Program PWSCF v.5.3.0 (svn rev. 11974) starts on 1Feb2017 at 0:25:22 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 72 processors R & G space division: proc/nbgrp/npool/nimage = 72 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./KHgSb.save/ file K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized file Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S renormalized file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 32 13 3 2716 713 103 Max 33 14 4 2729 736 118 Sum 2347 955 283 196043 52107 8089 bravais-lattice index = 14 lattice parameter (alat) = 9.0404 a.u. unit-cell volume = 1367.6432 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 52.00 number of Kohn-Sham states= 62 kinetic-energy cutoff = 43.0000 Ry charge density cutoff = 416.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.040449 celldm(2)= 1.000000 celldm(3)= 2.137333 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 2.137333 ) 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 0.467873 ) PseudoPot. # 1 for K read from file: /users/gautes/Pseudo/K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3dd1b7807415f540a701f2a402ca1bb0 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1165 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Hg read from file: /users/gautes/Pseudo/Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: a7fd98bfb2640362c6e2ed76594f1960 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1279 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 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 atomic species valence mass pseudopotential K 9.00 39.09830 K( 1.00) Hg 12.00 200.59000 Hg( 1.00) Sb 5.00 121.76000 Sb( 1.00) 12 Sym. Ops., with inversion, found (note: 12 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) 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= 265 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037736 k( 2) = ( 0.0131579 0.0075967 -0.0000000), wk = 0.0037736 k( 3) = ( 0.0263158 0.0151934 -0.0000000), wk = 0.0037736 k( 4) = ( 0.0394737 0.0227901 -0.0000000), wk = 0.0037736 k( 5) = ( 0.0526316 0.0303869 -0.0000000), wk = 0.0037736 k( 6) = ( 0.0657895 0.0379836 -0.0000000), wk = 0.0037736 k( 7) = ( 0.0789474 0.0455803 -0.0000000), wk = 0.0037736 k( 8) = ( 0.0921053 0.0531770 -0.0000000), wk = 0.0037736 k( 9) = ( 0.1052632 0.0607737 -0.0000000), wk = 0.0037736 k( 10) = ( 0.1184210 0.0683704 -0.0000000), wk = 0.0037736 k( 11) = ( 0.1315790 0.0759671 -0.0000000), wk = 0.0037736 k( 12) = ( 0.1447368 0.0835639 -0.0000000), wk = 0.0037736 k( 13) = ( 0.1578947 0.0911606 -0.0000000), wk = 0.0037736 k( 14) = ( 0.1710526 0.0987573 -0.0000000), wk = 0.0037736 k( 15) = ( 0.1842105 0.1063540 -0.0000000), wk = 0.0037736 k( 16) = ( 0.1973684 0.1139507 -0.0000000), wk = 0.0037736 k( 17) = ( 0.2105263 0.1215474 -0.0000000), wk = 0.0037736 k( 18) = ( 0.2236842 0.1291441 -0.0000000), wk = 0.0037736 k( 19) = ( 0.2368421 0.1367409 -0.0000000), wk = 0.0037736 k( 20) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0037736 k( 21) = ( 0.2631579 0.1519343 -0.0000000), wk = 0.0037736 k( 22) = ( 0.2763158 0.1595310 -0.0000000), wk = 0.0037736 k( 23) = ( 0.2894737 0.1671277 -0.0000000), wk = 0.0037736 k( 24) = ( 0.3026316 0.1747244 -0.0000000), wk = 0.0037736 k( 25) = ( 0.3157895 0.1823211 -0.0000000), wk = 0.0037736 k( 26) = ( 0.3289474 0.1899179 -0.0000000), wk = 0.0037736 k( 27) = ( 0.3421053 0.1975146 -0.0000000), wk = 0.0037736 k( 28) = ( 0.3552632 0.2051113 -0.0000000), wk = 0.0037736 k( 29) = ( 0.3684211 0.2127080 -0.0000000), wk = 0.0037736 k( 30) = ( 0.3815789 0.2203047 -0.0000000), wk = 0.0037736 k( 31) = ( 0.3947368 0.2279014 -0.0000000), wk = 0.0037736 k( 32) = ( 0.4078947 0.2354981 -0.0000000), wk = 0.0037736 k( 33) = ( 0.4210526 0.2430948 -0.0000000), wk = 0.0037736 k( 34) = ( 0.4342105 0.2506916 -0.0000000), wk = 0.0037736 k( 35) = ( 0.4473684 0.2582883 -0.0000000), wk = 0.0037736 k( 36) = ( 0.4605263 0.2658850 -0.0000000), wk = 0.0037736 k( 37) = ( 0.4736842 0.2734817 -0.0000000), wk = 0.0037736 k( 38) = ( 0.4868421 0.2810784 -0.0000000), wk = 0.0037736 k( 39) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0037736 k( 40) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0037736 k( 41) = ( 0.4924242 0.3017967 -0.0000000), wk = 0.0037736 k( 42) = ( 0.4848485 0.3149183 -0.0000000), wk = 0.0037736 k( 43) = ( 0.4772727 0.3280399 -0.0000000), wk = 0.0037736 k( 44) = ( 0.4696970 0.3411615 -0.0000000), wk = 0.0037736 k( 45) = ( 0.4621212 0.3542831 -0.0000000), wk = 0.0037736 k( 46) = ( 0.4545455 0.3674047 -0.0000000), wk = 0.0037736 k( 47) = ( 0.4469697 0.3805263 -0.0000000), wk = 0.0037736 k( 48) = ( 0.4393939 0.3936479 -0.0000000), wk = 0.0037736 k( 49) = ( 0.4318182 0.4067695 -0.0000000), wk = 0.0037736 k( 50) = ( 0.4242424 0.4198911 -0.0000000), wk = 0.0037736 k( 51) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0037736 k( 52) = ( 0.4090909 0.4461343 -0.0000000), wk = 0.0037736 k( 53) = ( 0.4015151 0.4592559 -0.0000000), wk = 0.0037736 k( 54) = ( 0.3939394 0.4723775 -0.0000000), wk = 0.0037736 k( 55) = ( 0.3863636 0.4854991 -0.0000000), wk = 0.0037736 k( 56) = ( 0.3787879 0.4986207 -0.0000000), wk = 0.0037736 k( 57) = ( 0.3712121 0.5117423 -0.0000000), wk = 0.0037736 k( 58) = ( 0.3636364 0.5248639 -0.0000000), wk = 0.0037736 k( 59) = ( 0.3560606 0.5379855 -0.0000000), wk = 0.0037736 k( 60) = ( 0.3484849 0.5511071 -0.0000000), wk = 0.0037736 k( 61) = ( 0.3409091 0.5642287 -0.0000000), wk = 0.0037736 k( 62) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0037736 k( 63) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0037736 k( 64) = ( 0.3257576 0.5642287 -0.0000000), wk = 0.0037736 k( 65) = ( 0.3181818 0.5511071 -0.0000000), wk = 0.0037736 k( 66) = ( 0.3106061 0.5379855 -0.0000000), wk = 0.0037736 k( 67) = ( 0.3030303 0.5248639 -0.0000000), wk = 0.0037736 k( 68) = ( 0.2954545 0.5117423 -0.0000000), wk = 0.0037736 k( 69) = ( 0.2878788 0.4986207 -0.0000000), wk = 0.0037736 k( 70) = ( 0.2803030 0.4854991 -0.0000000), wk = 0.0037736 k( 71) = ( 0.2727273 0.4723775 -0.0000000), wk = 0.0037736 k( 72) = ( 0.2651515 0.4592559 -0.0000000), wk = 0.0037736 k( 73) = ( 0.2575758 0.4461343 -0.0000000), wk = 0.0037736 k( 74) = ( 0.2500000 0.4330127 -0.0000000), wk = 0.0037736 k( 75) = ( 0.2424242 0.4198911 -0.0000000), wk = 0.0037736 k( 76) = ( 0.2348485 0.4067695 -0.0000000), wk = 0.0037736 k( 77) = ( 0.2272727 0.3936479 -0.0000000), wk = 0.0037736 k( 78) = ( 0.2196970 0.3805263 -0.0000000), wk = 0.0037736 k( 79) = ( 0.2121212 0.3674047 -0.0000000), wk = 0.0037736 k( 80) = ( 0.2045454 0.3542831 -0.0000000), wk = 0.0037736 k( 81) = ( 0.1969697 0.3411615 -0.0000000), wk = 0.0037736 k( 82) = ( 0.1893939 0.3280399 -0.0000000), wk = 0.0037736 k( 83) = ( 0.1818182 0.3149183 -0.0000000), wk = 0.0037736 k( 84) = ( 0.1742424 0.3017967 -0.0000000), wk = 0.0037736 k( 85) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0037736 k( 86) = ( 0.1590909 0.2755535 -0.0000000), wk = 0.0037736 k( 87) = ( 0.1515151 0.2624319 -0.0000000), wk = 0.0037736 k( 88) = ( 0.1439394 0.2493103 -0.0000000), wk = 