5508 -4.4385 -4.4385 -3.8859 -3.8859 -3.7333 -3.7333 -0.9536 -0.9536 -0.5036 -0.5036 -0.0662 -0.0662 0.0136 0.0136 0.3695 0.3695 0.4154 0.4154 0.8095 0.8095 1.2665 1.2665 1.2893 1.2893 1.8075 1.8075 1.9782 1.9782 2.0105 2.0105 2.2051 2.2051 2.4634 2.4634 2.4874 2.4874 3.0383 3.0383 3.0559 3.0559 3.1613 3.1613 3.2348 3.2348 3.3238 3.3238 3.7144 3.7144 7.8251 7.8251 8.1414 8.1414 9.1406 9.1406 9.8643 9.8643 10.0510 10.0510 10.2827 10.2827 11.0333 11.0333 11.6882 11.6883 k = 0.1579 0.2735-0.0000 ( 8529 PWs) bands (ev): -20.8198 -20.8198 -20.7262 -20.7262 -14.0610 -14.0610 -14.0259 -14.0259 -13.0449 -13.0449 -12.9612 -12.9612 -12.7885 -12.7885 -12.7734 -12.7734 -12.2950 -12.2950 -5.6798 -5.6798 -5.4634 -5.4634 -4.9034 -4.9034 -4.7966 -4.7966 -4.5519 -4.5519 -4.4417 -4.4417 -3.9198 -3.9198 -3.7638 -3.7638 -0.9452 -0.9452 -0.4910 -0.4910 -0.0562 -0.0562 0.0227 0.0227 0.3504 0.3504 0.3961 0.3961 0.8480 0.8480 1.2612 1.2612 1.2854 1.2854 1.8350 1.8350 1.9964 1.9964 2.0339 2.0339 2.2014 2.2014 2.4713 2.4713 2.4961 2.4961 3.0561 3.0561 3.0814 3.0814 3.1499 3.1499 3.2298 3.2298 3.3263 3.3263 3.7173 3.7173 7.8504 7.8504 8.1159 8.1159 9.1526 9.1526 9.8174 9.8174 9.9824 9.9824 10.2454 10.2454 10.9667 10.9667 11.6725 11.6726 k = 0.1491 0.2583-0.0000 ( 8533 PWs) bands (ev): -20.8219 -20.8219 -20.7243 -20.7243 -14.0739 -14.0739 -14.0376 -14.0376 -13.0222 -13.0222 -12.9440 -12.9440 -12.7878 -12.7878 -12.7732 -12.7732 -12.2984 -12.2984 -5.6845 -5.6845 -5.4577 -5.4577 -4.9040 -4.9040 -4.8048 -4.8048 -4.5532 -4.5532 -4.4449 -4.4449 -3.9532 -3.9532 -3.7942 -3.7942 -0.9376 -0.9376 -0.4801 -0.4801 -0.0452 -0.0452 0.0327 0.0327 0.3313 0.3313 0.3782 0.3782 0.8861 0.8861 1.2562 1.2562 1.2818 1.2818 1.8577 1.8577 2.0197 2.0197 2.0539 2.0539 2.2024 2.2024 2.4791 2.4791 2.5047 2.5047 3.0589 3.0589 3.1057 3.1057 3.1507 3.1507 3.2276 3.2276 3.3292 3.3292 3.7195 3.7195 7.8702 7.8702 8.0952 8.0952 9.1672 9.1672 9.7682 9.7682 9.9153 9.9153 10.2089 10.2089 10.9008 10.9008 11.6582 11.6582 k = 0.1404 0.2431-0.0000 ( 8521 PWs) bands (ev): -20.8239 -20.8239 -20.7225 -20.7225 -14.0863 -14.0863 -14.0488 -14.0488 -12.9998 -12.9998 -12.9272 -12.9272 -12.7871 -12.7871 -12.7731 -12.7731 -12.3020 -12.3020 -5.6891 -5.6891 -5.4521 -5.4521 -4.9050 -4.9050 -4.8124 -4.8124 -4.5545 -4.5545 -4.4483 -4.4483 -3.9860 -3.9860 -3.8243 -3.8243 -0.9309 -0.9309 -0.4710 -0.4710 -0.0334 -0.0334 0.0435 0.0435 0.3127 0.3127 0.3617 0.3617 0.9237 0.9237 1.2516 1.2516 1.2785 1.2785 1.8752 1.8752 2.0472 2.0472 2.0686 2.0686 2.2105 2.2105 2.4867 2.4867 2.5131 2.5131 3.0456 3.0456 3.1287 3.1287 3.1657 3.1657 3.2271 3.2271 3.3328 3.3328 3.7210 3.7210 7.8836 7.8836 8.0801 8.0801 9.1847 9.1847 9.7170 9.7170 9.8501 9.8501 10.1733 10.1733 10.8356 10.8356 11.6453 11.6473 k = 0.1316 0.2279-0.0000 ( 8533 PWs) bands (ev): -20.8259 -20.8259 -20.7208 -20.7208 -14.0981 -14.0981 -14.0597 -14.0597 -12.9778 -12.9778 -12.9109 -12.9109 -12.7863 -12.7863 -12.7729 -12.7729 -12.3057 -12.3057 -5.6936 -5.6936 -5.4465 -5.4465 -4.9066 -4.9066 -4.8192 -4.8192 -4.5558 -4.5558 -4.4518 -4.4518 -4.0180 -4.0180 -3.8538 -3.8538 -0.9250 -0.9250 -0.4635 -0.4635 -0.0211 -0.0211 0.0549 0.0549 0.2950 0.2950 0.3464 0.3464 0.9605 0.9605 1.2473 1.2473 1.2754 1.2754 1.8882 1.8882 2.0664 2.0664 2.0881 2.0881 2.2269 2.2269 2.4941 2.4941 2.5213 2.5213 3.0240 3.0240 3.1500 3.1500 3.1877 3.1877 3.2278 3.2278 3.3373 3.3373 3.7217 3.7217 7.8906 7.8906 8.0706 8.0706 9.2051 9.2051 9.6642 9.6642 9.7870 9.7870 10.1389 10.1389 10.7713 10.7713 11.6340 11.6340 k = 0.1228 0.2127-0.0000 ( 8533 PWs) bands (ev): -20.8278 -20.8278 -20.7191 -20.7191 -14.1094 -14.1094 -14.0701 -14.0701 -12.9564 -12.9564 -12.8951 -12.8951 -12.7856 -12.7856 -12.7727 -12.7727 -12.3096 -12.3096 -5.6979 -5.6979 -5.4411 -5.4411 -4.9089 -4.9089 -4.8252 -4.8252 -4.5572 -4.5572 -4.4552 -4.4552 -4.0488 -4.0488 -3.8825 -3.8825 -0.9200 -0.9200 -0.4575 -0.4575 -0.0085 -0.0085 0.0666 0.0666 0.2786 0.2786 0.3323 0.3323 0.9965 0.9965 1.2434 1.2434 1.2725 1.2725 1.8976 1.8976 2.0669 2.0669 2.1227 2.1227 2.2501 2.2501 2.5011 2.5011 2.5292 2.5292 2.9992 2.9992 3.1693 3.1693 3.2113 3.2113 3.2299 3.2299 3.3428 3.3428 3.7218 3.7218 7.8919 7.8919 8.0660 8.0660 9.2284 9.2284 9.6102 9.6102 9.7265 9.7265 10.1060 10.1060 10.7080 10.7080 11.6243 11.6243 k = 0.1140 0.1975-0.0000 ( 8531 PWs) bands (ev): -20.8296 -20.8296 -20.7176 -20.7176 -14.1201 -14.1201 -14.0800 -14.0800 -12.9357 -12.9357 -12.8799 -12.8799 -12.7848 -12.7848 -12.7724 -12.7724 -12.3136 -12.3136 -5.7020 -5.7020 -5.4358 -5.4358 -4.9118 -4.9118 -4.8302 -4.8302 -4.5585 -4.5585 -4.4587 -4.4587 -4.0785 -4.0785 -3.9102 -3.9102 -0.9158 -0.9158 -0.4528 -0.4528 0.0041 0.0041 0.0782 0.0782 0.2637 0.2637 0.3194 0.3194 1.0314 1.0314 1.2400 1.2400 1.2699 1.2699 1.9046 1.9046 2.0606 2.0606 2.1610 2.1610 2.2778 2.2778 2.5078 2.5078 2.5367 2.5367 2.9731 2.9731 3.1862 3.1862 3.2275 3.2275 3.2404 3.2404 3.3495 3.3495 3.7211 3.7211 7.8893 7.8893 8.0648 8.0648 9.2540 9.2540 9.5561 9.5561 9.6689 9.6689 10.0747 10.0747 10.6460 10.6460 11.6161 11.6161 k = 0.1053 0.1823-0.0000 ( 8539 PWs) bands (ev): -20.8312 -20.8312 -20.7161 -20.7161 -14.1302 -14.1302 -14.0894 -14.0894 -12.9158 -12.9158 -12.8656 -12.8656 -12.7839 -12.7839 -12.7721 -12.7721 -12.3177 -12.3177 -5.7060 -5.7060 -5.4307 -5.4307 -4.9154 -4.9154 -4.8342 -4.8342 -4.5598 -4.5598 -4.4621 -4.4621 -4.1069 -4.1069 -3.9366 -3.9366 -0.9124 -0.9124 -0.4492 -0.4492 0.0163 0.0163 0.0894 0.0894 0.2506 0.2506 0.3078 0.3078 1.0651 1.0651 1.2371 1.2371 1.2674 1.2674 1.9098 1.9098 2.0509 2.0509 2.2007 2.2007 2.3077 2.3077 2.5141 2.5141 2.5439 2.5439 2.9465 2.9465 3.2005 3.2005 3.2315 3.2315 3.2633 3.2633 3.3576 3.3576 3.7197 3.7197 7.8845 7.8845 8.0654 8.0654 9.2805 9.2805 9.5033 9.5033 9.6145 9.6145 10.0452 10.0452 10.5852 10.5852 11.6094 11.6094 k = 0.0965 0.1671-0.0000 ( 8527 PWs) bands (ev): -20.8328 -20.8328 -20.7148 -20.7148 -14.1395 -14.1395 -14.0981 -14.0981 -12.8968 -12.8968 -12.8521 -12.8521 -12.7830 -12.7830 -12.7718 -12.7718 -12.3219 -12.3219 -5.7097 -5.7097 -5.4258 -5.4258 -4.9196 -4.9196 -4.8372 -4.8372 -4.5610 -4.5610 -4.4654 -4.4654 -4.1337 -4.1337 -3.9617 -3.9617 -0.9096 -0.9096 -0.4467 -0.4467 0.0279 0.0279 0.0999 0.0999 0.2393 0.2393 0.2976 0.2976 1.0973 1.0973 1.2346 1.2346 1.2653 1.2653 1.9136 1.9136 2.0394 2.0394 2.2407 2.2407 2.3385 2.3385 2.5200 2.5200 2.5506 2.5506 2.9198 2.9198 3.2120 3.2120 3.2346 3.2346 3.2867 3.2867 3.3670 3.3670 3.7177 3.7177 7.8791 7.8791 8.0666 8.0666 9.3037 9.3037 9.4561 9.4561 9.5641 9.5641 10.0179 10.0179 10.5257 10.5257 11.6042 11.6042 k = 0.0877 0.1519-0.0000 ( 8523 PWs) bands (ev): -20.8342 -20.8342 -20.7135 -20.7135 -14.1482 -14.1482 -14.1062 -14.1062 -12.8788 -12.8788 -12.8396 -12.8396 -12.7821 -12.7821 -12.7713 -12.7713 -12.3260 -12.3260 -5.7131 -5.7131 -5.4211 -5.4211 -4.9242 -4.9242 -4.8394 -4.8394 -4.5621 -4.5621 -4.4685 -4.4685 -4.1588 -4.1588 -3.9851 -3.9851 -0.9075 -0.9075 -0.4449 -0.4449 0.0386 0.0386 0.1095 0.1095 0.2300 0.2300 0.2889 0.2889 1.1275 1.1275 1.2330 1.2330 1.2637 1.2637 1.9165 1.9165 2.0267 2.0267 2.2805 2.2805 2.3690 2.3690 2.5255 2.5255 2.5568 2.5568 2.8934 2.8934 3.2207 3.2207 3.2380 3.2380 3.3093 3.3093 3.3775 3.3775 3.7151 3.7151 7.8741 7.8741 8.0679 8.0679 9.3113 9.3113 9.4258 9.4258 9.5188 9.5188 9.9929 9.9929 10.4676 10.4676 11.6004 11.6004 k = 0.0789 0.1367-0.0000 ( 8523 PWs) bands (ev): -20.8356 -20.8356 -20.7124 -20.7124 -14.1561 -14.1561 -14.1137 -14.1137 -12.8621 -12.8621 -12.8282 -12.8282 -12.7812 -12.7812 -12.7708 -12.7708 -12.3301 -12.3301 -5.7163 -5.7163 -5.4167 -5.4167 -4.9290 -4.9290 -4.8409 -4.8409 -4.5632 -4.5632 -4.4714 -4.4714 -4.1822 -4.1822 -4.0068 -4.0068 -0.9058 -0.9058 -0.4439 -0.4439 0.0482 0.0482 0.1178 0.1178 0.2227 0.2227 0.2818 0.2818 1.1547 1.1547 1.2323 1.2323 1.2629 1.2629 1.9185 1.9185 2.0135 2.0135 2.3195 2.3195 2.3985 2.3985 2.5306 2.5306 2.5626 2.5626 2.8672 2.8672 3.2269 3.2269 3.2417 3.2417 3.3305 3.3305 3.3888 3.3888 3.7121 3.7121 7.8699 7.8699 8.0690 8.0690 9.2881 9.2881 9.4223 9.4223 9.4845 9.4845 9.9703 9.9703 10.4110 10.4110 11.5979 11.5979 k = 0.0702 0.1215-0.0000 ( 8529 PWs) bands (ev): -20.8368 -20.8368 -20.7113 -20.7113 -14.1632 -14.1632 -14.1204 -14.1204 -12.8468 -12.8468 -12.8180 -12.8180 -12.7801 -12.7801 -12.7702 -12.7702 -12.3341 -12.3341 -5.7193 -5.7193 -5.4127 -5.4127 -4.9339 -4.9339 -4.8418 -4.8418 -4.5642 -4.5642 -4.4740 -4.4740 -4.2036 -4.2036 -4.0266 -4.0266 -0.9046 -0.9046 -0.4434 -0.4434 0.0565 0.0565 0.1247 0.1247 0.2174 0.2174 0.2764 0.2764 1.1775 1.1775 1.2332 1.2332 1.2636 1.2636 1.9199 1.9199 2.0003 2.0003 2.3575 2.3575 2.4264 2.4264 2.5352 2.5352 2.5678 2.5678 2.8413 2.8413 3.2313 3.2313 3.2454 3.2454 3.3502 3.3502 3.4002 3.4002 3.7088 3.7088 7.8667 7.8667 8.0701 8.0701 9.2468 9.2468 9.4108 9.4108 9.4837 9.4837 9.9505 9.9505 10.3560 10.3560 11.5966 11.5966 k = 0.0614 0.1064-0.0000 ( 8525 PWs) bands (ev): -20.8378 -20.8378 -20.7104 -20.7104 -14.1696 -14.1696 -14.1264 -14.1264 -12.8330 -12.8330 -12.8092 -12.8092 -12.7789 -12.7789 -12.7693 -12.7693 -12.3379 -12.3379 -5.7219 -5.7219 -5.4089 -5.4089 -4.9386 -4.9386 -4.8424 -4.8424 -4.5651 -4.5651 -4.4762 -4.4762 -4.2230 -4.2230 -4.0444 -4.0444 -0.9038 -0.9038 -0.4433 -0.4433 0.0633 0.0633 0.1300 0.1300 0.2139 0.2139 0.2725 0.2725 1.1936 1.1936 1.2361 1.2361 1.2675 1.2675 1.9206 1.9206 1.9874 1.9874 2.3942 2.3942 2.4520 2.4520 2.5395 2.5395 2.5724 2.5724 2.8158 2.8158 3.2344 3.2344 3.2487 3.2487 3.3681 3.3681 3.4114 3.4114 3.7053 3.7053 7.8645 7.8645 8.0711 8.0711 9.2016 9.2016 9.3819 9.3819 9.5120 9.5120 9.9337 9.9337 10.3026 10.3026 11.5965 11.5965 k = 0.0526 0.0912-0.0000 ( 8541 PWs) bands (ev): -20.8387 -20.8387 -20.7096 -20.7096 -14.1751 -14.1751 -14.1316 -14.1316 -12.8210 -12.8210 -12.8017 -12.8017 -12.7776 -12.7776 -12.7682 -12.7682 -12.3415 -12.3415 -5.7242 -5.7242 -5.4056 -5.4056 -4.9430 -4.9430 -4.8426 -4.8426 -4.5659 -4.5659 -4.4781 -4.4781 -4.2401 -4.2401 -4.0600 -4.0600 -0.9032 -0.9032 -0.4434 -0.4434 0.0687 0.0687 0.1339 0.1339 0.2120 0.2120 0.2700 0.2700 1.2021 1.2021 1.2394 1.2394 1.2766 1.2766 1.9206 1.9206 1.9755 1.9755 2.4291 2.4291 2.4751 2.4751 2.5436 2.5436 2.5765 2.5765 2.7907 2.7907 3.2368 3.2368 3.2515 3.2515 3.3841 3.3841 3.4220 3.4220 3.7018 3.7018 7.8631 7.8631 8.0724 8.0724 9.1578 9.1578 9.3523 9.3523 9.5476 9.5476 9.9202 9.9202 10.2510 10.2510 11.5975 11.5976 k = 0.0439 0.0760-0.0000 ( 8545 PWs) bands (ev): -20.8395 -20.8395 -20.7090 -20.7090 -14.1798 -14.1798 -14.1361 -14.1361 -12.8110 -12.8110 -12.7958 -12.7958 -12.7761 -12.7761 -12.7668 -12.7668 -12.3446 -12.3446 -5.7262 -5.7262 -5.4027 -5.4027 -4.9469 -4.9469 -4.8427 -4.8427 -4.5666 -4.5666 -4.4797 -4.4797 -4.2550 -4.2550 -4.0734 -4.0734 -0.9029 -0.9029 -0.4438 -0.4438 0.0727 0.0727 0.1365 0.1365 0.2114 0.2114 0.2688 0.2688 1.2057 1.2057 1.2413 1.2413 1.2900 1.2900 1.9199 1.9199 1.9650 1.9650 2.4620 2.4620 2.4952 2.4952 2.5475 2.5475 2.5802 2.5802 2.7660 2.7660 3.2387 3.2387 3.2537 3.2537 3.3979 3.3979 3.4315 3.4315 3.6984 3.6984 7.8623 7.8623 8.0739 8.0739 9.1177 9.1177 9.3260 9.3260 9.5842 9.5842 9.9105 9.9105 10.2014 10.2014 11.5994 11.5996 k = 0.0351 0.0608-0.0000 ( 8537 PWs) bands (ev): -20.8402 -20.8402 -20.7084 -20.7084 -14.1837 -14.1837 -14.1398 -14.1398 -12.8032 -12.8032 -12.7913 -12.7913 -12.7743 -12.7743 -12.7652 -12.7652 -12.3474 -12.3474 -5.7279 -5.7279 -5.4003 -5.4003 -4.9503 -4.9503 -4.8427 -4.8427 -4.5672 -4.5672 -4.4809 -4.4809 -4.2673 -4.2673 -4.0844 -4.0844 -0.9027 -0.9027 -0.4442 -0.4442 0.0756 0.0756 0.1381 0.1381 0.2116 0.2116 0.2683 0.2683 1.2070 1.2070 1.2419 1.2419 1.3042 1.3042 1.9183 1.9183 1.9565 1.9565 2.4918 2.4918 2.5124 2.5124 2.5516 2.5516 2.5834 2.5834 2.7416 2.7416 3.2401 3.2401 3.2555 3.2555 3.4094 3.4094 3.4397 3.4397 3.6954 3.6954 7.8619 7.8619 8.0757 8.0757 9.0829 9.0829 9.3039 9.3039 9.6192 9.6192 9.9054 9.9054 10.1542 10.1542 11.6021 11.6023 k = 0.0263 0.0456-0.0000 ( 8535 PWs) bands (ev): -20.8407 -20.8407 -20.7080 -20.7080 -14.1867 -14.1867 -14.1427 -14.1427 -12.7977 -12.7977 -12.7880 -12.7880 -12.7723 -12.7723 -12.7635 -12.7635 -12.3497 -12.3497 -5.7291 -5.7291 -5.3983 -5.3983 -4.9530 -4.9530 -4.8426 -4.8426 -4.5676 -4.5676 -4.4818 -4.4818 -4.2771 -4.2771 -4.0931 -4.0931 -0.9025 -0.9025 -0.4446 -0.4446 0.0776 0.0776 0.1390 0.1390 0.2122 0.2122 0.2684 0.2684 1.2073 1.2073 1.2419 1.2419 1.3169 1.3169 1.9161 1.9161 1.9504 1.9504 2.5144 2.5144 2.5297 2.5297 2.5559 2.5559 2.5866 2.5866 2.7180 2.7180 3.2412 3.2412 3.2568 3.2568 3.4186 3.4186 3.4464 3.4464 3.6928 3.6928 7.8618 7.8618 8.0776 8.0776 9.0543 9.0543 9.2865 9.2865 9.6500 9.6500 9.9054 9.9054 10.1105 10.1105 11.6052 11.6064 k = 0.0175 0.0304-0.0000 ( 8535 PWs) bands (ev): -20.8411 -20.8411 -20.7076 -20.7076 -14.1889 -14.1889 -14.1447 -14.1447 -12.7943 -12.7943 -12.7859 -12.7859 -12.7704 -12.7704 -12.7620 -12.7620 -12.3513 -12.3513 -5.7301 -5.7301 -5.3969 -5.3969 -4.9550 -4.9550 -4.8425 -4.8425 -4.5679 -4.5679 -4.4824 -4.4824 -4.2842 -4.2842 -4.0993 -4.0993 -0.9025 -0.9025 -0.4449 -0.4449 0.0789 0.0789 0.1394 0.1394 0.2129 0.2129 0.2687 0.2687 1.2074 1.2074 1.2418 1.2418 1.3267 1.3267 1.9136 1.9136 1.9464 1.9464 2.5254 2.5254 2.5494 2.5494 2.5603 2.5603 2.5908 2.5908 2.6957 2.6957 3.2420 3.2420 3.2577 3.2577 3.4252 3.4252 3.4512 3.4512 3.6908 3.6908 7.8617 7.8617 8.0792 8.0792 9.0332 9.0332 9.2739 9.2739 9.6742 9.6742 9.9109 9.9109 10.0718 10.0718 11.6078 11.6091 k = 0.0088 0.0152-0.0000 ( 8523 PWs) bands (ev): -20.8413 -20.8413 -20.7075 -20.7075 -14.1902 -14.1902 -14.1460 -14.1460 -12.7925 -12.7925 -12.7847 -12.7847 -12.7690 -12.7690 -12.7609 -12.7609 -12.3523 -12.3523 -5.7306 -5.7306 -5.3961 -5.3961 -4.9562 -4.9562 -4.8424 -4.8424 -4.5681 -4.5681 -4.4828 -4.4828 -4.2885 -4.2885 -4.1031 -4.1031 -0.9025 -0.9025 -0.4451 -0.4451 0.0795 0.0795 0.1396 0.1396 0.2135 0.2135 0.2690 0.2690 1.2073 1.2073 1.2416 1.2416 1.3329 1.3329 1.9117 1.9117 1.9443 1.9443 2.5303 2.5303 2.5616 2.5616 2.5655 2.5655 2.5977 2.5977 2.6771 2.6771 3.2424 3.2424 3.2582 3.2582 3.4292 3.4292 3.4542 3.4542 3.6896 3.6896 7.8618 7.8618 8.0803 8.0803 9.0202 9.0202 9.2663 9.2663 9.6896 9.6896 9.9196 9.9196 10.0424 10.0424 11.6090 11.6344 k = 0.0000 0.0000 0.0000 ( 8513 PWs) bands (ev): -20.8414 -20.8414 -20.7074 -20.7074 -14.1906 -14.1906 -14.1464 -14.1464 -12.7920 -12.7920 -12.7843 -12.7843 -12.7685 -12.7685 -12.7606 -12.7606 -12.3527 -12.3527 -5.7308 -5.7308 -5.3958 -5.3958 -4.9566 -4.9566 -4.8424 -4.8424 -4.5682 -4.5682 -4.4829 -4.4829 -4.2899 -4.2899 -4.1043 -4.1043 -0.9025 -0.9025 -0.4452 -0.4452 0.0798 0.0798 0.1397 0.1397 0.2137 0.2137 0.2691 0.2691 1.2073 1.2073 1.2416 1.2416 1.3350 1.3350 1.9110 1.9110 1.9437 1.9437 2.5317 2.5317 2.5636 2.5636 2.5690 2.5690 2.6025 2.6025 2.6688 2.6688 3.2426 3.2426 3.2584 3.2584 3.4305 3.4305 3.4552 3.4552 3.6892 3.6892 7.8618 7.8618 8.0807 8.0807 9.0158 9.0158 9.2638 9.2638 9.6949 9.6949 9.9245 9.9245 10.0305 10.0305 11.6087 11.6091 k = 0.0000 0.0000 0.0000 ( 8513 PWs) bands (ev): -20.8414 -20.8414 -20.7074 -20.7074 -14.1906 -14.1906 -14.1464 -14.1464 -12.7920 -12.7920 -12.7843 -12.7843 -12.7685 -12.7685 -12.7606 -12.7606 -12.3527 -12.3527 -5.7308 -5.7308 -5.3958 -5.3958 -4.9566 -4.9566 -4.8424 -4.8424 -4.5682 -4.5682 -4.4829 -4.4829 -4.2899 -4.2899 -4.1043 -4.1043 -0.9025 -0.9025 -0.4452 -0.4452 0.0798 0.0798 0.1397 0.1397 0.2137 0.2137 0.2691 0.2691 1.2073 1.2073 1.2416 1.2416 1.3350 1.3350 1.9110 1.9110 1.9437 1.9437 2.5317 2.5317 2.5636 2.5636 2.5690 2.5690 2.6025 2.6025 2.6688 2.6688 3.2426 3.2426 3.2584 3.2584 3.4305 3.4305 3.4552 3.4552 3.6892 3.6892 7.8618 7.8618 8.0807 8.0807 9.0158 9.0158 9.2638 9.2638 9.6949 9.6949 9.9245 9.9245 10.0305 10.0305 11.6087 11.6088 k = 0.0000 0.0000 0.0178 ( 8525 PWs) bands (ev): -20.8414 -20.8414 -20.7074 -20.7074 -14.1909 -14.1909 -14.1461 -14.1461 -12.7920 -12.7920 -12.7843 -12.7843 -12.7685 -12.7685 -12.7606 -12.7606 -12.3527 -12.3527 -5.7308 -5.7308 -5.3958 -5.3958 -4.9566 -4.9566 -4.8424 -4.8424 -4.5682 -4.5682 -4.4829 -4.4829 -4.2897 -4.2897 -4.1044 -4.1044 -0.9026 -0.9026 -0.4457 -0.4457 0.0794 0.0794 0.1401 0.1401 0.2132 0.2132 0.2696 0.2696 1.2078 1.2078 1.2422 1.2422 1.3348 1.3348 1.9100 1.9100 1.9426 1.9426 2.5318 2.5318 2.5636 2.5636 2.5690 2.5690 2.6025 2.6025 2.6707 2.6707 3.2430 3.2430 3.2588 3.2588 3.4305 3.4305 3.4552 3.4552 3.6880 3.6880 7.8609 7.8609 8.0799 8.0799 8.9989 8.9989 9.2792 9.2792 9.6964 9.6964 9.9304 9.9304 10.0323 10.0323 11.6087 11.6102 k = 0.0000 0.0000 0.0356 ( 8537 PWs) bands (ev): -20.8414 -20.8414 -20.7074 -20.7074 -14.1916 -14.1916 -14.1454 -14.1454 -12.7919 -12.7919 -12.7843 -12.7843 -12.7685 -12.7685 -12.7606 -12.7606 -12.3527 -12.3527 -5.7308 -5.7308 -5.3958 -5.3958 -4.9566 -4.9566 -4.8426 -4.8426 -4.5682 -4.5682 -4.4829 -4.4829 -4.2889 -4.2889 -4.1048 -4.1048 -0.9030 -0.9030 -0.4471 -0.4471 0.0785 0.0785 0.1412 0.1412 0.2119 0.2119 0.2711 0.2711 1.2095 1.2095 1.2439 1.2439 1.3344 1.3344 1.9070 1.9070 1.9395 1.9395 2.5319 2.5319 2.5637 2.5637 2.5690 2.5690 2.6025 2.6025 2.6763 2.6763 3.2443 3.2443 3.2602 3.2602 3.4306 3.4306 3.4551 3.4551 3.6844 3.6844 7.8584 7.8584 8.0774 8.0774 8.9576 8.9576 9.3164 9.3164 9.7008 9.7008 9.9480 9.9480 10.0377 10.0377 11.6097 11.6111 k = 0.0000 0.0000 0.0534 ( 8537 PWs) bands (ev): -20.8414 -20.8414 -20.7074 -20.7074 -14.1928 -14.1928 -14.1442 -14.1442 -12.7919 -12.7919 -12.7844 -12.7844 -12.7684 -12.7684 -12.7607 -12.7607 -12.3528 -12.3528 -5.7309 -5.7309 -5.3957 -5.3957 -4.9566 -4.9566 -4.8429 -4.8429 -4.5682 -4.5682 -4.4830 -4.4830 -4.2875 -4.2875 -4.1053 -4.1053 -0.9036 -0.9036 -0.4494 -0.4494 0.0770 0.0770 0.1431 0.1431 0.2100 0.2100 0.2734 0.2734 1.2122 1.2122 1.2468 1.2468 1.3338 1.3338 1.9020 1.9020 1.9342 1.9342 2.5322 2.5322 2.5638 2.5638 2.5689 2.5689 2.6025 2.6025 2.6855 2.6855 3.2465 3.2465 3.2625 3.2625 3.4307 3.4307 3.4550 3.4550 3.6784 3.6784 7.8543 7.8543 8.0733 8.0733 8.9050 8.9050 9.3621 9.3621 9.7081 9.7081 9.9771 9.9771 10.0465 10.0465 11.6052 11.6059 k = 0.0000 0.0000 0.0712 ( 8537 PWs) bands (ev): -20.8414 -20.8414 -20.7074 -20.7074 -14.1943 -14.1943 -14.1426 -14.1426 -12.7918 -12.7918 -12.7844 -12.7844 -12.7684 -12.7684 -12.7607 -12.7607 -12.3528 -12.3528 -5.7309 -5.7309 -5.3957 -5.3957 -4.9566 -4.9566 -4.8432 -4.8432 -4.5682 -4.5682 -4.4830 -4.4830 -4.2857 -4.2857 -4.1061 -4.1061 -0.9044 -0.9044 -0.4525 -0.4525 0.0751 0.0751 0.1455 0.1455 0.2075 0.2075 0.2762 0.2762 1.2159 1.2159 1.2508 1.2508 1.3329 1.3329 1.8951 1.8951 1.9271 1.9271 2.5326 2.5326 2.5641 2.5641 2.5688 2.5688 2.6024 2.6024 2.6982 2.6982 3.2494 3.2494 3.2656 3.2656 3.4309 3.4309 3.4548 3.4548 3.6701 3.6701 7.8488 7.8488 8.0678 8.0678 8.8482 8.8482 9.4091 9.4091 9.7181 9.7181 10.0172 10.0172 10.0585 10.0585 11.5889 11.5889 k = 0.0000 0.0000 0.0890 ( 8519 PWs) bands (ev): -20.8413 -20.8413 -20.7074 -20.7074 -14.1960 -14.1960 -14.1408 -14.1408 -12.7918 -12.7918 -12.7845 -12.7845 -12.7683 -12.7683 -12.7608 -12.7608 -12.3529 -12.3529 -5.7309 -5.7309 -5.3956 -5.3956 -4.9566 -4.9566 -4.8437 -4.8437 -4.5682 -4.5682 -4.4831 -4.4831 -4.2834 -4.2834 -4.1071 -4.1071 -0.9054 -0.9054 -0.4564 -0.4564 0.0729 0.0729 0.1482 0.1482 0.2047 0.2047 0.2795 0.2795 1.2206 1.2206 1.2558 1.2558 1.3319 1.3319 1.8866 1.8866 1.9182 1.9182 2.5331 2.5331 2.5643 2.5643 2.5686 2.5686 2.6023 2.6023 2.7143 2.7143 3.2529 3.2529 3.2694 3.2694 3.4311 3.4311 3.4546 3.4546 3.6595 3.6595 7.8421 7.8421 8.0610 8.0610 8.7906 8.7906 9.4546 9.4546 9.7307 9.7307 10.0675 10.0675 10.0733 10.0733 11.5670 11.5670 k = 0.0000 0.0000 0.1068 ( 8531 PWs) bands (ev): -20.8413 -20.8413 -20.7074 -20.7074 -14.1979 -14.1979 -14.1389 -14.1389 -12.7917 -12.7917 -12.7846 -12.7846 -12.7682 -12.7682 -12.7609 -12.7609 -12.3530 -12.3530 -5.7310 -5.7310 -5.3955 -5.3955 -4.9566 -4.9566 -4.8442 -4.8442 -4.5681 -4.5681 -4.4831 -4.4831 -4.2806 -4.2806 -4.1084 -4.1084 -0.9065 -0.9065 -0.4610 -0.4610 0.0706 0.0706 0.1513 0.1513 0.2017 0.2017 0.2830 0.2830 1.2262 1.2262 1.2619 1.2619 1.3307 1.3307 1.8765 1.8765 1.9077 1.9077 2.5336 2.5336 2.5647 2.5647 2.5684 2.5684 2.6021 2.6021 2.7334 2.7334 3.2570 3.2570 3.2738 3.2738 3.4313 3.4313 3.4544 3.4544 3.6467 3.6467 7.8343 7.8343 8.0532 8.0532 8.7341 8.7341 9.4971 9.4971 9.7455 9.7455 10.0906 10.0906 10.1269 10.1269 11.5421 11.5421 k = 0.0000 0.0000 0.1246 ( 8513 PWs) bands (ev): -20.8413 -20.8413 -20.7074 -20.7074 -14.1999 -14.1999 -14.1368 -14.1368 -12.7916 -12.7916 -12.7847 -12.7847 -12.7681 -12.7681 -12.7610 -12.7610 -12.3531 -12.3531 -5.7310 -5.7310 -5.3954 -5.3954 -4.9566 -4.9566 -4.8448 -4.8448 -4.5681 -4.5681 -4.4832 -4.4832 -4.2775 -4.2775 -4.1098 -4.1098 -0.9077 -0.9077 -0.4660 -0.4660 0.0682 0.0682 0.1545 0.1545 0.1986 0.1986 0.2867 0.2867 1.2325 1.2325 1.2688 1.2688 1.3296 1.3296 1.8652 1.8652 1.8959 1.8959 2.5343 2.5343 2.5651 2.5651 2.5681 2.5681 2.6019 2.6019 2.7554 2.7554 3.2616 3.2616 3.2787 3.2787 3.4316 3.4316 3.4541 3.4541 3.6317 3.6317 7.8258 7.8258 8.0446 8.0446 8.6796 8.6796 9.5366 9.5366 9.7621 9.7621 10.1099 10.1099 10.1936 10.1936 11.5159 11.5159 k = 0.0000 0.0000 0.1424 ( 8513 PWs) bands (ev): -20.8413 -20.8413 -20.7074 -20.7074 -14.2018 -14.2018 -14.1348 -14.1348 -12.7914 -12.7914 -12.7848 -12.7848 -12.7679 -12.7679 -12.7611 -12.7611 -12.3532 -12.3532 -5.7310 -5.7310 -5.3953 -5.3953 -4.9566 -4.9566 -4.8454 -4.8454 -4.5681 -4.5681 -4.4833 -4.4833 -4.2740 -4.2740 -4.1114 -4.1114 -0.9090 -0.9090 -0.4715 -0.4715 0.0658 0.0658 0.1577 0.1577 0.1956 0.1956 0.2903 0.2903 1.2395 1.2395 1.2765 1.2765 1.3286 1.3286 1.8528 1.8528 1.8829 1.8829 2.5350 2.5350 2.5656 2.5656 2.5678 2.5678 2.6016 2.6016 2.7798 2.7798 3.2665 3.2665 3.2838 3.2838 3.4319 3.4319 3.4538 3.4538 3.6149 3.6149 7.8167 7.8167 8.0355 8.0355 8.6280 8.6280 9.5730 9.5730 9.7800 9.7800 10.1305 10.1305 10.2663 10.2663 11.4894 11.4895 k = 0.0000 0.0000 0.1602 ( 8501 PWs) bands (ev): -20.8413 -20.8413 -20.7074 -20.7074 -14.2038 -14.2038 -14.1328 -14.1328 -12.7913 -12.7913 -12.7849 -12.7849 -12.7678 -12.7678 -12.7613 -12.7613 -12.3533 -12.3533 -5.7311 -5.7311 -5.3952 -5.3952 -4.9566 -4.9566 -4.8460 -4.8460 -4.5681 -4.5681 -4.4834 -4.4834 -4.2704 -4.2704 -4.1132 -4.1132 -0.9104 -0.9104 -0.4772 -0.4772 0.0634 0.0634 0.1609 0.1609 0.1927 0.1927 0.2939 0.2939 1.2468 1.2468 1.2849 1.2849 1.3277 1.3277 1.8396 1.8396 1.8691 1.8691 2.5357 2.5357 2.5662 2.5662 2.5674 2.5674 2.6012 2.6012 2.8062 2.8062 3.2715 3.2715 3.2892 3.2892 3.4322 3.4322 3.4535 3.4535 3.5961 3.5961 7.8074 7.8074 8.0261 8.0261 8.5797 8.5797 9.6066 9.6066 9.7988 9.7988 10.1520 10.1520 10.3430 10.3430 11.4632 11.4632 k = 0.0000 0.0000 0.1780 ( 8500 PWs) bands (ev): -20.8413 -20.8413 -20.7074 -20.7074 -14.2056 -14.2056 -14.1308 -14.1308 -12.7912 -12.7912 -12.7851 -12.7851 -12.7677 -12.7677 -12.7614 -12.7614 -12.3534 -12.3534 -5.7311 -5.7311 -5.3951 -5.3951 -4.9566 -4.9566 -4.8466 -4.8466 -4.5681 -4.5681 -4.4835 -4.4835 -4.2665 -4.2665 -4.1151 -4.1151 -0.9117 -0.9117 -0.4830 -0.4830 0.0612 0.0612 0.1640 0.1640 0.1900 0.1900 0.2973 0.2973 1.2544 1.2544 1.2937 1.2937 1.3271 1.3271 1.8259 1.8259 1.8549 1.8549 2.5365 2.5365 2.5668 2.5668 2.5669 2.5669 2.6008 2.6008 2.8344 2.8344 3.2765 3.2765 3.2945 3.2945 3.4326 3.4326 3.4531 3.4531 3.5758 3.5758 7.7981 7.7981 8.0167 8.0167 8.5352 8.5352 9.6376 9.6376 9.8180 9.8180 10.1738 10.1738 10.4223 10.4223 11.4376 11.4376 k = 0.0000 0.0000 0.1958 ( 8500 PWs) bands (ev): -20.8413 -20.8413 -20.7074 -20.7074 -14.2074 -14.2074 -14.1290 -14.1290 -12.7910 -12.7910 -12.7852 -12.7852 -12.7675 -12.7675 -12.7616 -12.7616 -12.3536 -12.3536 -5.7312 -5.7312 -5.3950 -5.3950 -4.9566 -4.9566 -4.8473 -4.8473 -4.5680 -4.5680 -4.4836 -4.4836 -4.2626 -4.2626 -4.1172 -4.1172 -0.9129 -0.9129 -0.4887 -0.4887 0.0591 0.0591 0.1669 0.1669 0.1875 0.1875 0.3005 0.3005 1.2618 1.2618 1.3029 1.3029 1.3270 1.3270 1.8121 1.8121 1.8404 1.8404 2.5374 2.5374 2.5664 2.5664 2.5675 2.5675 2.6003 2.6003 2.8636 2.8636 3.2814 3.2814 3.2998 3.2998 3.4329 3.4329 3.4528 3.4528 3.5542 3.5542 7.7890 7.7890 8.0076 8.0076 8.4947 8.4947 9.6661 9.6661 9.8369 9.8369 10.1953 10.1953 10.5026 10.5026 11.4129 11.4129 k = 0.0000 0.0000 0.2136 ( 8536 PWs) bands (ev): -20.8413 -20.8413 -20.7074 -20.7074 -14.2090 -14.2090 -14.1273 -14.1273 -12.7909 -12.7909 -12.7853 -12.7853 -12.7674 -12.7674 -12.7617 -12.7617 -12.3537 -12.3537 -5.7312 -5.7312 -5.3949 -5.3949 -4.9566 -4.9566 -4.8479 -4.8479 -4.5680 -4.5680 -4.4837 -4.4837 -4.2587 -4.2587 -4.1193 -4.1193 -0.9141 -0.9141 -0.4942 -0.4942 0.0572 0.0572 0.1696 0.1696 0.1852 0.1852 0.3034 0.3034 1.2689 1.2689 1.3121 1.3121 1.3274 1.3274 1.7985 1.7985 1.8262 1.8262 2.5382 2.5382 2.5658 2.5658 2.5682 2.5682 2.5997 2.5997 2.8935 2.8935 3.2861 3.2861 3.3048 3.3048 3.4332 3.4332 3.4524 3.4524 3.5316 3.5316 7.7805 7.7805 7.9990 7.9990 8.4586 8.4586 9.6919 9.6919 9.8550 9.8550 10.2158 10.2158 10.5822 10.5822 11.3890 11.3890 k = 0.0000 0.0000 0.2314 ( 8548 PWs) bands (ev): -20.8413 -20.8413 -20.7074 -20.7074 -14.2104 -14.2104 -14.1258 -14.1258 -12.7908 -12.7908 -12.7855 -12.7855 -12.7672 -12.7672 -12.7618 -12.7618 -12.3538 -12.3538 -5.7313 -5.7313 -5.3948 -5.3948 -4.9566 -4.9566 -4.8485 -4.8485 -4.5680 -4.5680 -4.4838 -4.4838 -4.2549 -4.2549 -4.1213 -4.1213 -0.9152 -0.9152 -0.4993 -0.4993 0.0556 0.0556 0.1720 0.1720 0.1831 0.1831 0.3060 0.3060 1.2752 1.2752 1.3211 1.3211 1.3285 1.3285 1.7855 1.7855 1.8126 1.8126 2.5391 2.5391 2.5652 2.5652 2.5689 2.5689 2.5992 2.5992 2.9233 2.9233 3.2904 3.2904 3.3093 3.3093 3.4336 3.4336 3.4521 3.4521 3.5086 3.5086 7.7726 7.7726 7.9910 7.9910 8.4269 8.4269 9.7150 9.7150 9.8719 9.8719 10.2348 10.2348 10.6597 10.6597 11.3659 11.3659 k = 0.0000 0.0000 0.2492 ( 8560 PWs) bands (ev): -20.8413 -20.8413 -20.7074 -20.7074 -14.2117 -14.2117 -14.1245 -14.1245 -12.7907 -12.7907 -12.7856 -12.7856 -12.7671 -12.7671 -12.7620 -12.7620 -12.3539 -12.3539 -5.7313 -5.7313 -5.3947 -5.3947 -4.9566 -4.9566 -4.8490 -4.8490 -4.5680 -4.5680 -4.4839 -4.4839 -4.2515 -4.2515 -4.1233 -4.1233 -0.9161 -0.9161 -0.5039 -0.5039 0.0541 0.0541 0.1741 0.1741 0.1814 0.1814 0.3083 0.3083 1.2804 1.2804 1.3296 1.3296 1.3302 1.3302 1.7734 1.7734 1.8000 1.8000 2.5399 2.5399 2.5646 2.5646 2.5696 2.5696 2.5986 2.5986 2.9521 2.9521 3.2942 3.2942 3.3134 3.3134 3.4339 3.4339 3.4517 3.4517 3.4859 3.4859 7.7656 7.7656 7.9839 7.9839 8.3999 8.3999 9.7352 9.7352 9.8871 9.8871 10.2519 10.2519 10.7332 10.7332 11.3435 11.3435 k = 0.0000 0.0000 0.2670 ( 8548 PWs) bands (ev): -20.8413 -20.8413 -20.7074 -20.7074 -14.2127 -14.2127 -14.1234 -14.1234 -12.7905 -12.7905 -12.7857 -12.7857 -12.7670 -12.7670 -12.7621 -12.7621 -12.3539 -12.3539 -5.7313 -5.7313 -5.3946 -5.3946 -4.9566 -4.9566 -4.8494 -4.8494 -4.5679 -4.5679 -4.4839 -4.4839 -4.2484 -4.2484 -4.1251 -4.1251 -0.9169 -0.9169 -0.5079 -0.5079 0.0529 0.0529 0.1758 0.1758 0.1799 0.1799 0.3102 0.3102 1.2844 1.2844 1.3326 1.3326 1.3373 1.3373 1.7629 1.7629 1.7889 1.7889 2.5406 2.5406 2.5640 2.5640 2.5703 2.5703 2.5980 2.5980 2.9790 2.9790 3.2974 3.2974 3.3169 3.3169 3.4341 3.4341 3.4511 3.4511 3.4645 3.4645 7.7597 7.7597 7.9779 7.9779 8.3776 8.3776 9.7521 9.7521 9.9000 9.9000 10.2665 10.2665 10.8009 10.8009 11.3218 11.3218 k = 0.0000 0.0000 0.2848 ( 8536 PWs) bands (ev): -20.8413 -20.8413 -20.7074 -20.7074 -14.2135 -14.2135 -14.1225 -14.1225 -12.7904 -12.7904 -12.7858 -12.7858 -12.7669 -12.7669 -12.7622 -12.7622 -12.3540 -12.3540 -5.7314 -5.7314 -5.3946 -5.3946 -4.9566 -4.9566 -4.8497 -4.8497 -4.5679 -4.5679 -4.4840 -4.4840 -4.2458 -4.2458 -4.1267 -4.1267 -0.9175 -0.9175 -0.5111 -0.5111 0.0520 0.0520 0.1772 0.1772 0.1788 0.1788 0.3117 0.3117 1.2873 1.2873 1.3351 1.3351 1.3437 1.3437 1.7541 1.7541 1.7796 1.7796 2.5413 2.5413 2.5636 2.5636 2.5708 2.5708 2.5976 2.5976 3.0026 3.0026 3.2999 3.2999 3.3197 3.3197 3.4343 3.4343 3.4439 3.4439 3.4522 3.4522 7.7550 7.7550 7.9731 7.9731 8.3602 8.3602 9.7655 9.7655 9.9105 9.9105 10.2783 10.2783 10.8603 10.8603 11.3012 11.3012 k = 0.0000 0.0000 0.3026 ( 8548 PWs) bands (ev): -20.8413 -20.8413 -20.7074 -20.7074 -14.2141 -14.2141 -14.1219 -14.1219 -12.7904 -12.7904 -12.7859 -12.7859 -12.7668 -12.7668 -12.7623 -12.7623 -12.3541 -12.3541 -5.7314 -5.7314 -5.3945 -5.3945 -4.9566 -4.9566 -4.8500 -4.8500 -4.5679 -4.5679 -4.4840 -4.4840 -4.2438 -4.2438 -4.1279 -4.1279 -0.9179 -0.9179 -0.5134 -0.5134 0.0513 0.0513 0.1780 0.1780 0.1782 0.1782 0.3128 0.3128 1.2891 1.2891 1.3374 1.3374 1.3486 1.3486 1.7475 1.7475 1.7727 1.7727 2.5418 2.5418 2.5632 2.5632 2.5712 2.5712 2.5972 2.5972 3.0213 3.0213 3.3018 3.3018 3.3217 3.3217 3.4285 3.4285 3.4347 3.4347 3.4515 3.4515 7.7515 7.7515 7.9696 7.9696 8.3477 8.3477 9.7753 9.7753 9.9182 9.9182 10.2869 10.2869 10.9081 10.9081 11.2828 11.2828 k = 0.0000 0.0000 0.3204 ( 8542 PWs) bands (ev): -20.8413 -20.8413 -20.7074 -20.7074 -14.2145 -14.2145 -14.1215 -14.1215 -12.7903 -12.7903 -12.7859 -12.7859 -12.7667 -12.7667 -12.7623 -12.7623 -12.3541 -12.3541 -5.7314 -5.7314 -5.3945 -5.3945 -4.9566 -4.9566 -4.8502 -4.8502 -4.5679 -4.5679 -4.4840 -4.4840 -4.2426 -4.2426 -4.1286 -4.1286 -0.9182 -0.9182 -0.5149 -0.5149 0.0509 0.0509 0.1775 0.1775 0.1788 0.1788 0.3135 0.3135 1.2901 1.2901 1.3390 1.3390 1.3517 1.3517 1.7434 1.7434 1.7684 1.7684 2.5421 2.5421 2.5629 2.5629 2.5715 2.5715 2.5970 2.5970 3.0335 3.0335 3.3029 3.3029 3.3230 3.3230 3.4184 3.4184 3.4347 3.4347 3.4513 3.4513 7.7494 7.7494 7.9675 7.9675 8.3402 8.3402 9.7813 9.7813 9.9229 9.9229 10.2922 10.2922 10.9399 10.9399 11.2694 11.2694 k = 0.0000 0.0000 0.3382 ( 8542 PWs) bands (ev): -20.8413 -20.8413 -20.7074 -20.7074 -14.2146 -14.2146 -14.1214 -14.1214 -12.7903 -12.7903 -12.7859 -12.7859 -12.7667 -12.7667 -12.7623 -12.7623 -12.3541 -12.3541 -5.7314 -5.7314 -5.3945 -5.3945 -4.9566 -4.9566 -4.8502 -4.8502 -4.5679 -4.5679 -4.4840 -4.4840 -4.2422 -4.2422 -4.1289 -4.1289 -0.9183 -0.9183 -0.5154 -0.5154 0.0508 0.0508 0.1773 0.1773 0.1790 0.1790 0.3137 0.3137 1.2904 1.2904 1.3396 1.3396 1.3527 1.3527 1.7420 1.7420 1.7669 1.7669 2.5422 2.5422 2.5628 2.5628 2.5716 2.5716 2.5969 2.5969 3.0378 3.0378 3.3032 3.3032 3.3234 3.3234 3.4148 3.4148 3.4348 3.4348 3.4513 3.4513 7.7487 7.7487 7.9668 7.9668 8.3377 8.3377 9.7833 9.7833 9.9245 9.9245 10.2940 10.2940 10.9513 10.9513 11.2644 11.2644 k = 0.0000 0.0000 0.3382 ( 8542 PWs) bands (ev): -20.8413 -20.8413 -20.7074 -20.7074 -14.2146 -14.2146 -14.1214 -14.1214 -12.7903 -12.7903 -12.7859 -12.7859 -12.7667 -12.7667 -12.7623 -12.7623 -12.3541 -12.3541 -5.7314 -5.7314 -5.3945 -5.3945 -4.9566 -4.9566 -4.8502 -4.8502 -4.5679 -4.5679 -4.4840 -4.4840 -4.2422 -4.2422 -4.1289 -4.1289 -0.9183 -0.9183 -0.5154 -0.5154 0.0508 0.0508 0.1773 0.1773 0.1790 0.1790 0.3137 0.3137 1.2904 1.2904 1.3396 1.3396 1.3527 1.3527 1.7420 1.7420 1.7669 1.7669 2.5422 2.5422 2.5628 2.5628 2.5716 2.5716 2.5969 2.5969 3.0378 3.0378 3.3032 3.3032 3.3234 3.3234 3.4148 3.4148 3.4348 3.4348 3.4513 3.4513 7.7487 7.7487 7.9668 7.9668 8.3377 8.3377 9.7833 9.7833 9.9245 9.9245 10.2940 10.2940 10.9513 10.9513 11.2644 11.2644 k = 0.0152 0.0087 0.3382 ( 8540 PWs) bands (ev): -20.8412 -20.8412 -20.7075 -20.7075 -14.2141 -14.2141 -14.1210 -14.1210 -12.7907 -12.7907 -12.7865 -12.7865 -12.7671 -12.7671 -12.7629 -12.7629 -12.3537 -12.3537 -5.7312 -5.7312 -5.3947 -5.3947 -4.9562 -4.9562 -4.8502 -4.8502 -4.5678 -4.5678 -4.4839 -4.4839 -4.2410 -4.2410 -4.1276 -4.1276 -0.9184 -0.9184 -0.5151 -0.5151 0.0507 0.0507 0.1770 0.1770 0.1790 0.1790 0.3135 0.3135 1.2889 1.2889 1.3386 1.3386 1.3526 1.3526 1.7431 1.7431 1.7680 1.7680 2.5409 2.5409 2.5611 2.5611 2.5707 2.5707 2.5954 2.5954 3.0389 3.0389 3.3030 3.3030 3.3231 3.3231 3.4162 3.4162 3.4338 3.4338 3.4500 3.4500 7.7478 7.7478 7.9647 7.9647 8.3454 8.3454 9.7813 9.7813 9.9258 9.9258 10.2917 10.2917 10.9581 10.9581 11.2628 11.2628 k = 0.0303 0.0175 0.3382 ( 8542 PWs) bands (ev): -20.8410 -20.8410 -20.7077 -20.7077 -14.2128 -14.2128 -14.1198 -14.1198 -12.7919 -12.7919 -12.7882 -12.7882 -12.7681 -12.7681 -12.7644 -12.7644 -12.3527 -12.3527 -5.7306 -5.7306 -5.3956 -5.3956 -4.9550 -4.9550 -4.8501 -4.8501 -4.5675 -4.5675 -4.4833 -4.4833 -4.2373 -4.2373 -4.1236 -4.1236 -0.9188 -0.9188 -0.5145 -0.5145 0.0504 0.0504 0.1762 0.1762 0.1789 0.1789 0.3128 0.3128 1.2840 1.2840 1.3358 1.3358 1.3524 1.3524 1.7461 1.7461 1.7712 1.7712 2.5366 2.5366 2.5558 2.5558 2.5679 2.5679 2.5917 2.5917 3.0424 3.0424 3.3021 3.3021 3.3221 3.3221 3.4203 3.4203 3.4309 3.4309 3.4461 3.4461 7.7450 7.7450 7.9593 7.9593 8.3676 8.3676 9.7751 9.7751 9.9298 9.9298 10.2855 10.2855 10.9780 10.9780 11.2581 11.2581 k = 0.0455 0.0262 0.3382 ( 8546 PWs) bands (ev): -20.8407 -20.8407 -20.7080 -20.7080 -14.2105 -14.2105 -14.1179 -14.1179 -12.7941 -12.7941 -12.7915 -12.7915 -12.7696 -12.7696 -12.7664 -12.7664 -12.3509 -12.3509 -5.7297 -5.7297 -5.3970 -5.3970 -4.9531 -4.9531 -4.8500 -4.8500 -4.5671 -4.5671 -4.4824 -4.4824 -4.2311 -4.2311 -4.1171 -4.1171 -0.9194 -0.9194 -0.5135 -0.5135 0.0498 0.0498 0.1752 0.1752 0.1786 0.1786 0.3120 0.3120 1.2750 1.2750 1.3324 1.3324 1.3524 1.3524 1.7500 1.7500 1.7770 1.7770 2.5283 2.5283 2.5468 2.5468 2.5635 2.5635 2.5870 2.5870 3.0480 3.0480 3.3007 3.3007 3.3204 3.3204 3.4249 3.4249 3.4278 3.4278 3.4399 3.4399 7.7404 7.7404 7.9526 7.9526 8.4020 8.4020 9.7636 9.7636 9.9375 9.9375 10.2773 10.2773 11.0091 11.0091 11.2506 11.2506 k = 0.0606 0.0350 0.3382 ( 8534 PWs) bands (ev): -20.8402 -20.8402 -20.7084 -20.7084 -14.2073 -14.2073 -14.1152 -14.1152 -12.7980 -12.7980 -12.7962 -12.7962 -12.7714 -12.7714 -12.7684 -12.7684 -12.3485 -12.3485 -5.7284 -5.7284 -5.3989 -5.3989 -4.9504 -4.9504 -4.8499 -4.8499 -4.5665 -4.5665 -4.4812 -4.4812 -4.2226 -4.2226 -4.1080 -4.1080 -0.9203 -0.9203 -0.5120 -0.5120 0.0488 0.0488 0.1735 0.1735 0.1781 0.1781 0.3112 0.3112 1.2613 1.2613 1.3293 1.3293 1.3529 1.3529 1.7542 1.7542 1.7855 1.7855 2.5151 2.5151 2.5336 2.5336 2.5581 2.5581 2.5828 2.5828 3.0557 3.0557 3.2987 3.2987 3.3180 3.3180 3.4192 3.4192 3.4289 3.4289 3.4379 3.4379 7.7343 7.7343 7.9467 7.9467 8.4462 8.4462 9.7459 9.7459 9.9494 9.9494 10.2693 10.2693 11.0488 11.0488 11.2409 11.2409 k = 0.0758 0.0437 0.3382 ( 8536 PWs) bands (ev): -20.8395 -20.8395 -20.7090 -20.7090 -14.2033 -14.2033 -14.1118 -14.1118 -12.8050 -12.8050 -12.8015 -12.8015 -12.7733 -12.7733 -12.7700 -12.7700 -12.3457 -12.3457 -5.7268 -5.7268 -5.4012 -5.4012 -4.9471 -4.9471 -4.8496 -4.8496 -4.5658 -4.5658 -4.4796 -4.4796 -4.2116 -4.2116 -4.0965 -4.0965 -0.9215 -0.9215 -0.5103 -0.5103 0.0471 0.0471 0.1707 0.1707 0.1781 0.1781 0.3107 0.3107 1.2433 1.2433 1.3266 1.3266 1.3540 1.3540 1.7582 1.7582 1.7960 1.7960 2.4969 2.4969 2.5163 2.5163 2.5526 2.5526 2.5791 2.5791 3.0652 3.0652 3.2959 3.2959 3.3147 3.3147 3.4114 3.4114 3.4184 3.4184 3.4478 3.4478 7.7270 7.7270 7.9429 7.9429 8.4980 8.4980 9.7214 9.7214 9.9659 9.9659 10.2632 10.2632 11.0940 11.0940 11.2302 11.2302 k = 0.0909 0.0525 0.3382 ( 8536 PWs) bands (ev): -20.8387 -20.8387 -20.7096 -20.7096 -14.1983 -14.1983 -14.1076 -14.1076 -12.8145 -12.8145 -12.8080 -12.8080 -12.7750 -12.7750 -12.7713 -12.7713 -12.3423 -12.3423 -5.7248 -5.7248 -5.4041 -5.4041 -4.9432 -4.9432 -4.8491 -4.8491 -4.5649 -4.5649 -4.4777 -4.4777 -4.1984 -4.1984 -4.0825 -4.0825 -0.9231 -0.9231 -0.5082 -0.5082 0.0446 0.0446 0.1662 0.1662 0.1791 0.1791 0.3111 0.3111 1.2218 1.2218 1.3243 1.3243 1.3557 1.3557 1.7623 1.7623 1.8077 1.8077 2.4743 2.4743 2.4955 2.4955 2.5469 2.5469 2.5757 2.5757 3.0764 3.0764 3.2923 3.2923 3.3103 3.3103 3.4023 3.4023 3.4051 3.4051 3.4597 3.4597 7.7194 7.7194 7.9419 7.9419 8.5558 8.5558 9.6905 9.6905 9.9869 9.9869 10.2606 10.2606 11.1384 11.1384 11.2232 11.2232 k = 0.1061 0.0612 0.3382 ( 8538 PWs) bands (ev): -20.8378 -20.8378 -20.7104 -20.7104 -14.1925 -14.1925 -14.1027 -14.1027 -12.8262 -12.8262 -12.8159 -12.8159 -12.7764 -12.7764 -12.7722 -12.7722 -12.3386 -12.3386 -5.7224 -5.7224 -5.4074 -5.4074 -4.9389 -4.9389 -4.8485 -4.8485 -4.5639 -4.5639 -4.4755 -4.4755 -4.1829 -4.1829 -4.0663 -4.0663 -0.9250 -0.9250 -0.5060 -0.5060 0.0412 0.0412 0.1595 0.1595 0.1814 0.1814 0.3126 0.3126 1.1975 1.1975 1.3220 1.3220 1.3582 1.3582 1.7664 1.7664 1.8196 1.8196 2.4479 2.4479 2.4720 2.4720 2.5411 2.5411 2.5721 2.5721 3.0890 3.0890 3.2879 3.2879 3.3047 3.3047 3.3886 3.3886 3.3939 3.3939 3.4727 3.4727 7.7120 7.7120 7.9438 7.9438 8.6180 8.6180 9.6541 9.6541 10.0119 10.0119 10.2620 10.2620 11.1631 11.1631 11.2376 11.2376 k = 0.1212 0.0700 0.3382 ( 8538 PWs) bands (ev): -20.8368 -20.8368 -20.7113 -20.7113 -14.1858 -14.1858 -14.0971 -14.0971 -12.8396 -12.8396 -12.8252 -12.8252 -12.7777 -12.7777 -12.7730 -12.7730 -12.3346 -12.3346 -5.7198 -5.7198 -5.4111 -5.4111 -4.9342 -4.9342 -4.8475 -4.8475 -4.5628 -4.5628 -4.4730 -4.4730 -4.1652 -4.1652 -4.0480 -4.0480 -0.9274 -0.9274 -0.5035 -0.5035 0.0367 0.0367 0.1506 0.1506 0.1852 0.1852 0.3154 0.3154 1.1713 1.1713 1.3195 1.3195 1.3614 1.3614 1.7707 1.7707 1.8311 1.8311 2.4187 2.4187 2.4463 2.4463 2.5347 2.5347 2.5682 2.5682 3.1029 3.1029 3.2821 3.2821 3.2979 3.2979 3.3711 3.3711 3.3847 3.3847 3.4862 3.4862 7.7057 7.7057 7.9485 7.9485 8.6835 8.6835 9.6133 9.6133 10.0402 10.0402 10.2676 10.2676 11.1585 11.1585 11.2821 11.2821 k = 0.1364 0.0787 0.3382 ( 8550 PWs) bands (ev): -20.8356 -20.8356 -20.7124 -20.7124 -14.1783 -14.1783 -14.0908 -14.0908 -12.8545 -12.8545 -12.8358 -12.8358 -12.7787 -12.7787 -12.7737 -12.7737 -12.3304 -12.3304 -5.7169 -5.7169 -5.4151 -5.4151 -4.9294 -4.9294 -4.8461 -4.8461 -4.5617 -4.5617 -4.4702 -4.4702 -4.1454 -4.1454 -4.0276 -4.0276 -0.9303 -0.9303 -0.5008 -0.5008 0.0312 0.0312 0.1395 0.1395 0.1905 0.1905 0.3199 0.3199 1.1435 1.1435 1.3167 1.3167 1.3653 1.3653 1.7752 1.7752 1.8415 1.8415 2.3874 2.3874 2.4192 2.4192 2.5278 2.5278 2.5639 2.5639 3.1179 3.1179 3.2746 3.2746 3.2899 3.2899 3.3518 3.3518 3.3765 3.3765 3.4998 3.4998 7.7012 7.7012 7.9555 7.9555 8.7512 8.7512 9.5695 9.5695 10.0710 10.0710 10.2776 10.2776 11.1443 11.1443 11.3363 11.3363 k = 0.1515 0.0875 0.3382 ( 8554 PWs) bands (ev): -20.8343 -20.8343 -20.7135 -20.7135 -14.1701 -14.1701 -14.0839 -14.0839 -12.8707 -12.8707 -12.8477 -12.8477 -12.7796 -12.7796 -12.7742 -12.7742 -12.3261 -12.3261 -5.7137 -5.7137 -5.4194 -5.4194 -4.9245 -4.9245 -4.8443 -4.8443 -4.5605 -4.5605 -4.4673 -4.4673 -4.1236 -4.1236 -4.0053 -4.0053 -0.9338 -0.9338 -0.4981 -0.4981 0.0247 0.0247 0.1262 0.1262 0.1973 0.1973 0.3259 0.3259 1.1146 1.1146 1.3137 1.3137 1.3697 1.3697 1.7798 1.7798 1.8502 1.8502 2.3547 2.3547 2.3909 2.3909 2.5202 2.5202 2.5590 2.5590 3.1339 3.1339 3.2642 3.2642 3.2818 3.2818 3.3311 3.3311 3.3695 3.3695 3.5133 3.5133 7.6987 7.6987 7.9645 7.9645 8.8197 8.8197 9.5242 9.5242 10.1034 10.1034 10.2920 10.2920 11.1281 11.1281 11.3919 11.3919 k = 0.1667 0.0962 0.3382 ( 8546 PWs) bands (ev): -20.8328 -20.8328 -20.7147 -20.7147 -14.1610 -14.1610 -14.0763 -14.0763 -12.8882 -12.8882 -12.8606 -12.8606 -12.7805 -12.7805 -12.7748 -12.7748 -12.3217 -12.3217 -5.7102 -5.7102 -5.4240 -5.4240 -4.9197 -4.9197 -4.8418 -4.8418 -4.5592 -4.5592 -4.4642 -4.4642 -4.1001 -4.1001 -3.9813 -3.9813 -0.9380 -0.9380 -0.4952 -0.4952 0.0173 0.0173 0.1112 0.1112 0.2056 0.2056 0.3335 0.3335 1.0849 1.0849 1.3104 1.3104 1.3746 1.3746 1.7846 1.7846 1.8567 1.8567 2.3212 2.3212 2.3623 2.3623 2.5118 2.5118 2.5535 2.5535 3.1507 3.1507 3.2506 3.2506 3.2742 3.2742 3.3094 3.3094 3.3638 3.3638 3.5263 3.5263 7.6988 7.6988 7.9752 7.9752 8.8873 8.8873 9.4792 9.4792 10.1363 10.1363 10.3108 10.3108 11.1122 11.1122 11.4462 11.4462 k = 0.1818 0.1050 0.3382 ( 8554 PWs) bands (ev): -20.8313 -20.8313 -20.7161 -20.7161 -14.1512 -14.1512 -14.0682 -14.0682 -12.9066 -12.9066 -12.8746 -12.8746 -12.7813 -12.7813 -12.7753 -12.7753 -12.3173 -12.3173 -5.7065 -5.7065 -5.4289 -5.4289 -4.9153 -4.9153 -4.8385 -4.8385 -4.5579 -4.5579 -4.4610 -4.4610 -4.0748 -4.0748 -3.9558 -3.9558 -0.9430 -0.9430 -0.4923 -0.4923 0.0088 0.0088 0.0950 0.0950 0.2153 0.2153 0.3424 0.3424 1.0546 1.0546 1.3069 1.3069 1.3797 1.3797 1.7895 1.7895 1.8605 1.8605 2.2874 2.2874 2.3340 2.3340 2.5026 2.5026 2.5473 2.5473 3.1681 3.1681 3.2343 3.2343 3.2667 3.2667 3.2870 3.2870 3.3593 3.3593 3.5386 3.5386 7.7015 7.7015 7.9872 7.9872 8.9516 8.9516 9.4369 9.4369 10.1686 10.1686 10.3345 10.3345 11.0975 11.0975 11.4979 11.4979 k = 0.1970 0.1137 0.3382 ( 8554 PWs) bands (ev): -20.8296 -20.8296 -20.7175 -20.7175 -14.1407 -14.1407 -14.0595 -14.0595 -12.9259 -12.9259 -12.8893 -12.8893 -12.7821 -12.7821 -12.7758 -12.7758 -12.3130 -12.3130 -5.7025 -5.7025 -5.4339 -5.4339 -4.9113 -4.9113 -4.8344 -4.8344 -4.5565 -4.5565 -4.4577 -4.4577 -4.0481 -4.0481 -3.9288 -3.9288 -0.9488 -0.9488 -0.4894 -0.4894 -0.0009 -0.0009 0.0784 0.0784 0.2263 0.2263 0.3525 0.3525 1.0237 1.0237 1.3033 1.3033 1.3850 1.3850 1.7943 1.7943 1.8613 1.8613 2.2535 2.2535 2.3068 2.3068 2.4926 2.4926 2.5404 2.5404 3.1856 3.1856 3.2161 3.2161 3.2575 3.2575 3.2663 3.2663 3.3558 3.3558 3.5501 3.5501 7.7070 7.7070 8.0003 8.0003 9.0084 9.0084 9.4012 9.4012 10.1991 10.1991 10.3631 10.3631 11.0849 11.0849 11.5461 11.5461 k = 0.2121 0.1225 0.3382 ( 8552 PWs) bands (ev): -20.8279 -20.8279 -20.7190 -20.7190 -14.1295 -14.1295 -14.0504 -14.0504 -12.9459 -12.9459 -12.9049 -12.9049 -12.7828 -12.7828 -12.7762 -12.7762 -12.3088 -12.3088 -5.6984 -5.6984 -5.4391 -5.4391 -4.9079 -4.9079 -4.8295 -4.8295 -4.5551 -4.5551 -4.4545 -4.4545 -4.0200 -4.0200 -3.9007 -3.9007 -0.9556 -0.9556 -0.4864 -0.4864 -0.0125 -0.0125 0.0626 0.0626 0.2384 0.2384 0.3636 0.3636 0.9923 0.9923 1.2995 1.2995 1.3904 1.3904 1.7991 1.7991 1.8587 1.8587 2.2194 2.2194 2.2817 2.2817 2.4816 2.4816 2.5327 2.5327 3.1959 3.1959 3.2035 3.2035 3.2379 3.2379 3.2566 3.2566 3.3532 3.3532 3.5606 3.5606 7.7152 7.7152 8.0143 8.0143 9.0506 9.0506 9.3789 9.3789 10.2271 10.2271 10.3969 10.3969 11.0750 11.0750 11.5906 11.5906 k = 0.2273 0.1312 0.3382 ( 8544 PWs) bands (ev): -20.8260 -20.8260 -20.7207 -20.7207 -14.1178 -14.1178 -14.0408 -14.0408 -12.9664 -12.9664 -12.9210 -12.9210 -12.7835 -12.7835 -12.7767 -12.7767 -12.3046 -12.3046 -5.6941 -5.6941 -5.4444 -5.4444 -4.9051 -4.9051 -4.8236 -4.8236 -4.5536 -4.5536 -4.4514 -4.4514 -3.9908 -3.9908 -3.8716 -3.8716 -0.9633 -0.9633 -0.4833 -0.4833 -0.0266 -0.0266 0.0489 0.0489 0.2515 0.2515 0.3756 0.3756 0.9606 0.9606 1.2957 1.2957 1.3958 1.3958 1.8038 1.8038 1.8527 1.8527 2.1852 2.1852 2.2596 2.2596 2.4698 2.4698 2.5244 2.5244 3.1761 3.1761 3.2138 3.2138 3.2187 3.2187 3.2535 3.2535 3.3511 3.3511 3.5701 3.5701 7.7260 7.7260 8.0289 8.0289 9.0695 9.0695 9.3782 9.3782 10.2524 10.2524 10.4354 10.4354 11.0683 11.0683 11.6316 11.6316 k = 0.2424 0.1400 0.3382 ( 8542 PWs) bands (ev): -20.8241 -20.8241 -20.7224 -20.7224 -14.1054 -14.1054 -14.0308 -14.0308 -12.9875 -12.9875 -12.9377 -12.9377 -12.7843 -12.7843 -12.7772 -12.7772 -12.3007 -12.3007 -5.6896 -5.6896 -5.4498 -5.4498 -4.9029 -4.9029 -4.8170 -4.8170 -4.5520 -4.5520 -4.4484 -4.4484 -3.9606 -3.9606 -3.8417 -3.8417 -0.9721 -0.9721 -0.4803 -0.4803 -0.0438 -0.0438 0.0382 0.0382 0.2655 0.2655 0.3882 0.3882 0.9285 0.9285 1.2918 1.2918 1.4010 1.4010 1.8082 1.8082 1.8435 1.8435 2.1509 2.1509 2.2408 2.2408 2.4571 2.4571 2.5152 2.5152 3.1555 3.1555 3.1913 3.1913 3.2242 3.2242 3.2593 3.2593 3.3495 3.3495 3.5785 3.5785 7.7393 7.7393 8.0440 8.0440 9.0621 9.0621 9.4015 9.4015 10.2752 10.2752 10.4780 10.4780 11.0652 11.0652 11.6698 11.6698 k = 0.2576 0.1487 0.3382 ( 8534 PWs) bands (ev): -20.8221 -20.8221 -20.7242 -20.7242 -14.0926 -14.0926 -14.0205 -14.0205 -13.0088 -13.0088 -12.9547 -12.9547 -12.7849 -12.7849 -12.7776 -12.7776 -12.2969 -12.2969 -5.6850 -5.6850 -5.4553 -5.4553 -4.9012 -4.9012 -4.8098 -4.8098 -4.5504 -4.5504 -4.4456 -4.4456 -3.9298 -3.9298 -3.8114 -3.8114 -0.9820 -0.9820 -0.4774 -0.4774 -0.0636 -0.0636 0.0307 0.0307 0.2803 0.2803 0.4013 0.4013 0.8961 0.8961 1.2880 1.2880 1.4059 1.4059 1.8123 1.8123 1.8318 1.8318 2.1166 2.1166 2.2255 2.2255 2.4435 2.4435 2.5054 2.5054 3.1350 3.1350 3.1686 3.1686 3.2218 3.2218 3.2743 3.2743 3.3482 3.3482 3.5857 3.5857 7.7550 7.7550 8.0592 8.0592 9.0357 9.0357 9.4408 9.4408 10.2958 10.2958 10.5242 10.5242 11.0661 11.0661 11.7061 11.7061 k = 0.2727 0.1575 0.3382 ( 8538 PWs) bands (ev): -20.8200 -20.8200 -20.7260 -20.7260 -14.0794 -14.0794 -14.0100 -14.0100 -13.0302 -13.0302 -12.9720 -12.9720 -12.7856 -12.7856 -12.7781 -12.7781 -12.2933 -12.2933 -5.6804 -5.6804 -5.4608 -5.4608 -4.8999 -4.8999 -4.8021 -4.8021 -4.5487 -4.5487 -4.4431 -4.4431 -3.8985 -3.8985 -3.7809 -3.7809 -0.9928 -0.9928 -0.4746 -0.4746 -0.0853 -0.0853 0.0261 0.0261 0.2956 0.2956 0.4147 0.4147 0.8634 0.8634 1.2842 1.2842 1.4105 1.4105 1.8137 1.8137 1.8204 1.8204 2.0825 2.0825 2.2136 2.2136 2.4292 2.4292 2.4949 2.4949 3.1149 3.1149 3.1466 3.1466 3.2161 3.2161 3.2926 3.2926 3.3473 3.3473 3.5917 3.5917 7.7727 7.7727 8.0744 8.0744 8.9989 8.9989 9.4868 9.4868 10.3145 10.3145 10.5735 10.5735 11.0711 11.0711 11.7412 11.7412 k = 0.2879 0.1662 0.3382 ( 8542 PWs) bands (ev): -20.8179 -20.8179 -20.7279 -20.7279 -14.0658 -14.0658 -13.9994 -13.9994 -13.0516 -13.0516 -12.9894 -12.9894 -12.7863 -12.7863 -12.7785 -12.7785 -12.2899 -12.2899 -5.6756 -5.6756 -5.4664 -5.4664 -4.8990 -4.8990 -4.7940 -4.7940 -4.5470 -4.5470 -4.4409 -4.4409 -3.8670 -3.8670 -3.7504 -3.7504 -1.0046 -1.0046 -0.4721 -0.4721 -0.1078 -0.1078 0.0241 0.0241 0.3114 0.3114 0.4282 0.4282 0.8304 0.8304 1.2805 1.2805 1.4146 1.4146 1.8011 1.8011 1.8213 1.8213 2.0487 2.0487 2.2045 2.2045 2.4141 2.4141 2.4839 2.4839 3.0954 3.0954 3.1255 3.1255 3.2096 3.2096 3.3119 3.3119 3.3467 3.3467 3.5965 3.5965 7.7923 7.7923 8.0893 8.0893 8.9574 8.9574 9.5333 9.5333 10.3315 10.3315 10.6255 10.6255 11.0805 11.0805 11.7758 11.7758 k = 0.3030 0.1750 0.3382 ( 8536 PWs) bands (ev): -20.8157 -20.8157 -20.7299 -20.7299 -14.0520 -14.0520 -13.9887 -13.9887 -13.0729 -13.0729 -13.0067 -13.0067 -12.7869 -12.7869 -12.7789 -12.7789 -12.2867 -12.2867 -5.6708 -5.6708 -5.4719 -5.4719 -4.8983 -4.8983 -4.7858 -4.7858 -4.5452 -4.5452 -4.4390 -4.4390 -3.8356 -3.8356 -3.7202 -3.7202 -1.0170 -1.0170 -0.4703 -0.4703 -0.1301 -0.1301 0.0242 0.0242 0.3275 0.3275 0.4415 0.4415 0.7971 0.7971 1.2769 1.2769 1.4182 1.4182 1.7856 1.7856 1.8244 1.8244 2.0156 2.0156 2.1977 2.1977 2.3985 2.3985 2.4724 2.4724 3.0768 3.0768 3.1057 3.1057 3.2029 3.2029 3.3308 3.3308 3.3469 3.3469 3.6002 3.6002 7.8135 7.8135 8.1039 8.1039 8.9141 8.9141 9.5769 9.5769 10.3470 10.3470 10.6797 10.6797 11.0942 11.0942 11.8103 11.8103 k = 0.3182 0.1837 0.3382 ( 8544 PWs) bands (ev): -20.8135 -20.8135 -20.7319 -20.7319 -14.0380 -14.0380 -13.9781 -13.9781 -13.0939 -13.0939 -13.0239 -13.0239 -12.7875 -12.7875 -12.7793 -12.7793 -12.2838 -12.2838 -5.6660 -5.6660 -5.4774 -5.4774 -4.8979 -4.8979 -4.7776 -4.7776 -4.5433 -4.5433 -4.4375 -4.4375 -3.8045 -3.8045 -3.6908 -3.6908 -1.0301 -1.0301 -0.4694 -0.4694 -0.1514 -0.1514 0.0262 0.0262 0.3437 0.3437 0.4544 0.4544 0.7639 0.7639 1.2735 1.2735 1.4213 1.4213 1.7702 1.7702 1.8272 1.8272 1.9833 1.9833 2.1927 2.1927 2.3825 2.3825 2.4606 2.4606 3.0592 3.0592 3.0871 3.0871 3.1963 3.1963 3.3423 3.3423 3.3547 3.3547 3.6027 3.6027 7.8361 7.8361 8.1178 8.1178 8.8705 8.8705 9.6159 9.6159 10.3611 10.3611 10.7355 10.7355 11.1126 11.1126 11.8447 11.8447 k = 0.3333 0.1925 0.3382 ( 8536 PWs) bands (ev): -20.8112 -20.8112 -20.7339 -20.7339 -14.0240 -14.0240 -13.9677 -13.9677 -13.1144 -13.1144 -13.0406 -13.0406 -12.7880 -12.7880 -12.7797 -12.7797 -12.2810 -12.2810 -5.6612 -5.6612 -5.4828 -5.4828 -4.8976 -4.8976 -4.7694 -4.7694 -4.5414 -4.5414 -4.4363 -4.4363 -3.7741 -3.7741 -3.6622 -3.6622 -1.0435 -1.0435 -0.4698 -0.4698 -0.1709 -0.1709 0.0300 0.0300 0.3599 0.3599 0.4666 0.4666 0.7309 0.7309 1.2703 1.2703 1.4239 1.4239 1.7556 1.7556 1.8297 1.8297 1.9523 1.9523 2.1891 2.1891 2.3662 2.3662 2.4487 2.4487 3.0428 3.0428 3.0700 3.0700 3.1899 3.1899 3.3434 3.3434 3.3729 3.3729 3.6040 3.6040 7.8597 7.8597 8.1309 8.1309 8.8277 8.8277 9.6494 9.6494 10.3739 10.3739 10.7916 10.7916 11.1363 11.1363 11.8789 11.8789 k = 0.3485 0.2012 0.3382 ( 8536 PWs) bands (ev): -20.8090 -20.8090 -20.7360 -20.7360 -14.0101 -14.0101 -13.9577 -13.9577 -13.1341 -13.1341 -13.0569 -13.0569 -12.7886 -12.7886 -12.7801 -12.7801 -12.2785 -12.2785 -5.6564 -5.6564 -5.4881 -5.4881 -4.8974 -4.8974 -4.7616 -4.7616 -4.5394 -4.5394 -4.4354 -4.4354 -3.7447 -3.7447 -3.6350 -3.6350 -1.0569 -1.0569 -0.4718 -0.4718 -0.1879 -0.1879 0.0353 0.0353 0.3759 0.3759 0.4777 0.4777 0.6984 0.6984 1.2672 1.2672 1.4259 1.4259 1.7423 1.7423 1.8318 1.8318 1.9227 1.9227 2.1864 2.1864 2.3501 2.3501 2.4368 2.4368 3.0278 3.0278 3.0544 3.0544 3.1838 3.1838 3.3434 3.3434 3.3920 3.3920 3.6042 3.6042 7.8840 7.8840 8.1429 8.1429 8.7864 8.7864 9.6773 9.6773 10.3853 10.3853 10.8461 10.8461 11.1661 11.1661 11.9123 11.9123 k = 0.3636 0.2099 0.3382 ( 8534 PWs) bands (ev): -20.8068 -20.8068 -20.7380 -20.7380 -13.9964 -13.9964 -13.9481 -13.9481 -13.1530 -13.1530 -13.0724 -13.0724 -12.7890 -12.7890 -12.7804 -12.7804 -12.2763 -12.2763 -5.6518 -5.6518 -5.4932 -5.4932 -4.8973 -4.8973 -4.7541 -4.7541 -4.5374 -4.5374 -4.4350 -4.4350 -3.7166 -3.7166 -3.6093 -3.6093 -1.0702 -1.0702 -0.4757 -0.4757 -0.2020 -0.2020 0.0422 0.0422 0.3915 0.3915 0.4871 0.4871 0.6671 0.6671 1.2644 1.2644 1.4275 1.4275 1.7307 1.7307 1.8334 1.8334 1.8947 1.8947 2.1844 2.1844 2.3342 2.3342 2.4252 2.4252 3.0141 3.0141 3.0404 3.0404 3.1781 3.1781 3.3432 3.3432 3.4108 3.4108 3.6033 3.6033 7.9088 7.9088 8.1535 8.1535 8.7471 8.7471 9.6998 9.6998 10.3956 10.3956 10.8966 10.8966 11.2035 11.2035 11.9443 11.9443 k = 0.3788 0.2187 0.3382 ( 8542 PWs) bands (ev): -20.8047 -20.8047 -20.7399 -20.7399 -13.9831 -13.9831 -13.9393 -13.9393 -13.1708 -13.1708 -13.0870 -13.0870 -12.7895 -12.7895 -12.7807 -12.7807 -12.2743 -12.2743 -5.6473 -5.6473 -5.4981 -5.4981 -4.8973 -4.8973 -4.7470 -4.7470 -4.5353 -4.5353 -4.4348 -4.4348 -3.6901 -3.6901 -3.5855 -3.5855 -1.0830 -1.0830 -0.4814 -0.4814 -0.2129 -0.2129 0.0504 0.0504 0.4064 0.4064 0.4940 0.4940 0.6380 0.6380 1.2619 1.2619 1.4287 1.4287 1.7207 1.7207 1.8346 1.8346 1.8686 1.8686 2.1830 2.1830 2.3189 2.3189 2.4141 2.4141 3.0019 3.0019 3.0279 3.0279 3.1728 3.1728 3.3431 3.3431 3.4291 3.4291 3.6013 3.6013 7.9338 7.9338 8.1626 8.1626 8.7102 8.7102 9.7173 9.7173 10.4046 10.4046 10.9407 10.9407 11.2495 11.2495 11.9737 11.9737 k = 0.3939 0.2274 0.3382 ( 8542 PWs) bands (ev): -20.8026 -20.8026 -20.7419 -20.7419 -13.9704 -13.9704 -13.9312 -13.9312 -13.1873 -13.1873 -13.1004 -13.1004 -12.7899 -12.7899 -12.7810 -12.7810 -12.2725 -12.2725 -5.6430 -5.6430 -5.5027 -5.5027 -4.8973 -4.8973 -4.7405 -4.7405 -4.5333 -4.5333 -4.4349 -4.4349 -3.6656 -3.6656 -3.5638 -3.5638 -1.0951 -1.0951 -0.4888 -0.4888 -0.2206 -0.2206 0.0599 0.0599 0.4205 0.4205 0.4969 0.4969 0.6127 0.6127 1.2597 1.2597 1.4296 1.4296 1.7124 1.7124 1.8354 1.8354 1.8447 1.8447 2.1819 2.1819 2.3046 2.3046 2.4037 2.4037 2.9912 2.9912 3.0170 3.0170 3.1680 3.1680 3.3429 3.3429 3.4468 3.4468 3.5983 3.5983 7.9585 7.9585 8.1700 8.1700 8.6762 8.6762 9.7307 9.7307 10.4125 10.4125 10.9771 10.9771 11.3038 11.3038 11.9991 11.9991 k = 0.4091 0.2362 0.3382 ( 8542 PWs) bands (ev): -20.8007 -20.8007 -20.7437 -20.7437 -13.9584 -13.9584 -13.9241 -13.9241 -13.2022 -13.2022 -13.1126 -13.1126 -12.7902 -12.7902 -12.7813 -12.7813 -12.2709 -12.2709 -5.6390 -5.6390 -5.5070 -5.5070 -4.8973 -4.8973 -4.7347 -4.7347 -4.5314 -4.5314 -4.4352 -4.4352 -3.6434 -3.6434 -3.5446 -3.5446 -1.1061 -1.1061 -0.4971 -0.4971 -0.2257 -0.2257 0.0703 0.0703 0.4334 0.4334 0.4940 0.4940 0.5936 0.5936 1.2577 1.2577 1.4303 1.4303 1.7057 1.7057 1.8232 1.8232 1.8360 1.8360 2.1810 2.1810 2.2914 2.2914 2.3942 2.3942 2.9819 2.9819 3.0077 3.0077 3.1638 3.1638 3.3428 3.3428 3.4637 3.4637 3.5942 3.5942 7.9826 7.9826 8.1753 8.1753 8.6454 8.6454 9.7405 9.7405 10.4193 10.4193 11.0059 11.0059 11.3651 11.3651 12.0187 12.0187 k = 0.4242 0.2449 0.3382 ( 8536 PWs) bands (ev): -20.7989 -20.7989 -20.7453 -20.7453 -13.9473 -13.9473 -13.9182 -13.9182 -13.2153 -13.2153 -13.1234 -13.1234 -12.7905 -12.7905 -12.7815 -12.7815 -12.2696 -12.2696 -5.6354 -5.6354 -5.5109 -5.5109 -4.8973 -4.8973 -4.7297 -4.7297 -4.5296 -4.5296 -4.4357 -4.4357 -3.6239 -3.6239 -3.5280 -3.5280 -1.1159 -1.1159 -0.5059 -0.5059 -0.2286 -0.2286 0.0812 0.0812 0.4449 0.4449 0.4842 0.4842 0.5821 0.5821 1.2561 1.2561 1.4310 1.4310 1.7004 1.7004 1.8044 1.8044 1.8362 1.8362 2.1803 2.1803 2.2798 2.2798 2.3859 2.3859 2.9741 2.9741 2.9998 2.9998 3.1602 3.1602 3.3427 3.3427 3.4799 3.4799 3.5890 3.5890 8.0057 8.0057 8.1785 8.1785 8.6184 8.6184 9.7474 9.7474 10.4250 10.4250 11.0280 11.0280 11.4304 11.4304 12.0299 12.0299 k = 0.4394 0.2537 0.3382 ( 8546 PWs) bands (ev): -20.7974 -20.7974 -20.7468 -20.7468 -13.9374 -13.9374 -13.9137 -13.9137 -13.2265 -13.2265 -13.1324 -13.1324 -12.7908 -12.7908 -12.7817 -12.7817 -12.2685 -12.2685 -5.6322 -5.6322 -5.5143 -5.5143 -4.8974 -4.8974 -4.7255 -4.7255 -4.5280 -4.5280 -4.4362 -4.4362 -3.6074 -3.6074 -3.5142 -3.5142 -1.1242 -1.1242 -0.5142 -0.5142 -0.2300 -0.2300 0.0922 0.0922 0.4545 0.4545 0.4698 0.4698 0.5770 0.5770 1.2548 1.2548 1.4316 1.4316 1.6964 1.6964 1.7885 1.7885 1.8362 1.8362 2.1798 2.1798 2.2699 2.2699 2.3788 2.3788 2.9677 2.9677 2.9935 2.9935 3.1572 3.1572 3.3426 3.3426 3.4951 3.4951 3.5829 3.5829 8.0272 8.0272 8.1795 8.1795 8.5956 8.5956 9.7522 9.7522 10.4296 10.4296 11.0445 11.0445 11.4967 11.4967 12.0298 12.0298 k = 0.4545 0.2624 0.3382 ( 8548 PWs) bands (ev): -20.7961 -20.7961 -20.7480 -20.7480 -13.9288 -13.9288 -13.9107 -13.9107 -13.2354 -13.2354 -13.1397 -13.1397 -12.7910 -12.7910 -12.7818 -12.7818 -12.2677 -12.2677 -5.6296 -5.6296 -5.5171 -5.5171 -4.8974 -4.8974 -4.7221 -4.7221 -4.5266 -4.5266 -4.4367 -4.4367 -3.5942 -3.5942 -3.5033 -3.5033 -1.1309 -1.1309 -0.5214 -0.5214 -0.2305 -0.2305 0.1024 0.1024 0.4522 0.4522 0.4642 0.4642 0.5756 0.5756 1.2538 1.2538 1.4321 1.4321 1.6935 1.6935 1.7758 1.7758 1.8361 1.8361 2.1793 2.1793 2.2619 2.2619 2.3731 2.3731 2.9628 2.9628 2.9886 2.9886 3.1548 3.1548 3.3425 3.3425 3.5094 3.5094 3.5757 3.5757 8.0464 8.0464 8.1785 8.1785 8.5774 8.5774 9.7553 9.7553 10.4332 10.4332 11.0565 11.0565 11.5600 11.5600 12.0175 12.0175 k = 0.4697 0.2712 0.3382 ( 8558 PWs) bands (ev): -20.7951 -20.7951 -20.7489 -20.7489 -13.9217 -13.9217 -13.9092 -13.9092 -13.2419 -13.2419 -13.1450 -13.1450 -12.7911 -12.7911 -12.7819 -12.7819 -12.2671 -12.2671 -5.6276 -5.6276 -5.5192 -5.5192 -4.8974 -4.8974 -4.7197 -4.7197 -4.5256 -4.5256 -4.4371 -4.4371 -3.5845 -3.5845 -3.4955 -3.4955 -1.1358 -1.1358 -0.5270 -0.5270 -0.2304 -0.2304 0.1109 0.1109 0.4390 0.4390 0.4696 0.4696 0.5756 0.5756 1.2530 1.2530 1.4325 1.4325 1.6916 1.6916 1.7666 1.7666 1.8360 1.8360 2.1790 2.1790 2.2561 2.2561 2.3690 2.3690 2.9593 2.9593 2.9851 2.9851 3.1531 3.1531 3.3425 3.3425 3.5226 3.5226 3.5676 3.5676 8.0620 8.0620 8.1762 8.1762 8.5641 8.5641 9.7573 9.7573 10.4358 10.4358 11.0647 11.0647 11.6157 11.6157 11.9969 11.9969 k = 0.4848 0.2799 0.3382 ( 8552 PWs) bands (ev): -20.7945 -20.7945 -20.7495 -20.7495 -13.9164 -13.9164 -13.9093 -13.9093 -13.2459 -13.2459 -13.1482 -13.1482 -12.7912 -12.7912 -12.7820 -12.7820 -12.2668 -12.2668 -5.6264 -5.6264 -5.5205 -5.5205 -4.8974 -4.8974 -4.7182 -4.7182 -4.5250 -4.5250 -4.4374 -4.4374 -3.5786 -3.5786 -3.4908 -3.4908 -1.1387 -1.1387 -0.5305 -0.5305 -0.2303 -0.2303 0.1166 0.1166 0.4299 0.4299 0.4732 0.4732 0.5759 0.5759 1.2526 1.2526 1.4327 1.4327 1.6905 1.6905 1.7610 1.7610 1.8359 1.8359 2.1788 2.1788 2.2526 2.2526 2.3665 2.3665 2.9572 2.9572 2.9830 2.9830 3.1521 3.1521 3.3425 3.3425 3.5344 3.5344 3.5589 3.5589 8.0726 8.0726 8.1737 8.1737 8.5560 8.5560 9.7583 9.7583 10.4373 10.4373 11.0694 11.0694 11.6562 11.6562 11.9766 11.9766 k = 0.5000 0.2887 0.3382 ( 8548 PWs) bands (ev): -20.7943 -20.7943 -20.7497 -20.7497 -13.9138 -13.9138 -13.9101 -13.9101 -13.2472 -13.2472 -13.1492 -13.1492 -12.7913 -12.7913 -12.7820 -12.7820 -12.2666 -12.2666 -5.6260 -5.6260 -5.5209 -5.5209 -4.8974 -4.8974 -4.7177 -4.7177 -4.5248 -4.5248 -4.4375 -4.4375 -3.5767 -3.5767 -3.4892 -3.4892 -1.1397 -1.1397 -0.5318 -0.5318 -0.2302 -0.2302 0.1186 0.1186 0.4267 0.4267 0.4744 0.4744 0.5761 0.5761 1.2525 1.2525 1.4328 1.4328 1.6901 1.6901 1.7591 1.7591 1.8359 1.8359 2.1788 2.1788 2.2514 2.2514 2.3656 2.3656 2.9565 2.9565 2.9823 2.9823 3.1517 3.1517 3.3425 3.3425 3.5415 3.5415 3.5528 3.5528 8.0764 8.0764 8.1726 8.1726 8.5533 8.5533 9.7586 9.7586 10.4379 10.4379 11.0709 11.0709 11.6716 11.6716 11.9677 11.9678 k = 0.5000 0.2887 0.3382 ( 8548 PWs) bands (ev): -20.7943 -20.7943 -20.7497 -20.7497 -13.9138 -13.9138 -13.9101 -13.9101 -13.2472 -13.2472 -13.1492 -13.1492 -12.7913 -12.7913 -12.7820 -12.7820 -12.2666 -12.2666 -5.6260 -5.6260 -5.5209 -5.5209 -4.8974 -4.8974 -4.7177 -4.7177 -4.5248 -4.5248 -4.4375 -4.4375 -3.5767 -3.5767 -3.4892 -3.4892 -1.1397 -1.1397 -0.5318 -0.5318 -0.2302 -0.2302 0.1186 0.1186 0.4267 0.4267 0.4744 0.4744 0.5761 0.5761 1.2525 1.2525 1.4328 1.4328 1.6901 1.6901 1.7591 1.7591 1.8359 1.8359 2.1788 2.1788 2.2514 2.2514 2.3656 2.3656 2.9565 2.9565 2.9823 2.9823 3.1517 3.1517 3.3425 3.3425 3.5415 3.5415 3.5528 3.5528 8.0764 8.0764 8.1726 8.1726 8.5533 8.5533 9.7586 9.7586 10.4379 10.4379 11.0709 11.0709 11.6716 11.6716 11.9677 11.9678 k = 0.4912 0.3039 0.3382 ( 8540 PWs) bands (ev): -20.7942 -20.7942 -20.7498 -20.7498 -13.9134 -13.9134 -13.9098 -13.9098 -13.2477 -13.2477 -13.1497 -13.1497 -12.7913 -12.7913 -12.7819 -12.7819 -12.2666 -12.2666 -5.6258 -5.6258 -5.5211 -5.5211 -4.8975 -4.8975 -4.7174 -4.7174 -4.5252 -4.5252 -4.4372 -4.4372 -3.5759 -3.5759 -3.4887 -3.4887 -1.1394 -1.1394 -0.5332 -0.5332 -0.2300 -0.2300 0.1164 0.1164 0.4212 0.4212 0.4794 0.4794 0.5777 0.5777 1.2541 1.2541 1.4331 1.4331 1.6903 1.6903 1.7557 1.7557 1.8389 1.8389 2.1787 2.1787 2.2519 2.2519 2.3660 2.3660 2.9545 2.9545 2.9802 2.9802 3.1523 3.1523 3.3421 3.3421 3.5421 3.5421 3.5530 3.5530 8.0551 8.0551 8.1931 8.1931 8.5554 8.5554 9.7631 9.7631 10.4298 10.4298 11.0744 11.0744 11.6730 11.6730 11.9661 11.9661 k = 0.4825 0.3191 0.3382 ( 8540 PWs) bands (ev): -20.7940 -20.7940 -20.7500 -20.7500 -13.9124 -13.9124 -13.9090 -13.9090 -13.2493 -13.2493 -13.1509 -13.1509 -12.7915 -12.7915 -12.7815 -12.7815 -12.2665 -12.2665 -5.6253 -5.6253 -5.5215 -5.5215 -4.8977 -4.8977 -4.7165 -4.7165 -4.5264 -4.5264 -4.4361 -4.4361 -3.5736 -3.5736 -3.4872 -3.4872 -1.1383 -1.1383 -0.5374 -0.5374 -0.2292 -0.2292 0.1102 0.1102 0.4085 0.4085 0.4903 0.4903 0.5826 0.5826 1.2591 1.2591 1.4340 1.4340 1.6910 1.6910 1.7467 1.7467 1.8466 1.8466 2.1784 2.1784 2.2536 2.2536 2.3670 2.3670 2.9483 2.9483 2.9737 2.9737 3.1538 3.1538 3.3410 3.3410 3.5437 3.5437 3.5536 3.5536 8.0133 8.0133 8.2325 8.2325 8.5618 8.5618 9.7765 9.7765 10.4065 10.4065 11.0839 11.0839 11.6774 11.6774 11.9613 11.9613 k = 0.4737 0.3343 0.3382 ( 8532 PWs) bands (ev): -20.7936 -20.7936 -20.7503 -20.7503 -13.9108 -13.9108 -13.9075 -13.9075 -13.2519 -13.2519 -13.1529 -13.1529 -12.7917 -12.7917 -12.7809 -12.7809 -12.2663 -12.2663 -5.6246 -5.6246 -5.5223 -5.5223 -4.8981 -4.8981 -4.7150 -4.7150 -4.5283 -4.5283 -4.4345 -4.4345 -3.5699 -3.5699 -3.4846 -3.4846 -1.1365 -1.1365 -0.5443 -0.5443 -0.2278 -0.2278 0.1003 0.1003 0.3927 0.3927 0.5028 0.5028 0.5908 0.5908 1.2670 1.2670 1.4354 1.4354 1.6921 1.6921 1.7346 1.7346 1.8565 1.8565 2.1781 2.1781 2.2565 2.2565 2.3686 2.3686 2.9382 2.9382 2.9631 2.9631 3.1563 3.1563 3.3393 3.3393 3.5463 3.5463 3.5547 3.5547 7.9665 7.9665 8.2753 8.2753 8.5723 8.5723 9.7986 9.7986 10.3702 10.3702 11.0972 11.0972 11.6848 11.6848 11.9540 11.9540 k = 0.4649 0.3494 0.3382 ( 8534 PWs) bands (ev): -20.7932 -20.7932 -20.7508 -20.7508 -13.9085 -13.9085 -13.9055 -13.9055 -13.2554 -13.2554 -13.1557 -13.1557 -12.7919 -12.7919 -12.7801 -12.7801 -12.2661 -12.2661 -5.6235 -5.6235 -5.5234 -5.5234 -4.8985 -4.8985 -4.7129 -4.7129 -4.5308 -4.5308 -4.4323 -4.4323 -3.5648 -3.5648 -3.4812 -3.4812 -1.1342 -1.1342 -0.5535 -0.5535 -0.2260 -0.2260 0.0873 0.0873 0.3750 0.3750 0.5152 0.5152 0.6024 0.6024 1.2775 1.2775 1.4375 1.4375 1.6938 1.6938 1.7210 1.7210 1.8668 1.8668 2.1780 2.1780 2.2605 2.2605 2.3709 2.3709 2.9244 2.9244 2.9484 2.9484 3.1596 3.1596 3.3369 3.3369 3.5498 3.5498 3.5563 3.5563 7.9187 7.9187 8.3180 8.3180 8.5867 8.5867 9.8288 9.8288 10.3239 10.3239 11.1114 11.1114 11.6949 11.6949 11.9449 11.9449 k = 0.4561 0.3646 0.3382 ( 8530 PWs) bands (ev): -20.7925 -20.7925 -20.7513 -20.7513 -13.9056 -13.9056 -13.9030 -13.9030 -13.2599 -13.2599 -13.1592 -13.1592 -12.7922 -12.7922 -12.7793 -12.7793 -12.2658 -12.2658 -5.6221 -5.6221 -5.5248 -5.5248 -4.8991 -4.8991 -4.7104 -4.7104 -4.5339 -4.5339 -4.4298 -4.4298 -3.5583 -3.5583 -3.4768 -3.4768 -1.1313 -1.1313 -0.5649 -0.5649 -0.2237 -0.2237 0.0720 0.0720 0.3556 0.3556 0.5274 0.5274 0.6168 0.6168 1.2900 1.2900 1.4402 1.4402 1.6957 1.6957 1.7071 1.7071 1.8763 1.8763 2.1784 2.1784 2.2659 2.2659 2.3738 2.3738 2.9072 2.9072 2.9301 2.9301 3.1635 3.1635 3.3338 3.3338 3.5538 3.5538 3.5584 3.5584 7.8713 7.8713 8.3595 8.3595 8.6047 8.6047 9.8664 9.8664 10.2704 10.2704 11.1240 11.1240 11.7079 11.7079 11.9351 11.9351 k = 0.4474 0.3798 0.3382 ( 8518 PWs) bands (ev): -20.7918 -20.7918 -20.7521 -20.7521 -13.9022 -13.9022 -13.9000 -13.9000 -13.2651 -13.2651 -13.1633 -13.1633 -12.7924 -12.7924 -12.7784 -12.7784 -12.2654 -12.2654 -5.6205 -5.6205 -5.5265 -5.5265 -4.8997 -4.8997 -4.7073 -4.7073 -4.5374 -4.5374 -4.4269 -4.4269 -3.5507 -3.5507 -3.4718 -3.4718 -1.1279 -1.1279 -0.5779 -0.5779 -0.2209 -0.2209 0.0552 0.0552 0.3346 0.3346 0.5395 0.5395 0.6331 0.6331 1.3040 1.3040 1.4436 1.4436 1.6916 1.6916 1.6997 1.6997 1.8843 1.8843 2.1796 2.1796 2.2725 2.2725 2.3773 2.3773 2.8869 2.8869 2.9082 2.9082 3.1680 3.1680 3.3301 3.3301 3.5577 3.5577 3.5616 3.5616 7.8250 7.8250 8.3996 8.3996 8.6259 8.6259 9.9100 9.9100 10.2129 10.2129 11.1330 11.1330 11.7235 11.7235 11.9254 11.9254 k = 0.4386 0.3950 0.3382 ( 8522 PWs) bands (ev): -20.7909 -20.7909 -20.7529 -20.7529 -13.8982 -13.8982 -13.8965 -13.8965 -13.2711 -13.2711 -13.1680 -13.1680 -12.7926 -12.7926 -12.7774 -12.7774 -12.2650 -12.2650 -5.6186 -5.6186 -5.5284 -5.5284 -4.9004 -4.9004 -4.7037 -4.7037 -4.5412 -4.5412 -4.4239 -4.4239 -3.5419 -3.5419 -3.4662 -3.4662 -1.1243 -1.1243 -0.5923 -0.5923 -0.2176 -0.2176 0.0377 0.0377 0.3121 0.3121 0.5518 0.5518 0.6505 0.6505 1.3186 1.3186 1.4478 1.4478 1.6780 1.6780 1.7027 1.7027 1.8903 1.8903 2.1819 2.1819 2.2806 2.2806 2.3815 2.3815 2.8639 2.8639 2.8833 2.8833 3.1730 3.1730 3.3259 3.3259 3.5610 3.5610 3.5660 3.5660 7.7805 7.7805 8.4381 8.4381 8.6500 8.6500 9.9559 9.9559 10.1557 10.1557 11.1370 11.1370 11.7418 11.7418 11.9168 11.9168 k = 0.4298 0.4102 0.3382 ( 8504 PWs) bands (ev): -20.7899 -20.7899 -20.7539 -20.7539 -13.8939 -13.8939 -13.8927 -13.8927 -13.2777 -13.2777 -13.1731 -13.1731 -12.7928 -12.7928 -12.7765 -12.7765 -12.2646 -12.2646 -5.6164 -5.6164 -5.5306 -5.5306 -4.9011 -4.9011 -4.6998 -4.6998 -4.5454 -4.5454 -4.4208 -4.4208 -3.5322 -3.5322 -3.4601 -3.4601 -1.1205 -1.1205 -0.6075 -0.6075 -0.2138 -0.2138 0.0201 0.0201 0.2883 0.2883 0.5644 0.5644 0.6681 0.6681 1.3332 1.3332 1.4529 1.4529 1.6644 1.6644 1.7067 1.7067 1.8940 1.8940 2.1855 2.1855 2.2901 2.2901 2.3863 2.3863 2.8386 2.8386 2.8556 2.8556 3.1784 3.1784 3.3211 3.3211 3.5639 3.5639 3.5713 3.5713 7.7382 7.7382 8.4751 8.4751 8.6763 8.6763 9.9899 9.9899 10.1141 10.1141 11.1352 11.1352 11.7626 11.7626 11.9100 11.9100 k = 0.4211 0.4254 0.3382 ( 8512 PWs) bands (ev): -20.7888 -20.7888 -20.7549 -20.7549 -13.8894 -13.8894 -13.8884 -13.8884 -13.2848 -13.2848 -13.1785 -13.1785 -12.7929 -12.7929 -12.7756 -12.7756 -12.2641 -12.2641 -5.6139 -5.6139 -5.5331 -5.5331 -4.9018 -4.9018 -4.6955 -4.6955 -4.5497 -4.5497 -4.4177 -4.4177 -3.5218 -3.5218 -3.4538 -3.4538 -1.1166 -1.1166 -0.6232 -0.6232 -0.2097 -0.2097 0.0031 0.0031 0.2634 0.2634 0.5773 0.5773 0.6853 0.6853 1.3471 1.3471 1.4592 1.4592 1.6513 1.6513 1.7117 1.7117 1.8951 1.8951 2.1904 2.1904 2.3012 2.3012 2.3919 2.3919 2.8113 2.8113 2.8256 2.8256 3.1842 3.1842 3.3159 3.3159 3.5669 3.5669 3.5767 3.5767 7.6986 7.6986 8.5107 8.5107 8.7045 8.7045 9.9722 9.9722 10.1280 10.1280 11.1273 11.1273 11.7856 11.7856 11.9053 11.9053 k = 0.4123 0.4406 0.3382 ( 8512 PWs) bands (ev): -20.7875 -20.7875 -20.7561 -20.7561 -13.8848 -13.8848 -13.8838 -13.8838 -13.2921 -13.2921 -13.1841 -13.1841 -12.7930 -12.7930 -12.7748 -12.7748 -12.2636 -12.2636 -5.6112 -5.6112 -5.5358 -5.5358 -4.9024 -4.9024 -4.6909 -4.6909 -4.5542 -4.5542 -4.4147 -4.4147 -3.5108 -3.5108 -3.4474 -3.4474 -1.1129 -1.1129 -0.6389 -0.6389 -0.2051 -0.2051 -0.0125 -0.0125 0.2378 0.2378 0.5903 0.5903 0.7018 0.7018 1.3597 1.3597 1.4667 1.4667 1.6389 1.6389 1.7174 1.7174 1.8937 1.8937 2.1965 2.1965 2.3137 2.3137 2.3985 2.3985 2.7825 2.7825 2.7937 2.7937 3.1902 3.1902 3.3103 3.3103 3.5700 3.5700 3.5822 3.5822 7.6619 7.6619 8.5449 8.5449 8.7340 8.7340 9.9174 9.9174 10.1828 10.1828 11.1132 11.1132 11.8108 11.8108 11.9030 11.9030 k = 0.4035 0.4558 0.3382 ( 8506 PWs) bands (ev): -20.7862 -20.7862 -20.7575 -20.7575 -13.8803 -13.8803 -13.8789 -13.8789 -13.2996 -13.2996 -13.1898 -13.1898 -12.7930 -12.7930 -12.7741 -12.7741 -12.2631 -12.2631 -5.6083 -5.6083 -5.5388 -5.5388 -4.9031 -4.9031 -4.6862 -4.6862 -4.5588 -4.5588 -4.4118 -4.4118 -3.4994 -3.4994 -3.4411 -3.4411 -1.1094 -1.1094 -0.6542 -0.6542 -0.2003 -0.2003 -0.0261 -0.0261 0.2116 0.2116 0.6031 0.6031 0.7172 0.7172 1.3704 1.3704 1.4753 1.4753 1.6272 1.6272 1.7241 1.7241 1.8899 1.8899 2.2034 2.2034 2.3279 2.3279 2.4061 2.4061 2.7524 2.7524 2.7604 2.7604 3.1964 3.1964 3.3043 3.3043 3.5732 3.5732 3.5873 3.5873 7.6285 7.6285 8.5777 8.5777 8.7641 8.7641 9.8546 9.8546 10.2494 10.2494 11.0935 11.0935 11.8379 11.8379 11.9032 11.9032 k = 0.3947 0.4710 0.3382 ( 8498 PWs) bands (ev): -20.7847 -20.7847 -20.7589 -20.7589 -13.8757 -13.8757 -13.8739 -13.8739 -13.3071 -13.3071 -13.1955 -13.1955 -12.7930 -12.7930 -12.7734 -12.7734 -12.2627 -12.2627 -5.6053 -5.6053 -5.5419 -5.5419 -4.9036 -4.9036 -4.6813 -4.6813 -4.5633 -4.5633 -4.4091 -4.4091 -3.4880 -3.4880 -3.4352 -3.4352 -1.1063 -1.1063 -0.6688 -0.6688 -0.1954 -0.1954 -0.0372 -0.0372 0.1852 0.1852 0.6154 0.6154 0.7311 0.7311 1.3791 1.3791 1.4851 1.4851 1.6162 1.6162 1.7318 1.7318 1.8840 1.8840 2.2108 2.2108 2.3436 2.3436 2.4150 2.4150 2.7212 2.7212 2.7266 2.7266 3.2028 3.2028 3.2980 3.2980 3.5764 3.5764 3.5920 3.5920 7.5985 7.5985 8.6091 8.6091 8.7942 8.7942 9.7911 9.7911 10.3204 10.3204 11.0687 11.0687 11.8664 11.8664 11.9058 11.9058 k = 0.3860 0.4862 0.3382 ( 8494 PWs) bands (ev): -20.7831 -20.7831 -20.7604 -20.7604 -13.8714 -13.8714 -13.8691 -13.8691 -13.3143 -13.3143 -13.2009 -13.2009 -12.7931 -12.7931 -12.7728 -12.7728 -12.2622 -12.2622 -5.6020 -5.6020 -5.5452 -5.5452 -4.9041 -4.9041 -4.6765 -4.6765 -4.5677 -4.5677 -4.4067 -4.4067 -3.4766 -3.4766 -3.4299 -3.4299 -1.1037 -1.1037 -0.6824 -0.6824 -0.1906 -0.1906 -0.0450 -0.0450 0.1588 0.1588 0.6270 0.6270 0.7436 0.7436 1.3858 1.3858 1.4955 1.4955 1.6060 1.6060 1.7405 1.7405 1.8762 1.8762 2.2182 2.2182 2.3609 2.3609 2.4254 2.4254 2.6884 2.6884 2.6937 2.6937 3.2094 3.2094 3.2914 3.2914 3.5798 3.5798 3.5960 3.5960 7.5723 7.5723 8.6390 8.6390 8.8233 8.8233 9.7298 