0.0037736 k( 89) = ( 0.1363636 0.2361888 -0.0000000), wk = 0.0037736 k( 90) = ( 0.1287879 0.2230672 -0.0000000), wk = 0.0037736 k( 91) = ( 0.1212121 0.2099456 -0.0000000), wk = 0.0037736 k( 92) = ( 0.1136364 0.1968239 -0.0000000), wk = 0.0037736 k( 93) = ( 0.1060606 0.1837024 -0.0000000), wk = 0.0037736 k( 94) = ( 0.0984848 0.1705808 -0.0000000), wk = 0.0037736 k( 95) = ( 0.0909091 0.1574592 -0.0000000), wk = 0.0037736 k( 96) = ( 0.0833333 0.1443376 -0.0000000), wk = 0.0037736 k( 97) = ( 0.0757576 0.1312160 -0.0000000), wk = 0.0037736 k( 98) = ( 0.0681818 0.1180944 -0.0000000), wk = 0.0037736 k( 99) = ( 0.0606061 0.1049728 -0.0000000), wk = 0.0037736 k( 100) = ( 0.0530303 0.0918512 -0.0000000), wk = 0.0037736 k( 101) = ( 0.0454546 0.0787296 -0.0000000), wk = 0.0037736 k( 102) = ( 0.0378788 0.0656080 -0.0000000), wk = 0.0037736 k( 103) = ( 0.0303030 0.0524864 -0.0000000), wk = 0.0037736 k( 104) = ( 0.0227273 0.0393648 -0.0000000), wk = 0.0037736 k( 105) = ( 0.0151515 0.0262432 -0.0000000), wk = 0.0037736 k( 106) = ( 0.0075758 0.0131216 -0.0000000), wk = 0.0037736 k( 107) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037736 k( 108) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037736 k( 109) = ( 0.0000000 0.0000000 0.0146210), wk = 0.0037736 k( 110) = ( 0.0000000 0.0000000 0.0292421), wk = 0.0037736 k( 111) = ( 0.0000000 0.0000000 0.0438631), wk = 0.0037736 k( 112) = ( 0.0000000 0.0000000 0.0584841), wk = 0.0037736 k( 113) = ( 0.0000000 0.0000000 0.0731051), wk = 0.0037736 k( 114) = ( 0.0000000 0.0000000 0.0877262), wk = 0.0037736 k( 115) = ( 0.0000000 0.0000000 0.1023472), wk = 0.0037736 k( 116) = ( 0.0000000 0.0000000 0.1169682), wk = 0.0037736 k( 117) = ( 0.0000000 0.0000000 0.1315892), wk = 0.0037736 k( 118) = ( 0.0000000 0.0000000 0.1462103), wk = 0.0037736 k( 119) = ( 0.0000000 0.0000000 0.1608313), wk = 0.0037736 k( 120) = ( 0.0000000 0.0000000 0.1754523), wk = 0.0037736 k( 121) = ( 0.0000000 0.0000000 0.1900733), wk = 0.0037736 k( 122) = ( 0.0000000 0.0000000 0.2046944), wk = 0.0037736 k( 123) = ( 0.0000000 0.0000000 0.2193154), wk = 0.0037736 k( 124) = ( 0.0000000 0.0000000 0.2339364), wk = 0.0037736 k( 125) = ( 0.0000000 0.0000000 0.2339364), wk = 0.0037736 k( 126) = ( 0.0131579 0.0075967 0.2339364), wk = 0.0037736 k( 127) = ( 0.0263158 0.0151934 0.2339364), wk = 0.0037736 k( 128) = ( 0.0394737 0.0227901 0.2339364), wk = 0.0037736 k( 129) = ( 0.0526316 0.0303869 0.2339364), wk = 0.0037736 k( 130) = ( 0.0657895 0.0379836 0.2339364), wk = 0.0037736 k( 131) = ( 0.0789474 0.0455803 0.2339364), wk = 0.0037736 k( 132) = ( 0.0921053 0.0531770 0.2339364), wk = 0.0037736 k( 133) = ( 0.1052632 0.0607737 0.2339364), wk = 0.0037736 k( 134) = ( 0.1184210 0.0683704 0.2339364), wk = 0.0037736 k( 135) = ( 0.1315790 0.0759671 0.2339364), wk = 0.0037736 k( 136) = ( 0.1447368 0.0835639 0.2339364), wk = 0.0037736 k( 137) = ( 0.1578947 0.0911606 0.2339364), wk = 0.0037736 k( 138) = ( 0.1710526 0.0987573 0.2339364), wk = 0.0037736 k( 139) = ( 0.1842105 0.1063540 0.2339364), wk = 0.0037736 k( 140) = ( 0.1973684 0.1139507 0.2339364), wk = 0.0037736 k( 141) = ( 0.2105263 0.1215474 0.2339364), wk = 0.0037736 k( 142) = ( 0.2236842 0.1291441 0.2339364), wk = 0.0037736 k( 143) = ( 0.2368421 0.1367409 0.2339364), wk = 0.0037736 k( 144) = ( 0.2500000 0.1443376 0.2339364), wk = 0.0037736 k( 145) = ( 0.2631579 0.1519343 0.2339364), wk = 0.0037736 k( 146) = ( 0.2763158 0.1595310 0.2339364), wk = 0.0037736 k( 147) = ( 0.2894737 0.1671277 0.2339364), wk = 0.0037736 k( 148) = ( 0.3026316 0.1747244 0.2339364), wk = 0.0037736 k( 149) = ( 0.3157895 0.1823211 0.2339364), wk = 0.0037736 k( 150) = ( 0.3289474 0.1899179 0.2339364), wk = 0.0037736 k( 151) = ( 0.3421053 0.1975146 0.2339364), wk = 0.0037736 k( 152) = ( 0.3552632 0.2051113 0.2339364), wk = 0.0037736 k( 153) = ( 0.3684211 0.2127080 0.2339364), wk = 0.0037736 k( 154) = ( 0.3815789 0.2203047 0.2339364), wk = 0.0037736 k( 155) = ( 0.3947368 0.2279014 0.2339364), wk = 0.0037736 k( 156) = ( 0.4078947 0.2354981 0.2339364), wk = 0.0037736 k( 157) = ( 0.4210526 0.2430948 0.2339364), wk = 0.0037736 k( 158) = ( 0.4342105 0.2506916 0.2339364), wk = 0.0037736 k( 159) = ( 0.4473684 0.2582883 0.2339364), wk = 0.0037736 k( 160) = ( 0.4605263 0.2658850 0.2339364), wk = 0.0037736 k( 161) = ( 0.4736842 0.2734817 0.2339364), wk = 0.0037736 k( 162) = ( 0.4868421 0.2810784 0.2339364), wk = 0.0037736 k( 163) = ( 0.5000000 0.2886751 0.2339364), wk = 0.0037736 k( 164) = ( 0.5000000 0.2886751 0.2339364), wk = 0.0037736 k( 165) = ( 0.4924242 0.3017967 0.2339364), wk = 0.0037736 k( 166) = ( 0.4848485 0.3149183 0.2339364), wk = 0.0037736 k( 167) = ( 0.4772727 0.3280399 0.2339364), wk = 0.0037736 k( 168) = ( 0.4696970 0.3411615 0.2339364), wk = 0.0037736 k( 169) = ( 0.4621212 0.3542831 0.2339364), wk = 0.0037736 k( 170) = ( 0.4545455 0.3674047 0.2339364), wk = 0.0037736 k( 171) = ( 0.4469697 0.3805263 0.2339364), wk = 0.0037736 k( 172) = ( 0.4393939 0.3936479 0.2339364), wk = 0.0037736 k( 173) = ( 0.4318182 0.4067695 0.2339364), wk = 0.0037736 k( 174) = ( 0.4242424 0.4198911 0.2339364), wk = 0.0037736 k( 175) = ( 0.4166667 0.4330127 0.2339364), wk = 0.0037736 k( 176) = ( 0.4090909 0.4461343 0.2339364), wk = 0.0037736 k( 177) = ( 0.4015151 0.4592559 0.2339364), wk = 0.0037736 k( 178) = ( 0.3939394 0.4723775 0.2339364), wk = 0.0037736 k( 179) = ( 0.3863636 0.4854991 0.2339364), wk = 0.0037736 k( 180) = ( 0.3787879 0.4986207 0.2339364), wk = 0.0037736 k( 181) = ( 0.3712121 0.5117423 0.2339364), wk = 0.0037736 k( 182) = ( 0.3636364 0.5248639 0.2339364), wk = 0.0037736 k( 183) = ( 0.3560606 0.5379855 0.2339364), wk = 0.0037736 k( 184) = ( 0.3484849 0.5511071 0.2339364), wk = 0.0037736 k( 185) = ( 0.3409091 0.5642287 0.2339364), wk = 0.0037736 k( 186) = ( 0.3333333 0.5773503 0.2339364), wk = 0.0037736 k( 187) = ( 0.3333333 0.5773503 0.2339364), wk = 0.0037736 k( 188) = ( 0.3257576 0.5642287 0.2339364), wk = 0.0037736 k( 189) = ( 0.3181818 0.5511071 0.2339364), wk = 0.0037736 k( 190) = ( 0.3106061 0.5379855 0.2339364), wk = 0.0037736 k( 191) = ( 0.3030303 0.5248639 0.2339364), wk = 0.0037736 k( 192) = ( 0.2954545 0.5117423 0.2339364), wk = 0.0037736 k( 193) = ( 0.2878788 0.4986207 0.2339364), wk = 0.0037736 k( 194) = ( 0.2803030 0.4854991 0.2339364), wk = 0.0037736 k( 195) = ( 0.2727273 0.4723775 0.2339364), wk = 0.0037736 k( 196) = ( 0.2651515 0.4592559 0.2339364), wk = 0.0037736 k( 197) = ( 0.2575758 0.4461343 0.2339364), wk = 0.0037736 k( 198) = ( 0.2500000 0.4330127 0.2339364), wk = 0.0037736 k( 199) = ( 0.2424242 0.4198911 0.2339364), wk = 0.0037736 k( 200) = ( 0.2348485 0.4067695 0.2339364), wk = 0.0037736 k( 201) = ( 0.2272727 0.3936479 0.2339364), wk = 0.0037736 k( 202) = ( 0.2196970 0.3805263 0.2339364), wk = 0.0037736 k( 203) = ( 0.2121212 0.3674047 0.2339364), wk = 0.0037736 k( 204) = ( 0.2045454 0.3542831 0.2339364), wk = 0.0037736 k( 205) = ( 0.1969697 0.3411615 0.2339364), wk = 0.0037736 k( 206) = ( 0.1893939 0.3280399 0.2339364), wk = 0.0037736 k( 207) = ( 0.1818182 0.3149183 0.2339364), wk = 0.0037736 k( 208) = ( 0.1742424 