9.7298 10.3930 10.3930 11.0394 11.0394 11.8955 11.8955 11.9111 11.9111 k = 0.3772 0.5014 0.3382 ( 8490 PWs) bands (ev): -20.7814 -20.7814 -20.7621 -20.7621 -13.8672 -13.8672 -13.8646 -13.8646 -13.3211 -13.3211 -13.2059 -13.2059 -12.7931 -12.7931 -12.7723 -12.7723 -12.2618 -12.2618 -5.5987 -5.5987 -5.5486 -5.5486 -4.9046 -4.9046 -4.6717 -4.6717 -4.5720 -4.5720 -4.4045 -4.4045 -3.4657 -3.4657 -3.4255 -3.4255 -1.1017 -1.1017 -0.6944 -0.6944 -0.1865 -0.1865 -0.0489 -0.0489 0.1327 0.1327 0.6374 0.6374 0.7543 0.7543 1.3907 1.3907 1.5061 1.5061 1.5964 1.5964 1.7501 1.7501 1.8670 1.8670 2.2251 2.2251 2.3797 2.3797 2.4373 2.4373 2.6541 2.6541 2.6625 2.6625 3.2160 3.2160 3.2847 3.2847 3.5831 3.5831 3.5993 3.5993 7.5500 7.5500 8.6671 8.6671 8.8502 8.8502 9.6725 9.6725 10.4655 10.4655 11.0065 11.0065 11.9143 11.9143 11.9292 11.9292 k = 0.3684 0.5166 0.3382 ( 8496 PWs) bands (ev): -20.7796 -20.7796 -20.7638 -20.7638 -13.8633 -13.8633 -13.8607 -13.8607 -13.3271 -13.3271 -13.2104 -13.2104 -12.7931 -12.7931 -12.7719 -12.7719 -12.2614 -12.2614 -5.5953 -5.5953 -5.5520 -5.5520 -4.9049 -4.9049 -4.6673 -4.6673 -4.5759 -4.5759 -4.4028 -4.4028 -3.4554 -3.4554 -3.4221 -3.4221 -1.1002 -1.1002 -0.7048 -0.7048 -0.1832 -0.1832 -0.0483 -0.0483 0.1072 0.1072 0.6463 0.6463 0.7633 0.7633 1.3942 1.3942 1.5166 1.5166 1.5874 1.5874 1.7607 1.7607 1.8566 1.8566 2.2311 2.2311 2.4000 2.4000 2.4509 2.4509 2.6199 2.6199 2.6328 2.6328 3.2227 3.2227 3.2779 3.2779 3.5865 3.5865 3.6017 3.6017 7.5316 7.5316 8.6933 8.6933 8.8734 8.8734 9.6213 9.6213 10.5359 10.5359 10.9707 10.9707 11.9226 11.9226 11.9590 11.9590 k = 0.3596 0.5318 0.3382 ( 8500 PWs) bands (ev): -20.7778 -20.7778 -20.7657 -20.7657 -13.8600 -13.8600 -13.8574 -13.8574 -13.3322 -13.3322 -13.2142 -13.2142 -12.7931 -12.7931 -12.7717 -12.7717 -12.2611 -12.2611 -5.5920 -5.5920 -5.5553 -5.5553 -4.9052 -4.9052 -4.6634 -4.6634 -4.5794 -4.5794 -4.4014 -4.4014 -3.4460 -3.4460 -3.4199 -3.4199 -1.0992 -1.0992 -0.7132 -0.7132 -0.1809 -0.1809 -0.0432 -0.0432 0.0825 0.0825 0.6536 0.6536 0.7704 0.7704 1.3965 1.3965 1.5266 1.5266 1.5789 1.5789 1.7720 1.7720 1.8453 1.8453 2.2359 2.2359 2.4216 2.4216 2.4661 2.4661 2.5866 2.5866 2.6047 2.6047 3.2294 3.2294 3.2711 3.2711 3.5898 3.5898 3.6030 3.6030 7.5174 7.5174 8.7168 8.7168 8.8914 8.8914 9.5784 9.5784 10.6023 10.6023 10.9332 10.9332 11.9309 11.9309 11.9887 11.9887 k = 0.3509 0.5470 0.3382 ( 8508 PWs) bands (ev): -20.7758 -20.7758 -20.7676 -20.7676 -13.8572 -13.8572 -13.8551 -13.8551 -13.3361 -13.3361 -13.2170 -13.2170 -12.7931 -12.7931 -12.7715 -12.7715 -12.2609 -12.2609 -5.5891 -5.5891 -5.5582 -5.5582 -4.9053 -4.9053 -4.6603 -4.6603 -4.5821 -4.5821 -4.4003 -4.4003 -3.4380 -3.4380 -3.4192 -3.4192 -1.0987 -1.0987 -0.7194 -0.7194 -0.1797 -0.1797 -0.0338 -0.0338 0.0594 0.0594 0.6590 0.6590 0.7756 0.7756 1.3979 1.3979 1.5359 1.5359 1.5708 1.5708 1.7838 1.7838 1.8335 1.8335 2.2394 2.2394 2.4442 2.4442 2.4824 2.4824 2.5550 2.5550 2.5789 2.5789 3.2359 3.2359 3.2644 3.2644 3.5932 3.5932 3.6032 3.6032 7.5072 7.5072 8.7368 8.7368 8.9028 8.9028 9.5462 9.5462 10.6618 10.6618 10.8956 10.8956 11.9390 11.9390 12.0163 12.0163 k = 0.3421 0.5622 0.3382 ( 8490 PWs) bands (ev): -20.7738 -20.7738 -20.7696 -20.7696 -13.8552 -13.8552 -13.8539 -13.8539 -13.3386 -13.3386 -13.2188 -13.2188 -12.7931 -12.7931 -12.7713 -12.7713 -12.2608 -12.2608 -5.5869 -5.5869 -5.5604 -5.5604 -4.9055 -4.9055 -4.6583 -4.6583 -4.5838 -4.5838 -4.3997 -4.3997 -3.4318 -3.4318 -3.4199 -3.4199 -1.0986 -1.0986 -0.7232 -0.7232 -0.1791 -0.1791 -0.0219 -0.0219 0.0395 0.0395 0.6623 0.6623 0.7788 0.7788 1.3986 1.3986 1.5442 1.5442 1.5633 1.5633 1.7961 1.7961 1.8212 1.8212 2.2414 2.2414 2.4673 2.4673 2.4985 2.4985 2.5262 2.5262 2.5571 2.5571 3.2419 3.2419 3.2583 3.2583 3.5964 3.5964 3.6021 3.6021 7.5011 7.5011 8.7513 8.7513 8.9076 8.9076 9.5266 9.5266 10.7089 10.7089 10.8625 10.8625 11.9459 11.9459 12.0393 12.0394 k = 0.3333 0.5774 0.3382 ( 8490 PWs) bands (ev): -20.7717 -20.7717 -20.7717 -20.7717 -13.8541 -13.8541 -13.8538 -13.8538 -13.3395 -13.3395 -13.2195 -13.2195 -12.7931 -12.7931 -12.7713 -12.7713 -12.2607 -12.2607 -5.5861 -5.5861 -5.5613 -5.5613 -4.9055 -4.9055 -4.6576 -4.6576 -4.5844 -4.5844 -4.3995 -4.3995 -3.4291 -3.4291 -3.4207 -3.4207 -1.0985 -1.0985 -0.7245 -0.7245 -0.1790 -0.1790 -0.0146 -0.0146 0.0295 0.0295 0.6634 0.6634 0.7799 0.7799 1.3988 1.3988 1.5490 1.5490 1.5587 1.5587 1.8068 1.8068 1.8105 1.8105 2.2421 2.2421 2.4832 2.4832 2.5065 2.5065 2.5090 2.5090 2.5465 2.5465 3.2453 3.2453 3.2548 3.2548 3.5991 3.5991 3.6001 3.6001 7.4991 7.4991 8.7571 8.7571 8.9082 8.9082 9.5201 9.5201 10.7290 10.7290 10.8473 10.8473 11.9490 11.9490 12.0503 12.0513 k = 0.3333 0.5774 0.3382 ( 8490 PWs) bands (ev): -20.7717 -20.7717 -20.7717 -20.7717 -13.8541 -13.8541 -13.8538 -13.8538 -13.3395 -13.3395 -13.2195 -13.2195 -12.7931 -12.7931 -12.7713 -12.7713 -12.2607 -12.2607 -5.5861 -5.5861 -5.5613 -5.5613 -4.9055 -4.9055 -4.6576 -4.6576 -4.5844 -4.5844 -4.3995 -4.3995 -3.4291 -3.4291 -3.4207 -3.4207 -1.0985 -1.0985 -0.7245 -0.7245 -0.1790 -0.1790 -0.0146 -0.0146 0.0295 0.0295 0.6634 0.6634 0.7799 0.7799 1.3988 1.3988 1.5490 1.5490 1.5587 1.5587 1.8068 1.8068 1.8105 1.8105 2.2421 2.2421 2.4832 2.4832 2.5065 2.5065 2.5090 2.5090 2.5465 2.5465 3.2453 3.2453 3.2548 3.2548 3.5991 3.5991 3.6001 3.6001 7.4991 7.4991 8.7571 8.7571 8.9082 8.9082 9.5201 9.5201 10.7290 10.7290 10.8473 10.8473 11.9490 11.9490 12.0519 12.0571 k = 0.3246 0.5622 0.3382 ( 8498 PWs) bands (ev): -20.7738 -20.7738 -20.7695 -20.7695 -13.8554 -13.8554 -13.8537 -13.8537 -13.3385 -13.3385 -13.2188 -13.2188 -12.7931 -12.7931 -12.7713 -12.7713 -12.2608 -12.2608 -5.5870 -5.5870 -5.5604 -5.5604 -4.9055 -4.9055 -4.6583 -4.6583 -4.5838 -4.5838 -4.3997 -4.3997 -3.4320 -3.4320 -3.4198 -3.4198 -1.0985 -1.0985 -0.7232 -0.7232 -0.1791 -0.1791 -0.0229 -0.0229 0.0404 0.0404 0.6623 0.6623 0.7788 0.7788 1.3986 1.3986 1.5443 1.5443 1.5632 1.5632 1.7961 1.7961 1.8212 1.8212 2.2415 2.2415 2.4680 2.4680 2.4994 2.4994 2.5251 2.5251 2.5568 2.5568 3.2420 3.2420 3.2582 3.2582 3.5957 3.5957 3.6027 3.6027 7.5011 7.5011 8.7500 8.7500 8.9094 8.9094 9.5261 9.5261 10.7109 10.7109 10.8602 10.8602 11.9442 11.9442 12.0446 12.0452 k = 0.3158 0.5470 0.3382 ( 8498 PWs) bands (ev): -20.7761 -20.7761 -20.7673 -20.7673 -13.8584 -13.8584 -13.8544 -13.8544 -13.3357 -13.3357 -13.2167 -13.2167 -12.7931 -12.7931 -12.7714 -12.7714 -12.2609 -12.2609 -5.5894 -5.5894 -5.5579 -5.5579 -4.9054 -4.9054 -4.6605 -4.6605 -4.5821 -4.5821 -4.4003 -4.4003 -3.4388 -3.4388 -3.4194 -3.4194 -1.0982 -1.0982 -0.7192 -0.7192 -0.1791 -0.1791 -0.0389 -0.0389 0.0639 0.0639 0.6590 0.6590 0.7752 0.7752 1.3982 1.3982 1.5365 1.5365 1.5703 1.5703 1.7841 1.7841 1.8333 1.8333 2.2397 2.2397 2.4476 2.4476 2.4855 2.4855 2.5512 2.5512 2.5770 2.5770 3.2365 3.2365 3.2638 3.2638 3.5905 3.5905 3.6056 3.6056 7.5069 7.5069 8.7281 8.7281 8.9149 8.9149 9.5426 9.5426 10.6722 10.6722 10.8830 10.8830 11.9280 11.9280 12.0409 12.0410 k = 0.3070 0.5318 0.3382 ( 8498 PWs) bands (ev): -20.7784 -20.7784 -20.7650 -20.7650 -13.8630 -13.8630 -13.8563 -13.8563 -13.3309 -13.3309 -13.2131 -13.2131 -12.7930 -12.7930 -12.7716 -12.7716 -12.2612 -12.2612 -5.5930 -5.5930 -5.5543 -5.5543 -4.9052 -4.9052 -4.6640 -4.6640 -4.5794 -4.5794 -4.4013 -4.4013 -3.4485 -3.4485 -3.4207 -3.4207 -1.0975 -1.0975 -0.7127 -0.7127 -0.1791 -0.1791 -0.0556 -0.0556 0.0929 0.0929 0.6538 0.6538 0.7690 0.7690 1.3978 1.3978 1.5279 1.5279 1.5779 1.5779 1.7724 1.7724 1.8450 1.8450 2.2370 2.2370 2.4297 2.4297 2.4724 2.4724 2.5790 2.5790 2.6003 2.6003 3.2310 3.2310 3.2698 3.2698 3.5838 3.5838 3.6084 3.6084 7.5164 7.5164 8.6933 8.6933 8.9250 8.9250 9.5672 9.5672 10.6261 10.6261 10.9021 10.9021 11.9014 11.9014 12.0440 12.0441 k = 0.2982 0.5166 0.3382 ( 8490 PWs) bands (ev): -20.7807 -20.7807 -20.7627 -20.7627 -13.8690 -13.8690 -13.8593 -13.8593 -13.3240 -13.3240 -13.2080 -13.2080 -12.7930 -12.7930 -12.7718 -12.7718 -12.2617 -12.2617 -5.5972 -5.5972 -5.5500 -5.5500 -4.9050 -4.9050 -4.6685 -4.6685 -4.5760 -4.5760 -4.4026 -4.4026 -3.4606 -3.4606 -3.4244 -3.4244 -1.0962 -1.0962 -0.7036 -0.7036 -0.1790 -0.1790 -0.0712 -0.0712 0.1255 0.1255 0.6467 0.6467 0.7602 0.7602 1.3972 1.3972 1.5189 1.5189 1.5859 1.5859 1.7616 1.7616 1.8563 1.8563 2.2337 2.2337 2.4152 2.4152 2.4614 2.4614 2.6078 2.6078 2.6251 2.6251 3.2258 3.2258 3.2757 3.2757 3.5756 3.5756 3.6111 3.6111 7.5293 7.5293 8.6494 8.6494 8.9379 8.9379 9.5977 9.5977 10.5765 10.5765 10.9140 10.9140 11.8678 11.8678 12.0512 12.0513 k = 0.2895 0.5014 0.3382 ( 8504 PWs) bands (ev): -20.7831 -20.7831 -20.7604 -20.7604 -13.8766 -13.8766 -13.8634 -13.8634 -13.3151 -13.3151 -13.2014 -13.2014 -12.7930 -12.7930 -12.7720 -12.7720 -12.2622 -12.2622 -5.6018 -5.6018 -5.5454 -5.5454 -4.9047 -4.9047 -4.6740 -4.6740 -4.5723 -4.5723 -4.4042 -4.4042 -3.4751 -3.4751 -3.4305 -3.4305 -1.0942 -1.0942 -0.6921 -0.6921 -0.1790 -0.1790 -0.0850 -0.0850 0.1610 0.1610 0.6378 0.6378 0.7487 0.7487 1.3966 1.3966 1.5094 1.5094 1.5946 1.5946 1.7516 1.7516 1.8670 1.8670 2.2299 2.2299 2.4040 2.4040 2.4527 2.4527 2.6372 2.6372 2.6511 2.6511 3.2209 3.2209 3.2814 3.2814 3.5660 3.5660 3.6135 3.6135 7.5455 7.5455 8.5999 8.5999 8.9521 8.9521 9.6323 9.6323 10.5245 10.5245 10.9181 10.9181 11.8295 11.8295 12.0598 12.0601 k = 0.2807 0.4862 0.3382 ( 8502 PWs) bands (ev): -20.7856 -20.7856 -20.7580 -20.7580 -13.8856 -13.8856 -13.8685 -13.8685 -13.3044 -13.3044 -13.1932 -13.1932 -12.7929 -12.7929 -12.7722 -12.7722 -12.2630 -12.2630 -5.6066 -5.6066 -5.5404 -5.5404 -4.9044 -4.9044 -4.6801 -4.6801 -4.5684 -4.5684 -4.4061 -4.4061 -3.4921 -3.4921 -3.4392 -3.4392 -1.0912 -1.0912 -0.6786 -0.6786 -0.1790 -0.1790 -0.0966 -0.0966 0.1987 0.1987 0.6276 0.6276 0.7345 0.7345 1.3958 1.3958 1.4994 1.4994 1.6040 1.6040 1.7429 1.7429 1.8774 1.8774 2.2259 2.2259 2.3963 2.3963 2.4462 2.4462 2.6672 2.6672 2.6779 2.6779 3.2167 3.2167 3.2870 3.2870 3.5550 3.5550 3.6158 3.6158 7.5645 7.5645 8.5468 8.5468 8.9667 8.9667 9.6694 9.6694 10.4706 10.4706 10.9148 10.9148 11.7880 11.7880 12.0682 12.0683 k = 0.2719 0.4710 0.3382 ( 8490 PWs) bands (ev): -20.7880 -20.7880 -20.7557 -20.7557 -13.8958 -13.8958 -13.8748 -13.8748 -13.2919 -13.2919 -13.1836 -13.1836 -12.7928 -12.7928 -12.7725 -12.7725 -12.2639 -12.2639 -5.6116 -5.6116 -5.5353 -5.5353 -4.9041 -4.9041 -4.6869 -4.6869 -4.5646 -4.5646 -4.4082 -4.4082 -3.5113 -3.5113 -3.4505 -3.4505 -1.0873 -1.0873 -0.6631 -0.6631 -0.1793 -0.1793 -0.1057 -0.1057 0.2381 0.2381 0.6161 0.6161 0.7179 0.7179 1.3949 1.3949 1.4892 1.4892 1.6144 1.6144 1.7357 1.7357 1.8874 1.8874 2.2218 2.2218 2.3917 2.3917 2.4418 2.4418 2.6974 2.6974 2.7055 2.7055 3.2129 3.2129 3.2923 3.2923 3.5427 3.5427 3.6177 3.6177 7.5860 7.5860 8.4919 8.4919 8.9811 8.9811 9.7079 9.7079 10.4150 10.4150 10.9051 10.9051 11.7439 11.7439 12.0754 12.0760 k = 0.2632 0.4558 0.3382 ( 8494 PWs) bands (ev): -20.7905 -20.7905 -20.7533 -20.7533 -13.9072 -13.9072 -13.8820 -13.8820 -13.2777 -13.2777 -13.1725 -13.1725 -12.7927 -12.7927 -12.7728 -12.7728 -12.2649 -12.2649 -5.6168 -5.6168 -5.5300 -5.5300 -4.9038 -4.9038 -4.6941 -4.6941 -4.5610 -4.5610 -4.4105 -4.4105 -3.5327 -3.5327 -3.4644 -3.4644 -1.0825 -1.0825 -0.6463 -0.6463 -0.1798 -0.1798 -0.1119 -0.1119 0.2787 0.2787 0.6036 0.6036 0.6990 0.6990 1.3937 1.3937 1.4787 1.4787 1.6260 1.6260 1.7302 1.7302 1.8972 1.8972 2.2178 2.2178 2.3901 2.3901 2.4392 2.4392 2.7277 2.7277 2.7339 2.7339 3.2099 3.2099 3.2973 3.2973 3.5290 3.5290 3.6195 3.6195 7.6098 7.6098 8.4362 8.4362 8.9952 8.9952 9.7468 9.7468 10.3579 10.3579 10.8902 10.8902 11.6979 11.6979 12.0785 12.0788 k = 0.2544 0.4406 0.3382 ( 8508 PWs) bands (ev): -20.7930 -20.7930 -20.7509 -20.7509 -13.9195 -13.9195 -13.8901 -13.8901 -13.2620 -13.2620 -13.1602 -13.1602 -12.7925 -12.7925 -12.7730 -12.7730 -12.2662 -12.2662 -5.6220 -5.6220 -5.5245 -5.5245 -4.9034 -4.9034 -4.7018 -4.7018 -4.5576 -4.5576 -4.4129 -4.4129 -3.5561 -3.5561 -3.4809 -3.4809 -1.0766 -1.0766 -0.6283 -0.6283 -0.1803 -0.1803 -0.1153 -0.1153 0.3197 0.3197 0.5905 0.5905 0.6784 0.6784 1.3922 1.3922 1.4681 1.4681 1.6386 1.6386 1.7266 1.7266 1.9071 1.9071 2.2140 2.2140 2.3911 2.3911 2.4382 2.4382 2.7577 2.7577 2.7634 2.7634 3.2075 3.2075 3.3021 3.3021 3.5142 3.5142 3.6208 3.6208 7.6352 7.6352 8.3806 8.3806 9.0088 9.0088 9.7854 9.7854 10.2993 10.2993 10.8710 10.8710 11.6506 11.6506 12.0723 12.0723 k = 0.2456 0.4254 0.3382 ( 8516 PWs) bands (ev): -20.7956 -20.7956 -20.7485 -20.7485 -13.9327 -13.9327 -13.8990 -13.8990 -13.2449 -13.2449 -13.1466 -13.1466 -12.7923 -12.7923 -12.7733 -12.7733 -12.2676 -12.2676 -5.6273 -5.6273 -5.5190 -5.5190 -4.9030 -4.9030 -4.7098 -4.7098 -4.5547 -4.5547 -4.4153 -4.4153 -3.5814 -3.5814 -3.4997 -3.4997 -1.0699 -1.0699 -0.6099 -0.6099 -0.1803 -0.1803 -0.1161 -0.1161 0.3602 0.3602 0.5773 0.5773 0.6568 0.6568 1.3903 1.3903 1.4575 1.4575 1.6523 1.6523 1.7251 1.7251 1.9174 1.9174 2.2103 2.2103 2.3943 2.3943 2.4386 2.4386 2.7872 2.7872 2.7940 2.7940 3.2058 3.2058 3.3067 3.3067 3.4982 3.4982 3.6218 3.6218 7.6618 7.6618 8.3257 8.3257 9.0221 9.0221 9.8226 9.8226 10.2396 10.2396 10.8486 10.8486 11.6024 11.6024 12.0567 12.0567 k = 0.2368 0.4102 0.3382 ( 8516 PWs) bands (ev): -20.7981 -20.7981 -20.7461 -20.7461 -13.9465 -13.9465 -13.9085 -13.9085 -13.2267 -13.2267 -13.1320 -13.1320 -12.7920 -12.7920 -12.7735 -12.7735 -12.2692 -12.2692 -5.6327 -5.6327 -5.5134 -5.5134 -4.9026 -4.9026 -4.7182 -4.7182 -4.5522 -4.5522 -4.4178 -4.4178 -3.6084 -3.6084 -3.5208 -3.5208 -1.0623 -1.0623 -0.5914 -0.5914 -0.1794 -0.1794 -0.1144 -0.1144 0.3981 0.3981 0.5648 0.5648 0.6352 0.6352 1.3881 1.3881 1.4472 1.4472 1.6669 1.6669 1.7258 1.7258 1.9283 1.9283 2.2069 2.2069 2.3995 2.3995 2.4403 2.4403 2.8166 2.8166 2.8252 2.8252 3.2048 3.2048 3.3110 3.3110 3.4813 3.4813 3.6224 3.6224 7.6891 7.6891 8.2720 8.2720 9.0351 9.0351 9.8573 9.8573 10.1796 10.1796 10.8237 10.8237 11.5540 11.5540 12.0337 12.0337 k = 0.2281 0.3950 0.3382 ( 8512 PWs) bands (ev): -20.8006 -20.8006 -20.7437 -20.7437 -13.9607 -13.9607 -13.9187 -13.9187 -13.2075 -13.2075 -13.1165 -13.1165 -12.7917 -12.7917 -12.7738 -12.7738 -12.2710 -12.2710 -5.6380 -5.6380 -5.5077 -5.5077 -4.9022 -4.9022 -4.7268 -4.7268 -4.5502 -4.5502 -4.4204 -4.4204 -3.6370 -3.6370 -3.5440 -3.5440 -1.0540 -1.0540 -0.5735 -0.5735 -0.1768 -0.1768 -0.1107 -0.1107 0.4299 0.4299 0.5544 0.5544 0.6164 0.6164 1.3854 1.3854 1.4373 1.4373 1.6820 1.6820 1.7288 1.7288 1.9403 1.9403 2.2037 2.2037 2.4062 2.4062 2.4430 2.4430 2.8459 2.8459 2.8567 2.8567 3.2046 3.2046 3.3150 3.3150 3.4634 3.4634 3.6226 3.6226 7.7163 7.7163 8.2200 8.2200 9.0482 9.0482 9.8867 9.8867 10.1215 10.1215 10.7968 10.7968 11.5059 11.5059 12.0044 12.0044 k = 0.2193 0.3798 0.3382 ( 8514 PWs) bands (ev): -20.8031 -20.8031 -20.7414 -20.7414 -13.9753 -13.9753 -13.9293 -13.9293 -13.1874 -13.1874 -13.1002 -13.1002 -12.7914 -12.7914 -12.7739 -12.7739 -12.2730 -12.2730 -5.6434 -5.6434 -5.5020 -5.5020 -4.9018 -4.9018 -4.7357 -4.7357 -4.5487 -4.5487 -4.4229 -4.4229 -3.6668 -3.6668 -3.5691 -3.5691 -1.0451 -1.0451 -0.5568 -0.5568 -0.1721 -0.1721 -0.1053 -0.1053 0.4491 0.4491 0.5457 0.5457 0.6071 0.6071 1.3823 1.3823 1.4279 1.4279 1.6972 1.6972 1.7342 1.7342 1.9537 1.9537 2.2008 2.2008 2.4141 2.4141 2.4467 2.4467 2.8753 2.8753 2.8884 2.8884 3.2052 3.2052 3.3187 3.3187 3.4448 3.4448 3.6221 3.6221 7.7429 7.7429 8.1704 8.1704 9.0615 9.0615 9.9040 9.9040 10.0720 10.0720 10.7684 10.7684 11.4587 11.4587 11.9695 11.9695 k = 0.2105 0.3646 0.3382 ( 8510 PWs) bands (ev): -20.8056 -20.8056 -20.7391 -20.7391 -13.9902 -13.9902 -13.9403 -13.9403 -13.1666 -13.1666 -13.0832 -13.0832 -12.7910 -12.7910 -12.7741 -12.7741 -12.2753 -12.2753 -5.6487 -5.6487 -5.4962 -5.4962 -4.9015 -4.9015 -4.7447 -4.7447 -4.5477 -4.5477 -4.4254 -4.4254 -3.6977 -3.6977 -3.5959 -3.5959 -1.0358 -1.0358 -0.5416 -0.5416 -0.1650 -0.1650 -0.0982 -0.0982 0.4516 0.4516 0.5329 0.5329 0.6176 0.6176 1.3788 1.3788 1.4192 1.4192 1.7121 1.7121 1.7419 1.7419 1.9688 1.9688 2.1983 2.1983 2.4229 2.4229 2.4512 2.4512 2.9047 2.9047 2.9201 2.9201 3.2064 3.2064 3.3222 3.3222 3.4255 3.4255 3.6211 3.6211 7.7678 7.7678 8.1236 8.1236 9.0755 9.0755 9.8933 9.8933 10.0465 10.0465 10.7386 10.7386 11.4130 11.4130 11.9301 11.9301 k = 0.2018 0.3494 0.3382 ( 8526 PWs) bands (ev): -20.8081 -20.8081 -20.7368 -20.7368 -14.0051 -14.0051 -13.9516 -13.9516 -13.1452 -13.1452 -13.0656 -13.0656 -12.7906 -12.7906 -12.7742 -12.7742 -12.2777 -12.2777 -5.6540 -5.6540 -5.4904 -5.4904 -4.9012 -4.9012 -4.7539 -4.7539 -4.5472 -4.5472 -4.4280 -4.4280 -3.7295 -3.7295 -3.6241 -3.6241 -1.0262 -1.0262 -0.5283 -0.5283 -0.1555 -0.1555 -0.0895 -0.0895 0.4415 0.4415 0.5149 0.5149 0.6450 0.6450 1.3750 1.3750 1.4112 1.4112 1.7262 1.7262 1.7519 1.7519 