0.3017967 0.2339364), wk = 0.0037736 k( 209) = ( 0.1666667 0.2886751 0.2339364), wk = 0.0037736 k( 210) = ( 0.1590909 0.2755535 0.2339364), wk = 0.0037736 k( 211) = ( 0.1515151 0.2624319 0.2339364), wk = 0.0037736 k( 212) = ( 0.1439394 0.2493103 0.2339364), wk = 0.0037736 k( 213) = ( 0.1363636 0.2361888 0.2339364), wk = 0.0037736 k( 214) = ( 0.1287879 0.2230672 0.2339364), wk = 0.0037736 k( 215) = ( 0.1212121 0.2099456 0.2339364), wk = 0.0037736 k( 216) = ( 0.1136364 0.1968239 0.2339364), wk = 0.0037736 k( 217) = ( 0.1060606 0.1837024 0.2339364), wk = 0.0037736 k( 218) = ( 0.0984848 0.1705808 0.2339364), wk = 0.0037736 k( 219) = ( 0.0909091 0.1574592 0.2339364), wk = 0.0037736 k( 220) = ( 0.0833333 0.1443376 0.2339364), wk = 0.0037736 k( 221) = ( 0.0757576 0.1312160 0.2339364), wk = 0.0037736 k( 222) = ( 0.0681818 0.1180944 0.2339364), wk = 0.0037736 k( 223) = ( 0.0606061 0.1049728 0.2339364), wk = 0.0037736 k( 224) = ( 0.0530303 0.0918512 0.2339364), wk = 0.0037736 k( 225) = ( 0.0454546 0.0787296 0.2339364), wk = 0.0037736 k( 226) = ( 0.0378788 0.0656080 0.2339364), wk = 0.0037736 k( 227) = ( 0.0303030 0.0524864 0.2339364), wk = 0.0037736 k( 228) = ( 0.0227273 0.0393648 0.2339364), wk = 0.0037736 k( 229) = ( 0.0151515 0.0262432 0.2339364), wk = 0.0037736 k( 230) = ( 0.0075758 0.0131216 0.2339364), wk = 0.0037736 k( 231) = ( 0.0000000 0.0000000 0.2339364), wk = 0.0037736 k( 232) = ( 0.5000000 0.2886751 0.2339364), wk = 0.0037736 k( 233) = ( 0.5000000 0.2886751 0.2193154), wk = 0.0037736 k( 234) = ( 0.5000000 0.2886751 0.2046944), wk = 0.0037736 k( 235) = ( 0.5000000 0.2886751 0.1900733), wk = 0.0037736 k( 236) = ( 0.5000000 0.2886751 0.1754523), wk = 0.0037736 k( 237) = ( 0.5000000 0.2886751 0.1608313), wk = 0.0037736 k( 238) = ( 0.5000000 0.2886751 0.1462103), wk = 0.0037736 k( 239) = ( 0.5000000 0.2886751 0.1315892), wk = 0.0037736 k( 240) = ( 0.5000000 0.2886751 0.1169682), wk = 0.0037736 k( 241) = ( 0.5000000 0.2886751 0.1023472), wk = 0.0037736 k( 242) = ( 0.5000000 0.2886751 0.0877262), wk = 0.0037736 k( 243) = ( 0.5000000 0.2886751 0.0731051), wk = 0.0037736 k( 244) = ( 0.5000000 0.2886751 0.0584841), wk = 0.0037736 k( 245) = ( 0.5000000 0.2886751 0.0438631), wk = 0.0037736 k( 246) = ( 0.5000000 0.2886751 0.0292421), wk = 0.0037736 k( 247) = ( 0.5000000 0.2886751 0.0146210), wk = 0.0037736 k( 248) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0037736 k( 249) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0037736 k( 250) = ( 0.3333333 0.5773503 0.0146210), wk = 0.0037736 k( 251) = ( 0.3333333 0.5773503 0.0292421), wk = 0.0037736 k( 252) = ( 0.3333333 0.5773503 0.0438631), wk = 0.0037736 k( 253) = ( 0.3333333 0.5773503 0.0584841), wk = 0.0037736 k( 254) = ( 0.3333333 0.5773503 0.0731051), wk = 0.0037736 k( 255) = ( 0.3333333 0.5773503 0.0877262), wk = 0.0037736 k( 256) = ( 0.3333333 0.5773503 0.1023472), wk = 0.0037736 k( 257) = ( 0.3333333 0.5773503 0.1169682), wk = 0.0037736 k( 258) = ( 0.3333333 0.5773503 0.1315892), wk = 0.0037736 k( 259) = ( 0.3333333 0.5773503 0.1462103), wk = 0.0037736 k( 260) = ( 0.3333333 0.5773503 0.1608313), wk = 0.0037736 k( 261) = ( 0.3333333 0.5773503 0.1754523), wk = 0.0037736 k( 262) = ( 0.3333333 0.5773503 0.1900733), wk = 0.0037736 k( 263) = ( 0.3333333 0.5773503 0.2046944), wk = 0.0037736 k( 264) = ( 0.3333333 0.5773503 0.2193154), wk = 0.0037736 k( 265) = ( 0.3333333 0.5773503 0.2339364), wk = 0.0037736 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037736 k( 2) = ( 0.0131579 -0.0000000 0.0000000), wk = 0.0037736 k( 