1.9860 1.9860 2.1963 2.1963 2.4323 2.4323 2.4564 2.4564 2.9341 2.9341 2.9518 2.9518 3.2084 3.2084 3.3254 3.3254 3.4057 3.4057 3.6194 3.6194 7.7901 7.7901 8.0805 8.0805 9.0906 9.0906 9.8485 9.8485 10.0512 10.0512 10.7075 10.7075 11.3693 11.3693 11.8876 11.8876 k = 0.1930 0.3343 0.3382 ( 8522 PWs) bands (ev): -20.8105 -20.8105 -20.7346 -20.7346 -14.0201 -14.0201 -13.9630 -13.9630 -13.1233 -13.1233 -13.0477 -13.0477 -12.7901 -12.7901 -12.7743 -12.7743 -12.2803 -12.2803 -5.6593 -5.6593 -5.4846 -5.4846 -4.9010 -4.9010 -4.7632 -4.7632 -4.5471 -4.5471 -4.4305 -4.4305 -3.7620 -3.7620 -3.6534 -3.6534 -1.0166 -1.0166 -0.5171 -0.5171 -0.1436 -0.1436 -0.0792 -0.0792 0.4247 0.4247 0.4951 0.4951 0.6803 0.6803 1.3710 1.3710 1.4039 1.4039 1.7391 1.7391 1.7639 1.7639 2.0057 2.0057 2.1950 2.1950 2.4421 2.4421 2.4622 2.4622 2.9635 2.9635 2.9833 2.9833 3.2110 3.2110 3.3284 3.3284 3.3856 3.3856 3.6169 3.6169 7.8083 7.8083 8.0423 8.0423 9.1071 9.1071 9.7855 9.7855 10.0697 10.0697 10.6750 10.6750 11.3283 11.3283 11.8437 11.8437 k = 0.1842 0.3191 0.3382 ( 8512 PWs) bands (ev): -20.8129 -20.8129 -20.7324 -20.7324 -14.0349 -14.0349 -13.9744 -13.9744 -13.1012 -13.1012 -13.0296 -13.0296 -12.7896 -12.7896 -12.7744 -12.7744 -12.2831 -12.2831 -5.6645 -5.6645 -5.4788 -5.4788 -4.9009 -4.9009 -4.7724 -4.7724 -4.5474 -4.5474 -4.4332 -4.4332 -3.7948 -3.7948 -3.6836 -3.6836 -1.0071 -1.0071 -0.5082 -0.5082 -0.1299 -0.1299 -0.0673 -0.0673 0.4044 0.4044 0.4754 0.4754 0.7185 0.7185 1.3668 1.3668 1.3973 1.3973 1.7506 1.7506 1.7775 1.7775 2.0278 2.0278 2.1946 2.1946 2.4521 2.4521 2.4685 2.4685 2.9927 2.9927 3.0146 3.0146 3.2142 3.2142 3.3311 3.3311 3.3654 3.3654 3.6137 3.6137 7.8204 7.8204 8.0107 8.0107 9.1255 9.1255 9.7150 9.7150 10.0914 10.0914 10.6412 10.6412 11.2903 11.2903 11.7996 11.7996 k = 0.1754 0.3039 0.3382 ( 8532 PWs) bands (ev): -20.8152 -20.8152 -20.7303 -20.7303 -14.0495 -14.0495 -13.9858 -13.9858 -13.0789 -13.0789 -13.0113 -13.0113 -12.7890 -12.7890 -12.7744 -12.7744 -12.2862 -12.2862 -5.6697 -5.6697 -5.4730 -5.4730 -4.9009 -4.9009 -4.7816 -4.7816 -4.5480 -4.5480 -4.4359 -4.4359 -3.8279 -3.8279 -3.7145 -3.7145 -0.9977 -0.9977 -0.5013 -0.5013 -0.1149 -0.1149 -0.0537 -0.0537 0.3824 0.3824 0.4566 0.4566 0.7576 0.7576 1.3626 1.3626 1.3915 1.3915 1.7602 1.7602 1.7924 1.7924 2.0526 2.0526 2.1956 2.1956 2.4619 2.4619 2.4753 2.4753 3.0216 3.0216 3.0455 3.0455 3.2178 3.2178 3.3328 3.3328 3.3459 3.3459 3.6096 3.6096 7.8240 7.8240 7.9877 7.9877 9.1461 9.1461 9.6409 9.6409 10.1127 10.1127 10.6060 10.6060 11.2558 11.2558 11.7565 11.7565 k = 0.1667 0.2887 0.3382 ( 8526 PWs) bands (ev): -20.8175 -20.8175 -20.7282 -20.7282 -14.0639 -14.0639 -13.9972 -13.9972 -13.0565 -13.0565 -12.9930 -12.9930 -12.7884 -12.7884 -12.7744 -12.7744 -12.2895 -12.2895 -5.6747 -5.6747 -5.4672 -5.4672 -4.9012 -4.9012 -4.7906 -4.7906 -4.5489 -4.5489 -4.4387 -4.4387 -3.8609 -3.8609 -3.7458 -3.7458 -0.9887 -0.9887 -0.4963 -0.4963 -0.0991 -0.0991 -0.0383 -0.0383 0.3597 0.3597 0.4387 0.4387 0.7964 0.7964 1.3584 1.3584 1.3863 1.3863 1.7680 1.7680 1.8078 1.8078 2.0797 2.0797 2.1983 2.1983 2.4715 2.4715 2.4825 2.4825 3.0502 3.0502 3.0761 3.0761 3.2218 3.2218 3.3229 3.3229 3.3382 3.3382 3.6045 3.6045 7.8181 7.8181 7.9746 7.9746 9.1687 9.1687 9.5649 9.5649 10.1318 10.1318 10.5694 10.5694 11.2254 11.2254 11.7152 11.7152 k = 0.1579 0.2735 0.3382 ( 8512 PWs) bands (ev): -20.8197 -20.8197 -20.7263 -20.7263 -14.0778 -14.0778 -14.0083 -14.0083 -13.0341 -13.0341 -12.9748 -12.9748 -12.7877 -12.7877 -12.7744 -12.7744 -12.2929 -12.2929 -5.6797 -5.6797 -5.4615 -5.4615 -4.9018 -4.9018 -4.7993 -4.7993 -4.5499 -4.5499 -4.4416 -4.4416 -3.8937 -3.8937 -3.7772 -3.7772 -0.9802 -0.9802 -0.4929 -0.4929 -0.0833 -0.0833 -0.0212 -0.0212 0.3371 0.3371 0.4218 0.4218 0.8347 0.8347 1.3543 1.3543 1.3816 1.3816 1.7740 1.7740 1.8231 1.8231 2.1088 2.1088 2.2035 2.2035 2.4805 2.4805 2.4902 2.4902 3.0784 3.0784 3.1060 3.1060 3.2258 3.2258 3.3042 3.3042 3.3400 3.3400 3.5985 3.5985 7.8043 7.8043 7.9693 7.9693 9.1931 9.1931 9.4886 9.4886 10.1478 10.1478 10.5317 10.5317 11.1993 11.1993 11.6762 11.6762 k = 0.1491 0.2583 0.3382 ( 8528 PWs) bands (ev): -20.8219 -20.8219 -20.7244 -20.7244 -14.0914 -14.0914 -14.0192 -14.0192 -13.0119 -13.0119 -12.9569 -12.9569 -12.7870 -12.7870 -12.7743 -12.7743 -12.2966 -12.2966 -5.6845 -5.6845 -5.4558 -5.4558 -4.9027 -4.9027 -4.8076 -4.8076 -4.5511 -4.5511 -4.4446 -4.4446 -3.9260 -3.9260 -3.8085 -3.8085 -0.9722 -0.9722 -0.4909 -0.4909 -0.0677 -0.0677 -0.0028 -0.0028 0.3150 0.3150 0.4058 0.4058 0.8722 0.8722 1.3503 1.3503 1.3775 1.3775 1.7782 1.7782 1.8372 1.8372 2.1398 2.1398 2.2117 2.2117 2.4889 2.4889 2.4984 2.4984 3.1060 3.1060 3.1350 3.1350 3.2291 3.2291 3.2864 3.2864 3.3423 3.3423 3.5914 3.5914 7.7865 7.7865 7.9684 7.9684 9.2168 9.2168 9.4150 9.4150 10.1600 10.1600 10.4932 10.4932 11.1778 11.1778 11.6394 11.6394 k = 0.1404 0.2431 0.3382 ( 8532 PWs) bands (ev): -20.8239 -20.8239 -20.7225 -20.7225 -14.1045 -14.1045 -14.0298 -14.0298 -12.9901 -12.9901 -12.9393 -12.9393 -12.7862 -12.7862 -12.7742 -12.7742 -12.3004 -12.3004 -5.6892 -5.6892 -5.4502 -5.4502 -4.9041 -4.9041 -4.8153 -4.8153 -4.5524 -4.5524 -4.4477 -4.4477 -3.9576 -3.9576 -3.8394 -3.8394 -0.9647 -0.9647 -0.4900 -0.4900 -0.0528 -0.0528 0.0167 0.0167 0.2940 0.2940 0.3908 0.3908 0.9087 0.9087 1.3466 1.3466 1.3737 1.3737 1.7810 1.7810 1.8492 1.8492 2.1719 2.1719 2.2236 2.2236 2.4965 2.4965 2.5068 2.5068 3.1327 3.1327 3.1623 3.1623 3.2304 3.2304 3.2722 3.2722 3.3447 3.3447 3.5833 3.5833 7.7678 7.7678 7.9689 7.9689 9.2295 9.2295 9.3551 9.3551 10.1679 10.1679 10.4545 10.4545 11.1612 11.1612 11.6043 11.6043 k = 0.1316 0.2279 0.3382 ( 8532 PWs) bands (ev): -20.8259 -20.8259 -20.7208 -20.7208 -14.1170 -14.1170 -14.0400 -14.0400 -12.9686 -12.9686 -12.9222 -12.9222 -12.7855 -12.7855 -12.7741 -12.7741 -12.3044 -12.3044 -5.6938 -5.6938 -5.4447 -5.4447 -4.9060 -4.9060 -4.8223 -4.8223 -4.5537 -4.5537 -4.4509 -4.4509 -3.9884 -3.9884 -3.8696 -3.8696 -0.9579 -0.9579 -0.4901 -0.4901 -0.0384 -0.0384 0.0366 0.0366 0.2743 0.2743 0.3769 0.3769 0.9444 0.9444 1.3432 1.3432 1.3704 1.3704 1.7824 1.7824 1.8584 1.8584 2.2049 2.2049 2.2396 2.2396 2.5037 2.5037 2.5152 2.5152 3.1585 3.1585 3.1852 3.1852 3.2288 3.2288 3.2652 3.2652 3.3474 3.3474 3.5742 3.5742 7.7502 7.7502 7.9689 7.9689 9.2006 9.2006 9.3395 9.3395 10.1708 10.1708 10.4167 10.4167 11.1495 11.1495 11.5700 11.5700 k = 0.1228 0.2127 0.3382 ( 8538 PWs) bands (ev): -20.8278 -20.8278 -20.7191 -20.7191 -14.1289 -14.1289 -14.0498 -14.0498 -12.9476 -12.9476 -12.9057 -12.9057 -12.7846 -12.7846 -12.7739 -12.7739 -12.3085 -12.3085 -5.6981 -5.6981 -5.4394 -5.4394 -4.9085 -4.9085 -4.8285 -4.8285 -4.5551 -4.5551 -4.4542 -4.4542 -4.0181 -4.0181 -3.8991 -3.8991 -0.9518 -0.9518 -0.4909 -0.4909 -0.0248 -0.0248 0.0565 0.0565 0.2562 0.2562 0.3641 0.3641 0.9791 0.9791 1.3400 1.3400 1.3674 1.3674 1.7826 1.7826 1.8641 1.8641 2.2380 2.2380 2.2600 2.2600 2.5105 2.5105 2.5234 2.5234 3.1830 3.1830 3.1927 3.1927 3.2346 3.2346 3.2660 3.2660 3.3503 3.3503 3.5640 3.5640 7.7348 7.7348 7.9679 7.9679 9.1354 9.1354 9.3632 9.3632 10.1680 10.1680 10.3809 10.3809 11.1427 11.1427 11.5353 11.5353 k = 0.1140 0.1975 0.3382 ( 8550 PWs) bands (ev): -20.8295 -20.8295 -20.7176 -20.7176 -14.1402 -14.1402 -14.0591 -14.0591 -12.9273 -12.9273 -12.8899 -12.8899 -12.7838 -12.7838 -12.7737 -12.7737 -12.3128 -12.3128 -5.7023 -5.7023 -5.4341 -5.4341 -4.9117 -4.9117 -4.8338 -4.8338 -4.5564 -4.5564 -4.4575 -4.4575 -4.0466 -4.0466 -3.9275 -3.9275 -0.9462 -0.9462 -0.4923 -0.4923 -0.0120 -0.0120 0.0758 0.0758 0.2397 0.2397 0.3524 0.3524 1.0130 1.0130 1.3372 1.3372 1.3647 1.3647 1.7819 1.7819 1.8662 1.8662 2.2704 2.2704 2.2850 2.2850 2.5168 2.5168 2.5313 2.5313 3.1823 3.1823 3.2062 3.2062 3.2520 3.2520 3.2726 3.2726 3.3536 3.3536 3.5529 3.5529 7.7224 7.7224 7.9655 7.9655 9.0606 9.0606 9.3995 9.3995 10.1589 10.1589 10.3488 10.3488 11.1405 11.1405 11.4985 11.4985 k = 0.1053 0.1823 0.3382 ( 8550 PWs) bands (ev): -20.8312 -20.8312 -20.7161 -20.7161 -14.1508 -14.1508 -14.0678 -14.0678 -12.9078 -12.9078 -12.8749 -12.8749 -12.7829 -12.7829 -12.7735 -12.7735 -12.3172 -12.3172 -5.7063 -5.7063 -5.4290 -5.4290 -4.9155 -4.9155 -4.8381 -4.8381 -4.5578 -4.5578 -4.4608 -4.4608 -4.0736 -4.0736 -3.9547 -3.9547 -0.9413 -0.9413 -0.4941 -0.4941 -0.0002 -0.0002 0.0941 0.0941 0.2252 0.2252 0.3420 0.3420 1.0461 1.0461 1.3347 1.3347 1.3624 1.3624 1.7803 1.7803 1.8648 1.8648 2.3016 2.3016 2.3140 2.3140 2.5229 2.5229 2.5387 2.5387 3.1668 3.1668 3.2273 3.2273 3.2661 3.2661 3.2873 3.2873 3.3576 3.3576 3.5409 3.5409 7.7131 7.7131 7.9619 7.9619 8.9839 8.9839 9.4406 9.4406 10.1431 10.1431 10.3215 10.3215 11.1426 11.1426 11.4584 11.4584 k = 0.0965 0.1671 0.3382 ( 8550 PWs) bands (ev): -20.8328 -20.8328 -20.7148 -20.7148 -14.1607 -14.1607 -14.0760 -14.0760 -12.8892 -12.8892 -12.8608 -12.8608 -12.7819 -12.7819 -12.7733 -12.7733 -12.3215 -12.3215 -5.7100 -5.7100 -5.4242 -5.4242 -4.9198 -4.9198 -4.8415 -4.8415 -4.5591 -4.5591 -4.4641 -4.4641 -4.0991 -4.0991 -3.9805 -3.9805 -0.9370 -0.9370 -0.4963 -0.4963 0.0106 0.0106 0.1110 0.1110 0.2125 0.2125 0.3330 0.3330 1.0783 1.0783 1.3325 1.3325 1.3603 1.3603 1.7781 1.7781 1.8603 1.8603 2.3324 2.3324 2.3451 2.3451 2.5285 2.5285 2.5457 2.5457 3.1503 3.1503 3.2459 3.2459 3.2747 3.2747 3.3082 3.3082 3.3624 3.3624 3.5281 3.5281 7.7071 7.7071 7.9575 7.9575 8.9073 8.9073 9.4839 9.4839 10.1214 10.1214 10.2999 10.2999 11.1485 11.1485 11.4142 11.4142 k = 0.0877 0.1519 0.3382 ( 8550 PWs) bands (ev): -20.8342 -20.8342 -20.7135 -20.7135 -14.1698 -14.1698 -14.0837 -14.0837 -12.8716 -12.8716 -12.8477 -12.8477 -12.7809 -12.7809 -12.7730 -12.7730 -12.3259 -12.3259 -5.7135 -5.7135 -5.4195 -5.4195 -4.9245 -4.9245 -4.8441 -4.8441 -4.5604 -4.5604 -4.4672 -4.4672 -4.1229 -4.1229 -4.0046 -4.0046 -0.9333 -0.9333 -0.4986 -0.4986 0.0202 0.0202 0.1261 0.1261 0.2020 0.2020 0.3255 0.3255 1.1095 1.1095 1.3306 1.3306 1.3584 1.3584 1.7753 1.7753 1.8530 1.8530 2.3635 2.3635 2.3764 2.3764 2.5339 2.5339 2.5522 2.5522 3.1339 3.1339 3.2614 3.2614 3.2821 3.2821 3.3300 3.3300 3.3684 3.3684 3.5147 3.5147 7.7044 7.7044 7.9527 7.9527 8.8321 8.8321 9.5283 9.5283 10.0952 10.0952 10.2835 10.2835 11.1575 11.1575 11.3660 11.3660 k = 0.0789 0.1367 0.3382 ( 8542 PWs) bands (ev): -20.8355 -20.8355 -20.7124 -20.7124 -14.1781 -14.1781 -14.0906 -14.0906 -12.8552 -12.8552 -12.8358 -12.8358 -12.7798 -12.7798 -12.7726 -12.7726 -12.3303 -12.3303 -5.7168 -5.7168 -5.4152 -5.4152 -4.9293 -4.9293 -4.8460 -4.8460 -4.5616 -4.5616 -4.4702 -4.4702 -4.1448 -4.1448 -4.0270 -4.0270 -0.9300 -0.9300 -0.5011 -0.5011 0.0283 0.0283 0.1393 0.1393 0.1935 0.1935 0.3196 0.3196 1.1397 1.1397 1.3291 1.3291 1.3569 1.3569 1.7722 1.7722 1.8437 1.8437 2.3945 2.3945 2.4068 2.4068 2.5388 2.5388 2.5581 2.5581 3.1181 3.1181 3.2732 3.2732 3.2898 3.2898 3.3510 3.3510 3.3756 3.3756 3.5009 3.5009 7.7048 7.7048 7.9481 7.9481 8.7588 8.7588 9.5723 9.5723 10.0668 10.0668 10.2717 10.2717 11.1687 11.1687 11.3147 11.3147 k = 0.0702 0.1215 0.3382 ( 8548 PWs) bands (ev): -20.8367 -20.8367 -20.7114 -20.7114 -14.1857 -14.1857 -14.0970 -14.0970 -12.8402 -12.8402 -12.8251 -12.8251 -12.7786 -12.7786 -12.7722 -12.7722 -12.3345 -12.3345 -5.7197 -5.7197 -5.4111 -5.4111 -4.9342 -4.9342 -4.8474 -4.8474 -4.5628 -4.5628 -4.4729 -4.4729 -4.1647 -4.1647 -4.0475 -4.0475 -0.9273 -0.9273 -0.5036 -0.5036 0.0351 0.0351 0.1504 0.1504 0.1871 0.1871 0.3152 0.3152 1.1685 1.1685 1.3281 1.3281 1.3555 1.3555 1.7689 1.7689 1.8327 1.8327 2.4245 2.4245 2.4359 2.4359 2.5434 2.5434 2.5636 2.5636 3.1031 3.1031 3.2816 3.2816 3.2975 3.2975 3.3705 3.3705 3.3840 3.3840 3.4870 3.4870 7.7079 7.7079 7.9441 7.9441 8.6882 8.6882 9.6149 9.6149 10.0383 10.0383 10.2639 10.2639 11.1806 11.1806 11.2621 11.2621 k = 0.0614 0.1064 0.3382 ( 8548 PWs) bands (ev): -20.8378 -20.8378 -20.7104 -20.7104 -14.1924 -14.1924 -14.1026 -14.1026 -12.8267 -12.8267 -12.8157 -12.8157 -12.7772 -12.7772 -12.7716 -12.7716 -12.3385 -12.3385 -5.7224 -5.7224 -5.4075 -5.4075 -4.9388 -4.9388 -4.8484 -4.8484 -4.5639 -4.5639 -4.4755 -4.4755 -4.1825 -4.1825 -4.0660 -4.0660 -0.9250 -0.9250 -0.5060 -0.5060 0.0403 0.0403 0.1592 0.1592 0.1826 0.1826 0.3124 0.3124 1.1956 1.1956 1.3274 1.3274 1.3544 1.3544 1.7654 1.7654 1.8207 1.8207 2.4525 2.4525 2.4634 2.4634 2.5477 2.5477 2.5686 2.5686 3.0892 3.0892 3.2876 3.2876 3.3045 3.3045 3.3882 3.3882 3.3933 3.3933 3.4733 3.4733 7.7131 7.7131 7.9415 7.9415 8.6208 8.6208 9.6548 9.6548 10.0112 10.0112 10.2599 10.2599 11.1845 11.1845 11.2177 11.2177 k = 0.0526 0.0912 0.3382 ( 8528 PWs) bands (ev): -20.8387 -20.8387 -20.7096 -20.7096 -14.1982 -14.1982 -14.1075 -14.1075 -12.8150 -12.8150 -12.8078 -12.8078 -12.7755 -12.7755 -12.7709 -12.7709 -12.3422 -12.3422 -5.7247 -5.7247 -5.4042 -5.4042 -4.9432 -4.9432 -4.8491 -4.8491 -4.5649 -4.5649 -4.4777 -4.4777 -4.1981 -4.1981 -4.0823 -4.0823 -0.9231 -0.9231 -0.5082 -0.5082 0.0442 0.0442 0.1658 0.1658 0.1798 0.1798 0.3110 0.3110 1.2205 1.2205 1.3274 1.3274 1.3536 1.3536 1.7617 1.7617 1.8083 1.8083 2.4775 2.4775 2.4890 2.4890 2.5518 2.5518 2.5732 2.5732 3.0765 3.0765 3.2923 3.2923 3.3102 3.3102 3.4020 3.4020 3.4048 3.4048 3.4602 3.4602 7.7198 7.7198 7.9408 7.9408 8.5575 8.5575 9.6907 9.6907 9.9868 9.9868 10.2595 10.2595 11.1457 11.1457 11.2169 11.2169 k = 0.0439 0.0760 0.3382 ( 8540 PWs) bands (ev): -20.8395 -20.8395 -20.7090 -20.7090 -14.2032 -14.2032 -14.1117 -14.1117 -12.8053 -12.8053 -12.8013 -12.8013 -12.7736 -12.7736 -12.7698 -12.7698 -12.3456 -12.3456 -5.7267 -5.7267 -5.4013 -5.4013 -4.9471 -4.9471 -4.8496 -4.8496 -4.5657 -4.5657 -4.4796 -4.4796 -4.2115 -4.2115 -4.0963 -4.0963 -0.9215 -0.9215 -0.5103 -0.5103 0.0470 0.0470 0.1705 0.1705 0.1785 0.1785 0.3107 0.3107 1.2426 1.2426 1.3281 1.3281 1.3530 1.3530 1.7580 1.7580 1.7964 1.7964 2.4987 2.4987 2.5121 2.5121 2.5558 2.5558 2.5777 2.5777 3.0653 3.0653 3.2959 3.2959 3.3146 3.3146 3.4111 3.4111 3.4182 3.4182 3.4480 3.4480 7.7272 7.7272 7.9424 7.9424 8.4991 8.4991 9.7213 9.7213 9.9660 9.9660 10.2628 10.2628 11.0961 11.0961 11.2288 11.2288 k = 0.0351 0.0608 0.3382 ( 8544 PWs) bands (ev): -20.8402 -20.8402 -20.7084 -20.7084 -14.2073 -14.2073 -14.1152 -14.1152 -12.7982 -12.7982 -12.7961 -12.7961 -12.7716 -12.7716 -12.7683 -12.7683 -12.3485 -12.3485 -5.7284 -5.7284 -5.3989 -5.3989 -4.9504 -4.9504 -4.8499 -4.8499 -4.5665 -4.5665 -4.4812 -4.4812 -4.2225 -4.2225 -4.1079 -4.1079 -0.9203 -0.9203 -0.5120 -0.5120 0.0487 0.0487 0.1734 0.1734 0.1782 0.1782 0.3112 0.3112 1.2609 1.2609 1.3298 1.3298 1.3525 1.3525 1.7541 1.7541 1.7857 1.7857 2.5158 2.5158 2.5314 2.5314 2.5599 2.5599 2.5821 2.5821 3.0558 3.0558 3.2986 3.2986 3.3179 3.3179 3.4191 3.4191 3.4288 3.4288 3.4381 3.4381 7.7343 7.7343 7.9465 7.9465 8.4468 8.4468 9.7457 9.7457 9.9495 9.9495 10.2691 10.2691 11.0496 11.0496 11.2405 11.2405 k = 0.0263 0.0456 0.3382 ( 8540 PWs) bands (ev): -20.8407 -20.8407 -20.7080 -20.7080 -14.2105 -14.2105 -14.1179 -14.1179 -12.7942 -12.7942 -12.7915 -12.7915 -12.7697 -12.7697 -12.7664 -12.7664 -12.3509 -12.3509 -5.7297 -5.7297 -5.3970 -5.3970 -4.9530 -4.9530 -4.8500 -4.8500 -4.5671 -4.5671 -4.4824 -4.4824 -4.2311 -4.2311 -4.1170 -4.1170 -0.9194 -0.9194 -0.5135 -0.5135 0.0498 0.0498 0.1751 0.1751 0.1786 0.1786 0.3120 0.3120 1.2748 1.2748 1.3325 1.3325 1.3523 1.3523 1.7500 1.7500 1.7771 1.7771 2.5284 2.5284 2.5460 2.5460 2.5641 2.5641 2.5868 2.5868 3.0481 3.0481 3.3007 3.3007 3.3204 3.3204 3.4248 3.4248 3.4279 3.4279 3.4399 3.4399 7.7404 7.7404 7.9525 7.9525 8.4023 8.4023 9.7635 9.7635 9.9376 9.9376 10.2772 10.2772 11.0095 11.0095 11.2505 11.2505 k = 0.0175 0.0304 0.3382 ( 8542 PWs) bands (ev): -20.8410 -20.8410 -20.7077 -20.7077 -14.2128 -14.2128 -14.1198 -14.1198 -12.7919 -12.7919 -12.7882 -12.7882 -12.7681 -12.7681 -12.7644 -12.7644 -12.3526 -12.3526 -5.7306 -5.7306 -5.3956 -5.3956 -4.9550 -4.9550 -4.8501 -4.8501 -4.5675 -4.5675 -4.4833 -4.4833 -4.2373 -4.2373 -4.1236 -4.1236 -0.9188 -0.9188 -0.5145 -0.5145 0.0504 0.0504 0.1762 0.1762 0.1789 0.1789 0.3128 0.3128 1.2840 1.2840 1.3358 1.3358 1.3524 1.3524 1.7461 1.7461 1.7712 1.7712 2.5365 2.5365 2.5557 2.5557 2.5680 2.5680 2.5916 2.5916 3.0424 3.0424 3.3021 3.3021 3.3221 3.3221 3.4203 3.4203 3.4308 3.4308 3.4461 3.4461 7.7450 7.7450 7.9592 7.9592 8.3677 8.3677 9.7751 9.7751 9.9299 9.9299 10.2855 10.2855 10.9782 10.9782 11.2581 11.2581 k = 0.0088 0.0152 0.3382 ( 8538 PWs) bands (ev): -20.8412 -20.8412 -20.7075 -20.7075 -14.2141 -14.2141 -14.1210 -14.1210 -12.7907 -12.7907 -12.7865 -12.7865 -12.7671 -12.7671 -12.7629 -12.7629 -12.3537 -12.3537 -5.7312 -5.7312 -5.3948 -5.3948 -4.9562 -4.9562 -4.8502 -4.8502 -4.5678 -4.5678 -4.4839 -4.4839 -4.2410 -4.2410 -4.1275 -4.1275 -0.9184 -0.9184 -0.5151 -0.5151 0.0507 0.0507 0.1770 0.1770 0.1790 0.1790 0.3135 0.3135 1.2889 1.2889 1.3386 1.3386 1.3526 1.3526 1.7431 1.7431 1.7680 1.7680 2.5409 2.5409 2.5611 2.5611 2.5707 2.5707 2.5954 2.5954 3.0389 3.0389 3.3030 3.3030 3.3231 3.3231 3.4162 3.4162 3.4338 3.4338 3.4500 3.4500 7.7478 7.7478 7.9647 7.9647 8.3454 8.3454 9.7813 9.7813 9.9258 9.9258 10.2917 10.2917 10.9582 10.9582 11.2628 11.2628 k = 0.0000 0.0000 0.3382 ( 8542 PWs) bands (ev): -20.8413 -20.8413 -20.7074 -20.7074 -14.2146 -14.2146 -14.1214 -14.1214 -12.7903 -12.7903 -12.7859 -12.7859 -12.7667 -12.7667 -12.7623 -12.7623 -12.3541 -12.3541 -5.7314 -5.7314 -5.3945 -5.3945 -4.9566 -4.9566 -4.8502 -4.8502 -4.5679 -4.5679 -4.4840 -4.4840 -4.2422 -4.2422 -4.1289 -4.1289 -0.9183 -0.9183 -0.5154 -0.5154 0.0508 0.0508 0.1773 0.1773 0.1790 0.1790 0.3137 0.3137 1.2904 1.2904 1.3396 1.3396 1.3527 1.3527 1.7420 1.7420 1.7669 1.7669 2.5422 2.5422 2.5628 2.5628 2.5716 2.5716 2.5969 2.5969 3.0378 3.0378 3.3032 3.3032 3.3234 3.3234 3.4148 3.4148 3.4348 3.4348 3.4513 3.4513 7.7487 7.7487 7.9668 7.9668 8.3377 8.3377 9.7833 9.7833 9.9245 9.9245 10.2940 10.2940 10.9513 10.9513 11.2644 11.2644 k = 0.5000 0.2887 0.3382 ( 8548 PWs) bands (ev): -20.7943 -20.7943 -20.7497 -20.7497 -13.9138 -13.9138 -13.9101 -13.9101 -13.2472 -13.2472 -13.1492 -13.1492 -12.7913 -12.7913 -12.7820 -12.7820 -12.2666 -12.2666 -5.6260 -5.6260 -5.5209 -5.5209 -4.8974 -4.8974 -4.7177 -4.7177 -4.5248 -4.5248 -4.4375 -4.4375 -3.5767 -3.5767 -3.4892 -3.4892 -1.1397 -1.1397 -0.5318 -0.5318 -0.2302 -0.2302 0.1186 0.1186 0.4267 0.4267 0.4744 0.4744 0.5761 0.5761 1.2525 1.2525 1.4328 1.4328 1.6901 1.6901 1.7591 1.7591 1.8359 1.8359 2.1788 2.1788 2.2514 2.2514 2.3656 2.3656 2.9565 2.9565 2.9823 2.9823 3.1517 3.1517 3.3425 3.3425 3.5415 3.5415 3.5528 3.5528 8.0764 8.0764 8.1726 8.1726 8.5533 8.5533 9.7586 9.7586 10.4379 10.4379 11.0709 11.0709 11.6716 11.6716 11.9678 11.9678 k = 0.5000 0.2887 0.3204 ( 8550 PWs) bands (ev): -20.7943 -20.7943 -20.7497 -20.7497 -13.9140 -13.9140 -13.9099 -13.9099 -13.2473 -13.2473 -13.1491 -13.1491 -12.7913 -12.7913 -12.7819 -12.7819 -12.2667 -12.2667 -5.6260 -5.6260 -5.5209 -5.5209 -4.8975 -4.8975 -4.7177 -4.7177 -4.5248 -4.5248 -4.4375 -4.4375 -3.5767 -3.5767 -3.4893 -3.4893 -1.1394 -1.1394 -0.5324 -0.5324 -0.2295 -0.2295 0.1190 0.1190 0.4269 0.4269 0.4741 0.4741 0.5765 0.5765 1.2523 1.2523 1.4319 1.4319 1.6896 1.6896 1.7589 1.7589 1.8362 1.8362 2.1792 2.1792 2.2513 2.2513 2.3656 2.3656 2.9565 2.9565 2.9823 2.9823 3.1519 3.1519 3.3424 3.3424 3.5401 3.5401 3.5539 3.5539 8.0745 8.0745 8.1729 8.1729 8.5559 8.5559 9.7600 9.7600 10.4382 10.4382 11.0717 11.0717 11.6707 11.6707 11.9645 11.9645 k = 0.5000 0.2887 0.3026 ( 8548 PWs) bands (ev): -20.7943 -20.7943 -20.7497 -20.7497 -13.9146 -13.9146 -13.9093 -13.9093 -13.2477 -13.2477 -13.1486 -13.1486 -12.7915 -12.7915 -12.7818 -12.7818 -12.2668 -12.2668 -5.6260 -5.6260 -5.5209 -5.5209 -4.8976 -4.8976 -4.7178 -4.7178 -4.5247 -4.5247 -4.4375 -4.4375 -3.5766 -3.5766 -3.4896 -3.4896 -1.1385 -1.1385 -0.5342 -0.5342 -0.2275 -0.2275 0.1203 0.1203 0.4274 0.4274 0.4732 0.4732 0.5775 0.5775 1.2519 1.2519 1.4293 1.4293 1.6881 1.6881 1.7584 1.7584 1.8374 1.8374 2.1806 2.1806 2.2512 2.2512 2.3654 2.3654 2.9564 2.9564 2.9824 2.9824 3.1523 3.1523 3.3422 3.3422 3.5370 3.5370 3.5564 3.5564 8.0689 8.0689 8.1735 8.1735 8.5637 8.5637 9.7642 9.7642 10.4393 10.4393 11.0738 11.0738 11.6682 11.6682 11.9547 11.9547 k = 0.5000 0.2887 0.2848 ( 8554 PWs) bands (ev): -20.7943 -20.7943 -20.7497 -20.7497 -13.9154 -13.9154 -13.9085 -13.9085 -13.2483 -13.2483 -13.1479 -13.1479 -12.7918 -12.7918 -12.7815 -12.7815 -12.2669 -12.2669 -5.6261 -5.6261 -5.5210 -5.5210 -4.8977 -4.8977 -4.7178 -4.7178 -4.5246 -4.5246 -4.4374 -4.4374 -3.5766 -3.5766 -3.4901 -3.4901 -1.1371 -1.1371 -0.5371 -0.5371 -0.2242 -0.2242 0.1224 0.1224 0.4283 0.4283 0.4717 0.4717 0.5792 0.5792 1.2513 1.2513 1.4249 1.4249 1.6857 1.6857 1.7575 1.7575 1.8393 1.8393 2.1828 2.1828 2.2510 2.2510 2.3652 2.3652 2.9562 2.9562 2.9824 2.9824 3.1530 3.1530 3.3418 3.3418 3.5333 3.5333 3.5591 3.5591 8.0604 8.0604 8.1743 8.1743 8.5762 8.5762 9.7710 9.7710 10.4410 10.4410 11.0774 11.0774 11.6642 11.6642 11.9389 11.9389 k = 0.5000 0.2887 0.2670 ( 8548 PWs) bands (ev): -20.7943 -20.7943 -20.7497 -20.7497 -13.9162 -13.9162 -13.9077 -13.9077 -13.2492 -13.2492 -13.1469 -13.1469 -12.7921 -12.7921 -12.7811 -12.7811 -12.2671 -12.2671 -5.6262 -5.6262 -5.5211 -5.5211 -4.8979 -4.8979 -4.7178 -4.7178 -4.5244 -4.5244 -4.4374 -4.4374 -3.5765 -3.5765 -3.4907 -3.4907 -1.1351 -1.1351 -0.5410 -0.5410 -0.2197 -0.2197 0.1253 0.1253 0.4295 0.4295 0.4698 0.4698 0.5814 0.5814 1.2505 1.2505 1.4191 1.4191 1.6825 1.6825 1.7562 1.7562 1.8418 1.8418 2.1858 2.1858 2.2506 2.2506 2.3649 2.3649 2.9560 2.9560 2.9825 2.9825 3.1540 3.1540 3.3414 3.3414 3.5292 3.5292 3.5616 3.5616 8.0497 8.0497 8.1748 8.1748 8.5927 8.5927 9.7802 9.7802 10.4434 10.4434 11.0823 11.0823 11.6588 11.6588 11.9178 11.9178 k = 0.5000 0.2887 0.2492 ( 8544 PWs) bands (ev): -20.7943 -20.7943 -20.7497 -20.7497 -13.9171 -13.9171 -13.9068 -13.9068 -13.2502 -13.2502 -13.1457 -13.1457 -12.7925 -12.7925 -12.7807 -12.7807 -12.2673 -12.2673 -5.6263 -5.6263 -5.5212 -5.5212 -4.8982 -4.8982 -4.7179 -4.7179 -4.5242 -4.5242 -4.4373 -4.4373 -3.5765 -3.5765 -3.4915 -3.4915 -1.1327 -1.1327 -0.5457 -0.5457 -0.2143 -0.2143 0.1289 0.1289 0.4309 0.4309 0.4676 0.4676 0.5839 0.5839 1.2494 1.2494 1.4119 1.4119 1.6787 1.6787 1.7545 1.7545 1.8450 1.8450 2.1894 2.1894 2.2502 2.2502 2.3645 2.3645 2.9557 2.9557 2.9827 2.9827 3.1552 3.1552 3.3408 3.3408 3.5252 3.5252 3.5639 3.5639 8.0377 8.0377 8.1750 8.1750 8.6127 8.6127 9.7917 9.7917 10.4464 10.4464 11.0885 11.0885 11.6523 11.6523 11.8927 11.8927 k = 0.5000 0.2887 0.2314 ( 8532 PWs) bands (ev): -20.7943 -20.7943 -20.7497 -20.7497 -13.9179 -13.9179 -13.9059 -13.9059 -13.2513 -13.2513 -13.1444 -13.1444 -12.7929 -12.7929 -12.7803 -12.7803 -12.2675 -12.2675 -5.6264 -5.6264 -5.5213 -5.5213 -4.8985 -4.8985 -4.7180 -4.7180 -4.5240 -4.5240 -4.4372 -4.4372 -3.5764 -3.5764 -3.4925 -3.4925 -1.1299 -1.1299 -0.5510 -0.5510 -0.2081 -0.2081 0.1332 0.1332 0.4324 0.4324 0.4653 0.4653 0.5868 0.5868 1.2482 1.2482 1.4035 1.4035 1.6743 1.6743 1.7523 1.7523 1.8486 1.8486 2.1936 2.1936 2.2498 2.2498 2.3640 2.3640 2.9554 2.9554 2.9828 2.9828 3.1566 3.1566 3.3401 3.3401 3.5212 3.5212 3.5658 3.5658 8.0250 8.0250 8.1748 8.1748 8.6352 8.6352 9.8052 9.8052 10.4498 10.4498 11.0959 11.0959 11.6449 11.6449 11.8653 11.8653 k = 0.5000 0.2887 0.2136 ( 8540 PWs) bands (ev): -20.7943 -20.7943 -20.7497 -20.7497 -13.9187 -13.9187 -13.9051 -13.9051 -13.2526 -13.2526 -13.1429 -13.1429 -12.7934 -12.7934 -12.7798 -12.7798 -12.2678 -12.2678 -5.6265 -5.6265 -5.5214 -5.5214 -4.8988 -4.8988 -4.7181 -4.7181 -4.5237 -4.5237 -4.4371 -4.4371 -3.5763 -3.5763 -3.4935 -3.4935 -1.1267 -1.1267 -0.5569 -0.5569 -0.2013 -0.2013 0.1380 0.1380 0.4338 0.4338 0.4630 0.4630 0.5899 0.5899 1.2469 1.2469 1.3944 1.3944 1.6696 1.6696 1.7498 1.7498 1.8527 1.8527 2.1982 2.1982 2.2493 2.2493 2.3634 2.3634 2.9550 2.9550 2.9829 2.9829 3.1581 3.1581 3.3393 3.3393 3.5173 3.5173 3.5673 3.5673 8.0122 8.0122 8.1741 8.1741 8.6595 8.6595 9.8202 9.8202 10.4537 10.4537 11.1045 11.1045 11.6367 11.6367 11.8371 11.8371 k = 0.5000 0.2887 0.1958 ( 8540 PWs) bands (ev): -20.7943 -20.7943 -20.7497 -20.7497 -13.9194 -13.9194 -13.9043 -13.9043 -13.2539 -13.2539 -13.1413 -13.1413 -12.7938 -12.7938 -12.7794 -12.7794 -12.2681 -12.2681 -5.6266 -5.6266 -5.5215 -5.5215 -4.8991 -4.8991 -4.7181 -4.7181 -4.5234 -4.5234 -4.4370 -4.4370 -3.5761 -3.5761 -3.4946 -3.4946 -1.1232 -1.1232 -0.5630 -0.5630 -0.1941 -0.1941 0.1433 0.1433 0.4350 0.4350 0.4609 0.4609 0.5930 0.5930 1.2455 1.2455 1.3846 1.3846 1.6646 1.6646 1.7468 1.7468 1.8570 1.8570 2.2030 2.2030 2.2487 2.2487 2.3628 2.3628 2.9546 2.9546 2.9831 2.9831 3.1597 3.1597 3.3385 3.3385 3.5137 3.5137 3.5684 3.5684 7.9996 7.9996 8.1731 8.1731 8.6850 8.6850 9.8363 9.8363 10.4578 10.4578 11.1140 11.1140 11.6278 11.6278 11.8096 11.8096 k = 0.5000 0.2887 0.1780 ( 8530 PWs) bands (ev): -20.7943 -20.7943 -20.7497 -20.7497 -13.9202 -13.9202 -13.9036 -13.9036 -13.2552 -13.2552 -13.1397 -13.1397 -12.7943 -12.7943 -12.7789 -12.7789 -12.2684 -12.2684 -5.6268 -5.6268 -5.5217 -5.5217 -4.8995 -4.8995 -4.7182 -4.7182 -4.5231 -4.5231 -4.4369 -4.4369 -3.5760 -3.5760 -3.4958 -3.4958 -1.1196 -1.1196 -0.5693 -0.5693 -0.1867 -0.1867 0.1489 0.1489 0.4359 0.4359 0.4592 0.4592 0.5961 0.5961 1.2440 1.2440 1.3745 1.3745 1.6595 1.6595 1.7435 1.7435 1.8615 1.8615 2.2080 2.2080 2.2481 2.2481 2.3622 2.3622 2.9542 2.9542 2.9832 2.9832 3.1614 3.1614 3.3376 3.3376 3.5104 3.5104 3.5691 3.5691 7.9876 7.9876 8.1718 8.1718 8.7109 8.7109 9.8532 9.8532 10.4621 10.4621 11.1246 11.1246 11.6183 11.6183 11.7841 11.7841 k = 0.5000 0.2887 0.1602 ( 8530 PWs) bands (ev): -20.7943 -20.7943 -20.7497 -20.7497 -13.9208 -13.9208 -13.9029 -13.9029 -13.2566 -13.2566 -13.1381 -13.1381 -12.7947 -12.7947 -12.7785 -12.7785 -12.2687 -12.2687 -5.6269 -5.6269 -5.5218 -5.5218 -4.8999 -4.8999 -4.7183 -4.7183 -4.5229 -4.5229 -4.4368 -4.4368 -3.5758 -3.5758 -3.4970 -3.4970 -1.1160 -1.1160 -0.5754 -0.5754 -0.1793 -0.1793 0.1547 0.1547 0.4363 0.4363 0.4579 0.4579 0.5990 0.5990 1.2426 1.2426 1.3643 1.3643 1.6545 1.6545 1.7400 1.7400 1.8660 1.8660 2.2130 2.2130 2.2475 2.2475 2.3615 2.3615 2.9538 2.9538 2.9834 2.9834 3.1631 3.1631 3.3368 3.3368 3.5074 3.5074 3.5695 3.5695 7.9764 7.9764 8.1703 8.1703 8.7366 8.7366 9.8702 9.8702 10.4665 10.4665 11.1362 11.1362 11.6081 11.6081 11.7612 11.7612 k = 0.5000 0.2887 0.1424 ( 8540 PWs) bands (ev): -20.7943 -20.7943 -20.7497 -20.7497 -13.9214 -13.9214 -13.9022 -13.9022 -13.2578 -13.2578 -13.1366 -13.1366 -12.7951 -12.7951 -12.7781 -12.7781 -12.2690 -12.2690 -5.6271 -5.6271 -5.5219 -5.5219 -4.9002 -4.9002 -4.7184 -4.7184 -4.5226 -4.5226 -4.4367 -4.4367 -3.5757 -3.5757 -3.4982 -3.4982 -1.1123 -1.1123 -0.5814 -0.5814 -0.1721 -0.1721 0.1606 0.1606 0.4364 0.4364 0.4571 0.4571 0.6019 0.6019 1.2412 1.2412 1.3545 1.3545 1.6497 1.6497 1.7363 1.7363 1.8705 1.8705 2.2179 2.2179 2.2470 2.2470 2.3608 2.3608 2.9534 2.9534 2.9835 2.9835 3.1647 3.1647 3.3359 3.3359 3.5048 3.5048 3.5695 3.5695 7.9661 7.9661 8.1687 8.1687 8.7616 8.7616 9.8869 9.8869 10.4708 10.4708 11.1489 11.1489 11.5972 11.5972 11.7410 11.7410 k = 0.5000 0.2887 0.1246 ( 8530 PWs) bands (ev): -20.7943 -20.7943 -20.7497 -20.7497 -13.9220 -13.9220 -13.9016 -13.9016 -13.2590 -13.2590 -13.1351 -13.1351 -12.7955 -12.7955 -12.7777 -12.7777 -12.2693 -12.2693 -5.6272 -5.6272 -5.5221 -5.5221 -4.9006 -4.9006 -4.7185 -4.7185 -4.5223 -4.5223 -4.4366 -4.4366 -3.5755 -3.5755 -3.4994 -3.4994 -1.1088 -1.1088 -0.5871 -0.5871 -0.1653 -0.1653 0.1664 0.1664 0.4360 0.4360 0.4567 0.4567 0.6044 0.6044 1.2398 1.2398 1.3451 1.3451 1.6452 1.6452 1.7326 1.7326 1.8748 1.8748 2.2225 2.2225 2.2464 2.2464 2.3601 2.3601 2.9530 2.9530 2.9837 2.9837 3.1663 3.1663 3.3351 3.3351 3.5025 3.5025 3.5694 3.5694 7.9570 7.9570 8.1671 8.1671 8.7852 8.7852 9.9029 9.9029 10.4750 10.4750 11.1626 11.1626 11.5858 11.5858 11.7228 11.7228 k = 0.5000 0.2887 0.1068 ( 8534 PWs) bands (ev): -20.7943 -20.7943 -20.7497 -20.7497 -13.9225 -13.9225 -13.9011 -13.9011 -13.2601 -13.2601 -13.1338 -13.1338 -12.7958 -12.7958 -12.7774 -12.7774 -12.2696 -12.2696 -5.6274 -5.6274 -5.5222 -5.5222 -4.9009 -4.9009 -4.7186 -4.7186 -4.5220 -4.5220 -4.4365 -4.4365 -3.5754 -3.5754 -3.5004 -3.5004 -1.1056 -1.1056 -0.5922 -0.5922 -0.1590 -0.1590 0.1719 0.1719 0.4355 0.4355 0.4565 0.4565 0.6067 0.6067 1.2386 1.2386 1.3364 1.3364 1.6411 1.6411 1.7290 1.7290 1.8788 1.8788 2.2267 2.2267 2.2458 2.2458 2.3595 2.3595 2.9526 2.9526 2.9838 2.9838 3.1677 3.1677 3.3343 3.3343 3.5006 3.5006 3.5690 3.5690 7.9490 7.9490 8.1655 8.1655 8.8069 8.8069 9.9175 9.9175 10.4788 10.4788 11.1775 11.1775 11.5738 11.5738 11.7050 11.7050 k = 0.5000 0.2887 0.0890 ( 8514 PWs) bands (ev): -20.7943 -20.7943 -20.7497 -20.7497 -13.9229 -13.9229 -13.9007 -13.9007 -13.2610 -13.2610 -13.1327 -13.1327 -12.7961 -12.7961 -12.7771 -12.7771 -12.2699 -12.2699 -5.6275 -5.6275 -5.5223 -5.5223 -4.9012 -4.9012 -4.7187 -4.7187 -4.5218 -4.5218 -4.4364 -4.4364 -3.5752 -3.5752 -3.5014 -3.5014 -1.1026 -1.1026 -0.5968 -0.5968 -0.1534 -0.1534 0.1769 0.1769 0.4349 0.4349 0.4564 0.4564 0.6087 0.6087 1.2375 1.2375 1.3287 1.3287 1.6375 1.6375 1.7257 1.7257 1.8823 1.8823 2.2305 2.2305 2.2453 2.2453 2.3589 2.3589 2.9523 2.9523 2.9839 2.9839 3.1690 3.1690 3.3336 3.3336 3.4990 3.4990 3.5686 3.5686 7.9422 7.9422 8.1641 8.1641 8.8263 8.8263 9.9305 9.9305 10.4823 10.4823 11.1934 11.1934 11.5617 11.5617 11.6863 11.6863 k = 0.5000 0.2887 0.0712 ( 8508 PWs) bands (ev): -20.7943 -20.7943 -20.7497 -20.7497 -13.9232 -13.9232 -13.9003 -13.9003 -13.2618 -13.2618 -13.1317 -13.1317 -12.7963 -12.7963 -12.7769 -12.7769 -12.2701 -12.2701 -5.6276 -5.6276 -5.5224 -5.5224 -4.9015 -4.9015 -4.7187 -4.7187 -4.5216 -4.5216 -4.4363 -4.4363 -3.5751 -3.5751 -3.5022 -3.5022 -1.1001 -1.1001 -0.6007 -0.6007 -0.1486 -0.1486 0.1813 0.1813 0.4343 0.4343 0.4563 0.4563 0.6104 0.6104 1.2366 1.2366 1.3222 1.3222 1.6345 1.6345 1.7228 1.7228 1.8854 1.8854 2.2337 2.2337 2.2449 2.2449 2.3584 2.3584 2.9520 2.9520 2.9840 2.9840 3.1701 3.1701 3.3330 3.3330 3.4977 3.4977 3.5681 3.5681 7.9366 7.9366 8.1628 8.1628 8.8429 8.8429 9.9416 9.9416 10.4853 10.4853 11.2100 11.2100 11.5495 11.5495 11.6666 11.6666 k = 0.5000 0.2887 0.0534 ( 8496 PWs) bands (ev): -20.7943 -20.7943 -20.7497 -20.7497 -13.9235 -13.9235 -13.9000 -13.9000 -13.2625 -13.2625 -13.1309 -13.1309 -12.7965 -12.7965 -12.7767 -12.7767 -12.2702 -12.2702 -5.6277 -5.6277 -5.5225 -5.5225 -4.9017 -4.9017 -4.7188 -4.7188 -4.5214 -4.5214 -4.4362 -4.4362 -3.5750 -3.5750 -3.5029 -3.5029 -1.0980 -1.0980 -0.6038 -0.6038 -0.1448 -0.1448 0.1849 0.1849 0.4338 0.4338 0.4561 0.4561 0.6117 0.6117 1.2359 1.2359 1.3169 1.3169 1.6320 1.6320 1.7204 1.7204 1.8879 1.8879 2.2363 2.2363 2.2444 2.2444 2.3580 2.3580 2.9518 2.9518 2.9841 2.9841 3.1709 3.1709 3.3325 3.3325 3.4968 3.4968 3.5676 3.5676 7.9323 7.9323 8.1618 8.1618 8.8563 8.8563 9.9503 9.9503 10.4877 10.4877 11.2262 11.2262 11.5374 11.5374 11.6474 11.6474 k = 0.5000 0.2887 0.0356 ( 8490 PWs) bands (ev): -20.7943 -20.7943 -20.7497 -20.7497 -13.9237 -13.9237 -13.8998 -13.8998 -13.2629 -13.2629 -13.1303 -13.1303 -12.7966 -12.7966 -12.7765 -12.7765 -12.2704 -12.2704 -5.6277 -5.6277 -5.5225 -5.5225 -4.9018 -4.9018 -4.7188 -4.7188 -4.5213 -4.5213 -4.4362 -4.4362 -3.5749 -3.5749 -3.5034 -3.5034 -1.0965 -1.0965 -0.6061 -0.6061 -0.1420 -0.1420 0.1876 0.1876 0.4335 0.4335 0.4560 0.4560 0.6127 0.6127 1.2353 1.2353 1.3131 1.3131 1.6303 1.6303 1.7185 1.7185 1.8897 1.8897 2.2383 2.2383 2.2440 2.2440 2.3577 2.3577 2.9517 2.9517 2.9842 2.9842 3.1716 3.1716 3.3321 3.3321 3.4962 3.4962 3.5673 3.5673 7.9292 7.9292 8.1610 8.1610 8.8661 8.8661 9.9567 9.9567 10.4894 10.4894 11.2406 11.2406 11.5261 11.5261 11.6317 11.6317 k = 0.5000 0.2887 0.0178 ( 8502 PWs) bands (ev): -20.7943 -20.7943 -20.7497 -20.7497 -13.9238 -13.9238 -13.8997 -13.8997 -13.2632 -13.2632 -13.1300 -13.1300 -12.7967 -12.7967 -12.7765 -12.7765 -12.2705 -12.2705 -5.6278 -5.6278 -5.5226 -5.5226 -4.9019 -4.9019 -4.7188 -4.7188 -4.5212 -4.5212 -4.4362 -4.4362 -3.5749 -3.5749 -3.5037 -3.5037 -1.0956 -1.0956 -0.6074 -0.6074 -0.1402 -0.1402 0.1893 0.1893 0.4333 0.4333 0.4559 0.4559 0.6132 0.6132 1.2350 1.2350 1.3107 1.3107 1.6292 1.6292 1.7174 1.7174 1.8908 1.8908 2.2396 2.2396 2.2437 2.2437 2.3575 2.3575 2.9516 2.9516 2.9842 2.9842 3.1720 3.1720 3.3319 3.3319 3.4958 3.4958 3.5670 3.5670 7.9274 7.9274 8.1605 8.1605 8.8721 8.8721 9.9606 9.9606 10.4905 10.4905 11.2509 11.2509 11.5176 11.5176 11.6215 11.6215 k = 0.5000 0.2887-0.0000 ( 8504 PWs) bands (ev): -20.7943 -20.7943 -20.7497 -20.7497 -13.9238 -13.9238 -13.8996 -13.8996 -13.2633 -13.2633 -13.1298 -13.1298 -12.7967 -12.7967 -12.7764 -12.7764 -12.2705 -12.2705 -5.6278 -5.6278 -5.5226 -5.5226 -4.9019 -4.9019 -4.7189 -4.7189 -4.5212 -4.5212 -4.4362 -4.4362 -3.5748 -3.5748 -3.5038 -3.5038 -1.0953 -1.0953 -0.6079 -0.6079 -0.1397 -0.1397 0.1899 0.1899 0.4333 0.4333 0.4559 0.4559 0.6134 0.6134 1.2349 1.2349 1.3099 1.3099 1.6288 1.6288 1.7170 1.7170 1.8912 1.8912 2.2401 2.2401 2.2436 2.2436 2.3574 2.3574 2.9515 2.9515 2.9842 2.9842 3.1721 3.1721 3.3318 3.3318 3.4957 3.4957 3.5669 3.5669 7.9267 7.9267 8.1604 8.1604 8.8741 8.8741 9.9619 9.9619 10.4908 10.4908 11.2547 11.2547 11.5143 11.5143 11.6180 11.6180 k = 0.3333 0.5774-0.0000 ( 8514 PWs) bands (ev): -20.7717 -20.7717 -20.7717 -20.7717 -13.8540 -13.8540 -13.8536 -13.8536 -13.3603 -13.3603 -13.1939 -13.1939 -12.7931 -12.7931 -12.7713 -12.7713 -12.2659 -12.2659 -5.5868 -5.5868 -5.5645 -5.5645 -4.9105 -4.9105 -4.6578 -4.6578 -4.5814 -4.5814 -4.3975 -4.3975 -3.4336 -3.4336 -3.4258 -3.4258 -1.0841 -1.0841 -0.7988 -0.7988 -0.0856 -0.0856 0.0946 0.0946 0.1380 0.1380 0.6136 0.6136 0.7286 0.7286 1.3084 1.3084 1.4410 1.4410 1.4504 1.4504 1.8408 1.8408 1.8466 1.8466 2.3132 2.3132 2.5116 2.5116 2.5141 2.5141 2.5160 2.5160 2.5277 2.5277 3.2564 3.2564 3.2634 3.2634 3.5890 3.5890 3.5913 3.5913 7.2864 7.2864 8.8068 8.8068 8.9629 8.9629 10.1722 10.1722 11.0021 11.0021 11.1409 11.1409 11.3778 11.3778 11.9669 11.9676 k = 0.3333 0.5774 0.0178 ( 8529 PWs) bands (ev): -20.7717 -20.7717 -20.7717 -20.7717 -13.8540 -13.8540 -13.8536 -13.8536 -13.3602 -13.3602 -13.1941 -13.1941 -12.7931 -12.7931 -12.7713 -12.7713 -12.2659 -12.2659 -5.5868 -5.5868 -5.5645 -5.5645 -4.9105 -4.9105 -4.6578 -4.6578 -4.5814 -4.5814 -4.3975 -4.3975 -3.4336 -3.4336 -3.4258 -3.4258 -1.0842 -1.0842 -0.7983 -0.7983 -0.0862 -0.0862 0.0938 0.0938 0.1372 0.1372 0.6141 0.6141 0.7290 0.7290 1.3090 1.3090 1.4417 1.4417 1.4511 1.4511 1.8407 1.8407 1.8465 1.8465 2.3128 2.3128 2.5112 2.5112 2.5140 2.5140 2.5161 2.5161 2.5278 2.5278 3.2563 3.2563 3.2634 3.2634 3.5890 3.5890 3.5913 3.5913 7.2876 7.2876 8.8064 8.8064 8.9625 8.9625 10.1661 10.1661 10.9994 10.9994 11.1377 11.1377 11.3839 11.3839 11.9687 11.9690 k = 0.3333 0.5774 0.0356 ( 8523 PWs) bands (ev): -20.7717 -20.7717 -20.7717 -20.7717 -13.8540 -13.8540 -13.8536 -13.8536 -13.3598 -13.3598 -13.1946 -13.1946 -12.7931 -12.7931 -12.7713 -12.7713 -12.2658 -12.2658 -5.5867 -5.5867 -5.5645 -5.5645 -4.9104 -4.9104 -4.6578 -4.6578 -4.5815 -4.5815 -4.3975 -4.3975 -3.4335 -3.4335 -3.4257 -3.4257 -1.0845 -1.0845 -0.7969 -0.7969 -0.0880 -0.0880 0.0912 0.0912 0.1347 0.1347 0.6154 0.6154 0.7304 0.7304 1.3107 1.3107 1.4437 1.4437 1.4531 1.4531 1.8402 1.8402 1.8459 1.8459 2.3114 2.3114 2.5102 2.5102 2.5139 2.5139 2.5163 2.5163 2.5283 2.5283 3.2561 3.2561 3.2632 3.2632 3.5892 3.5892 3.5915 3.5915 7.2914 7.2914 8.8054 8.8054 8.9614 8.9614 10.1484 10.1484 10.9913 10.9913 11.1283 11.1283 11.4016 11.4016 11.9736 11.9742 k = 0.3333 0.5774 0.0534 ( 8505 PWs) bands (ev): -20.7717 -20.7717 -20.7717 -20.7717 -13.8540 -13.8540 -13.8536 -13.8536 -13.3592 -13.3592 -13.1953 -13.1953 -12.7931 -12.7931 -12.7713 -12.7713 -12.2656 -12.2656 -5.5867 -5.5867 -5.5643 -5.5643 -4.9102 -4.9102 -4.6578 -4.6578 -4.5816 -4.5816 -4.3976 -4.3976 -3.4334 -3.4334 -3.4255 -3.4255 -1.0851 -1.0851 -0.7946 -0.7946 -0.0910 -0.0910 0.0871 0.0871 0.1306 0.1306 0.6175 0.6175 0.7325 0.7325 1.3136 1.3136 1.4469 1.4469 1.4563 1.4563 1.8394 1.8394 1.8451 1.8451 2.3093 2.3093 2.5087 2.5087 2.5136 2.5136 2.5165 2.5165 2.5290 2.5290 3.2557 3.2557 3.2629 3.2629 3.5896 3.5896 3.5918 3.5918 7.2977 7.2977 8.8038 8.8038 8.9596 8.9596 10.1203 10.1203 10.9784 10.9784 11.1135 11.1135 11.4295 11.4295 11.9806 11.9809 k = 0.3333 0.5774 0.0712 ( 8505 PWs) bands (ev): -20.7717 -20.7717 -20.7717 -20.7717 -13.8540 -13.8540 -13.8536 -13.8536 -13.3584 -13.3584 -13.1963 -13.1963 -12.7931 -12.7931 -12.7713 -12.7713 -12.2654 -12.2654 -5.5867 -5.5867 -5.5642 -5.5642 -4.9100 -4.9100 -4.6578 -4.6578 -4.5817 -4.5817 -4.3977 -4.3977 -3.4332 -3.4332 -3.4253 -3.4253 -1.0858 -1.0858 -0.7914 -0.7914 -0.0950 -0.0950 0.0816 0.0816 0.1252 0.1252 0.6203 0.6203 0.7354 0.7354 1.3175 1.3175 1.4514 1.4514 1.4607 1.4607 1.8383 1.8383 1.8439 1.8439 2.3063 2.3063 2.5070 2.5070 2.5133 2.5133 2.5164 2.5164 2.5300 2.5300 3.2552 3.2552 3.2625 3.2625 3.5900 3.5900 3.5921 3.5921 7.3063 7.3063 8.8015 8.8015 8.9571 8.9571 10.0836 10.0836 10.9617 10.9617 11.0947 11.0947 11.4656 11.4656 11.9888 11.9888 k = 0.3333 0.5774 0.0890 ( 8508 PWs) bands (ev): -20.7717 -20.7717 -20.7717 -20.7717 -13.8540 -13.8540 -13.8536 -13.8536 -13.3574 -13.3574 -13.1976 -13.1976 -12.7931 -12.7931 -12.7713 -12.7713 -12.2651 -12.2651 -5.5866 -5.5866 -5.5640 -5.5640 -4.9097 -4.9097 -4.6578 -4.6578 -4.5819 -4.5819 -4.3978 -4.3978 -3.4329 -3.4329 -3.4250 -3.4250 -1.0867 -1.0867 -0.7875 -0.7875 -0.1000 -0.1000 0.0749 0.0749 0.1186 0.1186 0.6237 0.6237 0.7389 0.7389 1.3224 1.3224 1.4570 1.4570 1.4663 1.4663 1.8369 1.8369 1.8424 1.8424 2.3027 2.3027 2.5050 2.5050 2.5129 2.5129 2.5162 2.5162 2.5312 2.5312 3.2546 3.2546 3.2621 3.2621 3.5905 3.5905 3.5926 3.5926 7.3171 7.3171 8.7987 8.7987 8.9540 8.9540 10.0402 10.0402 10.9421 10.9421 11.0729 11.0729 11.5079 11.5079 11.9970 11.9971 k = 0.3333 0.5774 0.1068 ( 8517 PWs) bands (ev): -20.7717 -20.7717 -20.7717 -20.7717 -13.8540 -13.8540 -13.8536 -13.8536 -13.3561 -13.3561 -13.1992 -13.1992 -12.7931 -12.7931 -12.7713 -12.7713 -12.2647 -12.2647 -5.5866 -5.5866 -5.5638 -5.5638 -4.9094 -4.9094 -4.6578 -4.6578 -4.5821 -4.5821 -4.3979 -4.3979 -3.4326 -3.4326 -3.4247 -3.4247 -1.0878 -1.0878 -0.7829 -0.7829 -0.1058 -0.1058 0.0672 0.0672 0.1110 0.1110 0.6274 0.6274 0.7427 0.7427 1.3281 1.3281 1.4635 1.4635 1.4728 1.4728 1.8353 1.8353 1.8405 1.8405 2.2983 2.2983 2.5029 2.5029 2.5124 2.5124 2.5158 2.5158 2.5325 2.5325 3.2539 3.2539 3.2615 3.2615 3.5912 3.5912 3.5932 3.5932 7.3298 7.3298 8.7955 8.7955 8.9504 8.9504 9.9922 9.9922 10.9205 10.9205 11.0493 11.0493 11.5542 11.5542 12.0048 12.0049 k = 0.3333 0.5774 0.1246 ( 8508 PWs) bands (ev): -20.7717 -20.7717 -20.7717 -20.7717 -13.8540 -13.8540 -13.8537 -13.8537 -13.3548 -13.3548 -13.2009 -13.2009 -12.7931 -12.7931 -12.7713 -12.7713 -12.2644 -12.2644 -5.5865 -5.5865 -5.5636 -5.5636 -4.9090 -4.9090 -4.6578 -4.6578 -4.5823 -4.5823 -4.3981 -4.3981 -3.4323 -3.4323 -3.4243 -3.4243 -1.0889 -1.0889 -0.7777 -0.7777 -0.1124 -0.1124 0.0588 0.0588 0.1027 0.1027 0.6315 0.6315 0.7469 0.7469 1.3345 1.3345 1.4709 1.4709 1.4802 1.4802 1.8333 1.8333 1.8384 1.8384 2.2934 2.2934 2.5008 2.5008 2.5118 2.5118 2.5153 2.5153 2.5340 2.5340 3.2531 3.2531 3.2609 3.2609 3.5919 3.5919 3.5938 3.5938 7.3442 7.3442 8.7918 8.7918 8.9464 8.9464 9.9411 9.9411 10.8980 10.8980 11.0248 11.0248 11.6027 11.6027 12.0119 12.0121 k = 0.3333 0.5774 0.1424 ( 8538 PWs) bands (ev): -20.7717 -20.7717 -20.7717 -20.7717 -13.8540 -13.8540 -13.8537 -13.8537 -13.3532 -13.3532 -13.2028 -13.2028 -12.7931 -12.7931 -12.7713 -12.7713 -12.2639 -12.2639 -5.5865 -5.5865 -5.5633 -5.5633 -4.9086 -4.9086 -4.6578 -4.6578 -4.5825 -4.5825 -4.3982 -4.3982 -3.4319 -3.4319 -3.4239 -3.4239 -1.0901 -1.0901 -0.7721 -0.7721 -0.1195 -0.1195 0.0500 0.0500 0.0939 0.0939 0.6356 0.6356 0.7512 0.7512 1.3414 1.3414 1.4790 1.4790 1.4882 1.4882 1.8310 1.8310 1.8360 1.8360 2.2880 2.2880 2.4985 2.4985 2.5113 2.5113 2.5147 2.5147 2.5355 2.5355 3.2522 3.2522 3.2602 3.2602 3.5927 3.5927 3.5945 3.5945 7.3600 7.3600 8.7879 8.7879 8.9421 8.9421 9.8886 9.8886 10.8751 10.8751 11.0003 11.0003 11.6516 11.6516 12.0183 12.0183 k = 0.3333 0.5774 0.1602 ( 8541 PWs) bands (ev): -20.7717 -20.7717 -20.7717 -20.7717 -13.8541 -13.8541 -13.8537 -13.8537 -13.3516 -13.3516 -13.2048 -13.2048 -12.7931 -12.7931 -12.7713 -12.7713 -12.2635 -12.2635 -5.5864 -5.5864 -5.5631 -5.5631 -4.9082 -4.9082 -4.6577 -4.6577 -4.5828 -4.5828 -4.3984 -4.3984 -3.4316 -3.4316 -3.4235 -3.4235 -1.0913 -1.0913 -0.7661 -0.7661 -0.1270 -0.1270 0.0410 0.0410 0.0850 0.0850 0.6398 0.6398 0.7555 0.7555 1.3487 1.3487 1.4875 1.4875 1.4968 1.4968 1.8285 1.8285 1.8333 1.8333 2.2824 2.2824 2.4963 2.4963 2.5106 2.5106 2.5140 2.5140 2.5371 2.5371 3.2513 3.2513 3.2596 3.2596 3.5935 3.5935 3.5952 3.5952 7.3768 7.3768 8.7839 8.7839 8.9376 8.9376 9.8360 9.8360 10.8527 10.8527 10.9764 10.9764 11.6994 11.6994 12.0239 12.0240 k = 0.3333 0.5774 0.1780 ( 8553 PWs) bands (ev): -20.7717 -20.7717 -20.7717 -20.7717 -13.8541 -13.8541 -13.8537 -13.8537 -13.3499 -13.3499 -13.2069 -13.2069 -12.7931 -12.7931 -12.7713 -12.7713 -12.2631 -12.2631 -5.5864 -5.5864 -5.5628 -5.5628 -4.9078 -4.9078 -4.6577 -4.6577 -4.5830 -4.5830 -4.3986 -4.3986 -3.4312 -3.4312 -3.4231 -3.4231 -1.0925 -1.0925 -0.7600 -0.7600 -0.1347 -0.1347 0.0320 0.0320 0.0761 0.0761 0.6438 0.6438 0.7596 0.7596 1.3562 1.3562 1.4963 1.4963 1.5056 1.5056 1.8258 1.8258 1.8304 1.8304 2.2765 2.2765 2.4941 2.4941 2.5100 2.5100 2.5133 2.5133 2.5386 2.5386 3.2504 3.2504 3.2588 3.2588 3.5943 3.5943 3.5959 3.5959 7.3942 7.3942 8.7798 8.7798 8.9331 8.9331 9.7846 9.7846 10.8312 10.8312 10.9537 10.9537 11.7450 11.7450 12.0290 12.0290 k = 0.3333 0.5774 0.1958 ( 8553 PWs) bands (ev): -20.7717 -20.7717 -20.7717 -20.7717 -13.8541 -13.8541 -13.8537 -13.8537 -13.3482 -13.3482 -13.2090 -13.2090 -12.7931 -12.7931 -12.7713 -12.7713 -12.2627 -12.2627 -5.5863 -5.5863 -5.5625 -5.5625 -4.9074 -4.9074 -4.6577 -4.6577 -4.5833 -4.5833 -4.3987 -4.3987 -3.4308 -3.4308 -3.4226 -3.4226 -1.0936 -1.0936 -0.7540 -0.7540 -0.1423 -0.1423 0.0234 0.0234 0.0675 0.0675 0.6476 0.6476 0.7636 0.7636 1.3635 1.3635 1.5052 1.5052 1.5145 1.5145 1.8230 1.8230 1.8274 1.8274 2.2706 2.2706 2.4921 2.4921 2.5094 2.5094 2.5125 2.5125 2.5400 2.5400 3.2495 3.2495 3.2581 3.2581 3.5952 3.5952 3.5967 3.5967 7.4118 7.4118 8.7757 8.7757 8.9287 8.9287 9.7354 9.7354 10.8111 10.8111 10.9326 10.9326 11.7872 11.7872 12.0335 12.0337 k = 0.3333 0.5774 0.2136 ( 8529 PWs) bands (ev): -20.7717 -20.7717 -20.7717 -20.7717 -13.8541 -13.8541 -13.8537 -13.8537 -13.3465 -13.3465 -13.2110 -13.2110 -12.7931 -12.7931 -12.7713 -12.7713 -12.2623 -12.2623 -5.5863 -5.5863 -5.5623 -5.5623 -4.9070 -4.9070 -4.6577 -4.6577 -4.5835 -4.5835 -4.3989 -4.3989 -3.4304 -3.4304 -3.4222 -3.4222 -1.0947 -1.0947 -0.7480 -0.7480 -0.1497 -0.1497 0.0153 0.0153 0.0594 0.0594 0.6511 0.6511 0.7672 0.7672 1.3707 1.3707 1.5138 1.5138 1.5232 1.5232 1.8201 1.8201 1.8243 1.8243 2.2649 2.2649 2.4901 2.4901 2.5088 2.5088 2.5118 2.5118 2.5414 2.5414 3.2486 3.2486 3.2575 3.2575 3.5960 3.5960 3.5974 3.5974 7.4290 7.4290 8.7719 8.7719 8.9244 8.9244 9.6893 9.6893 10.7927 10.7927 10.9134 10.9134 11.8251 11.8251 12.0374 12.0375 k = 0.3333 0.5774 0.2314 ( 8523 PWs) bands (ev): -20.7717 -20.7717 -20.7717 -20.7717 -13.8541 -13.8541 -13.8537 -13.8537 -13.3449 -13.3449 -13.2130 -13.2130 -12.7931 -12.7931 -12.7713 -12.7713 -12.2619 -12.2619 -5.5862 -5.5862 -5.5620 -5.5620 -4.9066 -4.9066 -4.6577 -4.6577 -4.5837 -4.5837 -4.3991 -4.3991 -3.4301 -3.4301 -3.4219 -3.4219 -1.0956 -1.0956 -0.7425 -0.7425 -0.1567 -0.1567 0.0078 0.0078 0.0520 0.0520 0.6542 0.6542 0.7705 0.7705 1.3774 1.3774 1.5221 1.5221 1.5315 1.5315 1.8172 1.8172 1.8213 1.8213 2.2595 2.2595 2.4884 2.4884 2.5083 2.5083 2.5112 2.5112 2.5427 2.5427 3.2478 3.2478 3.2568 3.2568 3.5967 3.5967 3.5980 3.5980 7.4454 7.4454 8.7683 8.7683 8.9205 8.9205 9.6473 9.6473 10.7763 10.7763 10.8963 10.8963 11.8582 11.8582 12.0408 12.0411 k = 0.3333 0.5774 0.2492 ( 8499 PWs) bands (ev): -20.7717 -20.7717 -20.7717 -20.7717 -13.8541 -13.8541 -13.8537 -13.8537 -13.3434 -13.3434 -13.2148 -13.2148 -12.7931 -12.7931 -12.7713 -12.7713 -12.2615 -12.2615 -5.5862 -5.5862 -5.5618 -5.5618 -4.9063 -4.9063 -4.6576 -4.6576 -4.5839 -4.5839 -4.3992 -4.3992 -3.4298 -3.4298 -3.4215 -3.4215 -1.0965 -1.0965 -0.7374 -0.7374 -0.1630 -0.1630 0.0013 0.0013 0.0454 0.0454 0.6570 0.6570 0.7733 0.7733 1.3835 1.3835 1.5296 1.5296 1.5391 1.5391 1.8145 1.8145 1.8184 1.8184 2.2546 2.2546 2.4869 2.4869 2.5078 2.5078 2.5106 2.5106 2.5438 2.5438 3.2471 3.2471 3.2563 3.2563 3.5974 3.5974 3.5986 3.5986 7.4605 7.4605 8.7651 8.7651 8.9169 8.9169 9.6102 9.6102 10.7622 10.7622 10.8816 10.8816 11.8863 11.8863 12.0442 12.0492 k = 0.3333 0.5774 0.2670 ( 8505 PWs) bands (ev): -20.7717 -20.7717 -20.7717 -20.7717 -13.8541 -13.8541 -13.8537 -13.8537 -13.3421 -13.3421 -13.2164 -13.2164 -12.7931 -12.7931 -12.7713 -12.7713 -12.2613 -12.2613 -5.5861 -5.5861 -5.5616 -5.5616 -4.9060 -4.9060 -4.6576 -4.6576 -4.5841 -4.5841 -4.3993 -4.3993 -3.4296 -3.4296 -3.4212 -3.4212 -1.0972 -1.0972 -0.7330 -0.7330 -0.1685 -0.1685 -0.0043 -0.0043 0.0398 0.0398 0.6592 0.6592 0.7756 0.7756 1.3887 1.3887 1.5362 1.5362 1.5457 1.5457 1.8119 1.8119 1.8158 1.8158 2.2503 2.2503 2.4856 2.4856 2.5073 2.5073 2.5100 2.5100 2.5447 2.5447 3.2465 3.2465 3.2558 3.2558 3.5980 3.5980 3.5992 3.5992 7.4736 7.4736 8.7623 8.7623 8.9139 8.9139 9.5787 9.5787 10.7504 10.7504 10.8694 10.8694 11.9091 11.9091 12.0473 12.0673 k = 0.3333 0.5774 0.2848 ( 8511 PWs) bands (ev): -20.7717 -20.7717 -20.7717 -20.7717 -13.8541 -13.8541 -13.8538 -13.8538 -13.3410 -13.3410 -13.2177 -13.2177 -12.7931 -12.7931 -12.7713 -12.7713 -12.2610 -12.2610 -5.5861 -5.5861 -5.5615 -5.5615 -4.9058 -4.9058 -4.6576 -4.6576 -4.5842 -4.5842 -4.3994 -4.3994 -3.4294 -3.4294 -3.4210 -3.4210 -1.0978 -1.0978 -0.7294 -0.7294 -0.1730 -0.1730 -0.0088 -0.0088 0.0354 0.0354 0.6610 0.6610 0.7775 0.7775 1.3930 1.3930 1.5416 1.5416 1.5512 1.5512 1.8098 1.8098 1.8136 1.8136 2.2468 2.2468 2.4846 2.4846 2.5070 2.5070 2.5096 2.5096 2.5455 2.5455 3.2459 3.2459 3.2554 3.2554 3.5984 3.5984 3.5996 3.5996 7.4844 7.4844 8.7601 8.7601 8.9115 8.9115 9.5535 9.5535 10.7411 10.7411 10.8598 10.8598 11.9266 11.9266 12.0480 12.0494 k = 0.3333 0.5774 0.3026 ( 8505 PWs) bands (ev): -20.7717 -20.7717 -20.7717 -20.7717 -13.8541 -13.8541 -13.8538 -13.8538 -13.3401 -13.3401 -13.2187 -13.2187 -12.7931 -12.7931 -12.7713 -12.7713 -12.2608 -12.2608 -5.5861 -5.5861 -5.5614 -5.5614 -4.9056 -4.9056 -4.6576 -4.6576 -4.5843 -4.5843 -4.3995 -4.3995 -3.4292 -3.4292 -3.4208 -3.4208 -1.0982 -1.0982 -0.7267 -0.7267 -0.1763 -0.1763 -0.0120 -0.0120 0.0321 0.0321 0.6623 0.6623 0.7788 0.7788 1.3962 1.3962 1.5457 1.5457 1.5553 1.5553 1.8082 1.8082 1.8119 1.8119 2.2442 2.2442 2.4838 2.4838 2.5067 2.5067 2.5093 2.5093 2.5460 2.5460 3.2456 3.2456 3.2551 3.2551 3.5988 3.5988 3.5999 3.5999 7.4925 7.4925 8.7585 8.7585 8.9097 8.9097 9.5351 9.5351 10.7344 10.7344 10.8528 10.8528 11.9391 11.9391 12.0492 12.0516 k = 0.3333 0.5774 0.3204 ( 8496 PWs) bands (ev): -20.7717 -20.7717 -20.7717 -20.7717 -13.8541 -13.8541 -13.8538 -13.8538 -13.3396 -13.3396 -13.2193 -13.2193 -12.7931 -12.7931 -12.7713 -12.7713 -12.2607 -12.2607 -5.5861 -5.5861 -5.5613 -5.5613 -4.9055 -4.9055 -4.6576 -4.6576 -4.5844 -4.5844 -4.3995 -4.3995 -3.4291 -3.4291 -3.4207 -3.4207 -1.0984 -1.0984 -0.7250 -0.7250 -0.1783 -0.1783 -0.0140 -0.0140 0.0302 0.0302 0.6631 0.6631 0.7797 0.7797 1.3981 1.3981 1.5482 1.5482 1.5578 1.5578 1.8071 1.8071 1.8109 1.8109 2.2426 2.2426 2.4834 2.4834 2.5066 2.5066 2.5091 2.5091 2.5463 2.5463 3.2453 3.2453 3.2549 3.2549 3.5990 3.5990 3.6001 3.6001 7.4975 7.4975 8.7575 8.7575 8.9086 8.9086 9.5239 9.5239 10.7303 10.7303 10.8487 10.8487 11.9465 11.9465 12.0504 12.0528 k = 0.3333 0.5774 0.3382 ( 8490 PWs) bands (ev): -20.7717 -20.7717 -20.7717 -20.7717 -13.8541 -13.8541 -13.8538 -13.8538 -13.3395 -13.3395 -13.2195 -13.2195 -12.7931 -12.7931 -12.7713 -12.7713 -12.2607 -12.2607 -5.5861 -5.5861 -5.5613 -5.5613 -4.9055 -4.9055 -4.6576 -4.6576 -4.5844 -4.5844 -4.3995 -4.3995 -3.4291 -3.4291 -3.4207 -3.4207 -1.0985 -1.0985 -0.7245 -0.7245 -0.1790 -0.1790 -0.0146 -0.0146 0.0295 0.0295 0.6634 0.6634 0.7799 0.7799 1.3988 1.3988 1.5490 1.5490 1.5587 1.5587 1.8068 1.8068 1.8105 1.8105 2.2421 2.2421 2.4832 2.4832 2.5065 2.5065 2.5090 2.5090 2.5465 2.5465 3.2453 3.2453 3.2548 3.2548 3.5991 3.5991 3.6001 3.6001 7.4991 7.4991 8.7571 8.7571 8.9082 8.9082 9.5201 9.5201 10.7290 10.7290 10.8473 10.8473 11.9490 11.9490 12.0503 12.0519 Writing output data file Rb2Al2Sb2O7.save init_run : 1.05s CPU 1.24s WALL ( 1 calls) electrons : 735.88s CPU 743.49s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.04s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 735.88s CPU 743.48s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.20s CPU 0.30s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.11s CPU 0.19s WALL ( 246 calls) cegterg : 705.42s CPU 711.99s WALL ( 1044 calls) Called by sum_band: Called by *egterg: h_psi : 298.98s CPU 301.93s WALL ( 20253 calls) s_psi : 34.46s CPU 34.47s WALL ( 20253 calls) g_psi : 0.99s CPU 1.04s WALL ( 18963 calls) cdiaghg : 284.97s CPU 287.96s WALL ( 19209 calls) cegterg:over : 37.36s CPU 37.55s WALL ( 18963 calls) cegterg:upda : 40.58s CPU 41.22s WALL ( 18963 calls) cegterg:last : 15.38s CPU 15.35s WALL ( 1782 calls) cdiaghg:chol : 16.52s CPU 16.88s WALL ( 19209 calls) cdiaghg:inve : 12.36s CPU 12.46s WALL ( 19209 calls) cdiaghg:para : 21.67s CPU 21.68s WALL ( 38418 calls) Called by h_psi: h_psi:vloc : 218.61s CPU 221.81s WALL ( 20253 calls) h_psi:vnl : 79.05s CPU 78.80s WALL ( 20253 calls) add_vuspsi : 40.96s CPU 40.67s WALL ( 20253 calls) General routines calbec : 38.02s CPU 38.08s WALL ( 20253 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 200.21s CPU 202.76s WALL ( 1795476 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.26s CPU 0.57s WALL ( 492 calls) Parallel routines fft_scatter : 72.00s CPU 72.91s WALL ( 1795499 calls) PWSCF : 12m49.82s CPU 13m13.24s WALL This run was terminated on: 19:29:59 27Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=