3) = ( 0.0263158 -0.0000000 0.0000000), wk = 0.0037736 k( 4) = ( 0.0394737 -0.0000000 0.0000000), wk = 0.0037736 k( 5) = ( 0.0526316 -0.0000000 0.0000000), wk = 0.0037736 k( 6) = ( 0.0657895 -0.0000000 0.0000000), wk = 0.0037736 k( 7) = ( 0.0789474 -0.0000000 -0.0000000), wk = 0.0037736 k( 8) = ( 0.0921053 -0.0000000 0.0000000), wk = 0.0037736 k( 9) = ( 0.1052632 -0.0000000 0.0000000), wk = 0.0037736 k( 10) = ( 0.1184210 -0.0000000 0.0000000), wk = 0.0037736 k( 11) = ( 0.1315790 -0.0000000 0.0000000), wk = 0.0037736 k( 12) = ( 0.1447368 -0.0000000 -0.0000000), wk = 0.0037736 k( 13) = ( 0.1578947 -0.0000000 -0.0000000), wk = 0.0037736 k( 14) = ( 0.1710526 -0.0000000 0.0000000), wk = 0.0037736 k( 15) = ( 0.1842105 -0.0000000 0.0000000), wk = 0.0037736 k( 16) = ( 0.1973684 -0.0000000 0.0000000), wk = 0.0037736 k( 17) = ( 0.2105263 -0.0000000 0.0000000), wk = 0.0037736 k( 18) = ( 0.2236842 0.0000000 0.0000000), wk = 0.0037736 k( 19) = ( 0.2368421 -0.0000000 0.0000000), wk = 0.0037736 k( 20) = ( 0.2500000 -0.0000000 0.0000000), wk = 0.0037736 k( 21) = ( 0.2631579 -0.0000000 0.0000000), wk = 0.0037736 k( 22) = ( 0.2763158 -0.0000000 -0.0000000), wk = 0.0037736 k( 23) = ( 0.2894737 -0.0000000 -0.0000000), wk = 0.0037736 k( 24) = ( 0.3026316 0.0000000 0.0000000), wk = 0.0037736 k( 25) = ( 0.3157895 -0.0000000 0.0000000), wk = 0.0037736 k( 26) = ( 0.3289474 -0.0000000 0.0000000), wk = 0.0037736 k( 27) = ( 0.3421053 -0.0000000 0.0000000), wk = 0.0037736 k( 28) = ( 0.3552632 -0.0000000 0.0000000), wk = 0.0037736 k( 29) = ( 0.3684211 -0.0000000 0.0000000), wk = 0.0037736 k( 30) = ( 0.3815789 -0.0000000 0.0000000), wk = 0.0037736 k( 31) = ( 0.3947368 -0.0000000 0.0000000), wk = 0.0037736 k( 32) = ( 0.4078947 0.0000000 0.0000000), wk = 0.0037736 k( 33) = ( 0.4210526 0.0000000 0.0000000), wk = 0.0037736 k( 34) = ( 0.4342105 -0.0000000 0.0000000), wk = 0.0037736 k( 35) = ( 0.4473684 0.0000000 0.0000000), wk = 0.0037736 k( 36) = ( 0.4605263 -0.0000000 0.0000000), wk = 0.0037736 k( 37) = ( 0.4736842 -0.0000000 -0.0000000), wk = 0.0037736 k( 38) = ( 0.4868421 -0.0000000 0.0000000), wk = 0.0037736 k( 39) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0037736 k( 40) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0037736 k( 41) = ( 0.4924242 0.0151515 0.0000000), wk = 0.0037736 k( 42) = ( 0.4848485 0.0303030 0.0000000), wk = 0.0037736 k( 43) = ( 0.4772727 0.0454545 0.0000000), wk = 0.0037736 k( 44) = ( 0.4696970 0.0606061 0.0000000), wk = 0.0037736 k( 45) = ( 0.4621212 0.0757576 0.0000000), wk = 0.0037736 k( 46) = ( 0.4545455 0.0909091 -0.0000000), wk = 0.0037736 k( 47) = ( 0.4469697 0.1060606 -0.0000000), wk = 0.0037736 k( 48) = ( 0.4393939 0.1212121 0.0000000), wk = 0.0037736 k( 49) = ( 0.4318182 0.1363636 0.0000000), wk = 0.0037736 k( 50) = ( 0.4242424 0.1515151 -0.0000000), wk = 0.0037736 k( 51) = ( 0.4166667 0.1666667 0.0000000), wk = 0.0037736 k( 52) = ( 0.4090909 0.1818182 0.0000000), wk = 0.0037736 k( 53) = ( 0.4015151 0.1969697 0.0000000), wk = 0.0037736 k( 54) = ( 0.3939394 0.2121212 0.0000000), wk = 0.0037736 k( 55) = ( 0.3863636 0.2272727 -0.0000000), wk = 0.0037736 k( 56) = ( 0.3787879 0.2424242 -0.0000000), wk = 0.0037736 k( 57) = ( 0.3712121 0.2575758 0.0000000), wk = 0.0037736 k( 58) = ( 0.3636364 0.2727273 -0.0000000), wk = 0.0037736 k( 59) = ( 0.3560606 0.2878788 0.0000000), wk = 0.0037736 k( 60) = ( 0.3484849 0.3030303 0.0000000), wk = 0.0037736 k( 61) = ( 0.3409091 0.3181818 0.0000000), wk = 0.0037736 k( 62) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0037736 k( 63) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0037736 k( 64) = ( 0.3257576 0.3257576 0.0000000), wk = 0.0037736 k( 65) = ( 0.3181818 0.3181818 0.0000000), wk = 0.0037736 k( 66) = ( 0.3106061 0.3106061 -0.0000000), wk = 0.0037736 k( 67) = ( 0.3030303 0.3030303 0.0000000), wk = 0.0037736 k( 68) = ( 0.2954545 0.2954545 -0.0000000), wk = 0.0037736 k( 69) = ( 0.2878788 0.2878788 0.0000000), wk = 0.0037736 k( 70) = ( 0.2803030 0.2803030 0.0000000), wk = 0.0037736 k( 71) = ( 0.2727273 0.2727273 0.0000000), wk = 0.0037736 k( 72) = ( 0.2651515 0.2651515 0.0000000), wk = 0.0037736 k( 73) = ( 0.2575758 0.2575758 -0.0000000), wk = 0.0037736 k( 74) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0037736 k( 75) = ( 0.2424242 0.2424242 0.0000000), wk = 0.0037736 k( 76) = ( 0.2348485 0.2348485 0.0000000), wk = 0.0037736 k( 77) = ( 0.2272727 0.2272727 0.0000000), wk = 0.0037736 k( 78) = ( 0.2196970 0.2196970 0.0000000), wk = 0.0037736 k( 79) = ( 0.2121212 0.2121212 0.0000000), wk = 0.0037736 k( 80) = ( 0.2045454 0.2045454 -0.0000000), wk = 0.0037736 k( 81) = ( 0.1969697 0.1969697 0.0000000), wk = 0.0037736 k( 82) = ( 0.1893939 0.1893939 0.0000000), wk = 0.0037736 k( 83) = ( 0.1818182 0.1818182 -0.0000000), wk = 0.0037736 k( 84) = ( 0.1742424 0.1742424 0.0000000), wk = 0.0037736 k( 85) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0037736 k( 86) = ( 0.1590909 0.1590909 0.0000000), wk = 0.0037736 k( 87) = ( 0.1515151 0.1515151 0.0000000), wk = 0.0037736 k( 88) = ( 0.1439394 0.1439394 0.0000000), wk = 0.0037736 k( 89) = ( 0.1363636 0.1363636 0.0000000), wk = 0.0037736 k( 90) = ( 0.1287879 0.1287879 -0.0000000), wk = 0.0037736 k( 91) = ( 0.1212121 0.1212121 0.0000000), wk = 0.0037736 k( 92) = ( 0.1136364 0.1136364 0.0000000), wk = 0.0037736 k( 93) = ( 0.1060606 0.1060606 -0.0000000), wk = 0.0037736 k( 94) = ( 0.0984848 0.0984848 0.0000000), wk = 0.0037736 k( 95) = ( 0.0909091 0.0909091 -0.0000000), wk = 0.0037736 k( 96) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0037736 k( 97) = ( 0.0757576 0.0757576 0.0000000), wk = 0.0037736 k( 98) = ( 0.0681818 0.0681818 0.0000000), wk = 0.0037736 k( 99) = ( 0.0606061 0.0606061 0.0000000), wk = 0.0037736 k( 100) = ( 0.0530303 0.0530303 0.0000000), wk = 0.0037736 k( 101) = ( 0.0454546 0.0454545 0.0000000), wk = 0.0037736 k( 102) = ( 0.0378788 0.0378788 0.0000000), wk = 0.0037736 k( 103) = ( 0.0303030 0.0303030 0.0000000), wk = 0.0037736 k( 104) = ( 0.0227273 0.0227273 0.0000000), wk = 0.0037736 k( 105) = ( 0.0151515 0.0151515 -0.0000000), wk = 0.0037736 k( 106) = ( 0.0075758 0.0075758 -0.0000000), wk = 0.0037736 k( 107) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037736 k( 108) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037736 k( 109) = ( 0.0000000 0.0000000 0.0312500), wk = 0.0037736 k( 110) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0037736 k( 111) = ( 0.0000000 0.0000000 0.0937500), wk = 0.0037736 k( 112) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0037736 k( 113) = ( 0.0000000 0.0000000 0.1562500), wk = 0.0037736 k( 114) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0037736 k( 115) = ( 0.0000000 0.0000000 0.2187500), wk = 0.0037736 k( 116) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0037736 k( 117) = ( 0.0000000 0.0000000 0.2812500), wk = 0.0037736 k( 118) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0037736 k( 119) = ( 0.0000000 0.0000000 0.3437500), wk = 0.0037736 k( 120) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0037736 k( 121) = ( 0.0000000 0.0000000 0.4062500), wk = 0.0037736 k( 122) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0037736 k( 123) = ( 0.0000000 0.0000000 0.4687500), wk = 0.0037736 k( 124) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0037736 k( 125) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0037736 k( 126) = ( 0.0131579 -0.0000000 0.5000000), wk = 0.0037736 k( 127) = ( 0.0263158 -0.0000000 0.5000000), wk = 0.0037736 k( 128) = ( 0.0394737 -0.0000000 0.5000000), wk = 0.0037736 k( 129) = ( 0.0526316 -0.0000000 0.5000000), wk = 0.0037736 k( 130) = ( 0.0657895 -0.0000000 0.5000000), wk = 0.0037736 k( 131) = ( 0.0789474 -0.0000000 0.5000000), wk = 0.0037736 k( 132) = ( 0.0921053 -0.0000000 0.5000000), wk = 0.0037736 k( 133) = ( 0.1052632 -0.0000000 0.5000000), wk = 0.0037736 k( 134) = ( 0.1184210 -0.0000000 0.5000000), wk = 0.0037736 k( 135) = ( 0.1315790 -0.0000000 0.5000000), wk = 0.0037736 k( 136) = ( 0.1447368 -0.0000000 0.5000000), wk = 0.0037736 k( 137) = ( 0.1578947 -0.0000000 0.5000000), wk = 0.0037736 k( 138) = ( 0.1710526 -0.0000000 0.5000000), wk = 0.0037736 k( 139) = ( 0.1842105 -0.0000000 0.5000000), wk = 0.0037736 k( 140) = ( 0.1973684 -0.0000000 0.5000000), wk = 0.0037736 k( 141) = ( 0.2105263 -0.0000000 0.5000000), wk = 0.0037736 k( 142) = ( 0.2236842 0.0000000 0.5000000), wk = 0.0037736 k( 143) = ( 0.2368421 -0.0000000 0.5000000), wk = 0.0037736 k( 144) = ( 0.2500000 -0.0000000 0.5000000), wk = 0.0037736 k( 145) = ( 0.2631579 -0.0000000 0.5000000), wk = 0.0037736 k( 146) = ( 0.2763158 -0.0000000 0.5000000), wk = 0.0037736 k( 147) = ( 0.2894737 -0.0000000 0.5000000), wk = 0.0037736 k( 148) = ( 0.3026316 0.0000000 0.5000000), wk = 0.0037736 k( 149) = ( 0.3157895 -0.0000000 0.5000000), wk = 0.0037736 k( 150) = ( 0.3289474 -0.0000000 0.5000000), wk = 0.0037736 k( 151) = ( 0.3421053 -0.0000000 0.5000000), wk = 0.0037736 k( 152) = ( 0.3552632 -0.0000000 0.5000000), wk = 0.0037736 k( 153) = ( 0.3684211 -0.0000000 0.5000000), wk = 0.0037736 k( 154) = ( 0.3815789 -0.0000000 0.5000000), wk = 0.0037736 k( 155) = ( 0.3947368 -0.0000000 0.5000000), wk = 0.0037736 k( 156) = ( 0.4078947 0.0000000 0.5000000), wk = 0.0037736 k( 157) = ( 0.4210526 0.0000000 0.5000000), wk = 0.0037736 k( 158) = ( 0.4342105 -0.0000000 0.5000000), wk = 0.0037736 k( 159) = ( 0.4473684 0.0000000 0.5000000), wk = 0.0037736 k( 160) = ( 0.4605263 -0.0000000 0.5000000), wk = 0.0037736 k( 161) = ( 0.4736842 -0.0000000 0.5000000), wk = 0.0037736 k( 162) = ( 0.4868421 -0.0000000 0.5000000), wk = 0.0037736 k( 163) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0037736 k( 164) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0037736 k( 165) = ( 0.4924242 0.0151515 0.5000000), wk = 0.0037736 k( 166) = ( 0.4848485 0.0303030 0.5000000), wk = 0.0037736 k( 167) = ( 0.4772727 0.0454545 0.5000000), wk = 0.0037736 k( 168) = ( 0.4696970 0.0606061 0.5000000), wk = 0.0037736 k( 169) = ( 0.4621212 0.0757576 0.5000000), wk = 0.0037736 k( 170) = ( 0.4545455 0.0909091 0.5000000), wk = 0.0037736 k( 171) = ( 0.4469697 0.1060606 0.5000000), wk = 0.0037736 k( 172) = ( 0.4393939 0.1212121 0.5000000), wk = 0.0037736 k( 173) = ( 0.4318182 0.1363636 0.5000000), wk = 0.0037736 k( 174) = ( 0.4242424 0.1515151 0.5000000), wk = 0.0037736 k( 175) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0037736 k( 176) = ( 0.4090909 0.1818182 0.5000000), wk = 0.0037736 k( 177) = ( 0.4015151 0.1969697 0.5000000), wk = 0.0037736 k( 178) = ( 0.3939394 0.2121212 0.5000000), wk = 0.0037736 k( 179) = ( 0.3863636 0.2272727 0.5000000), wk = 0.0037736 k( 180) = ( 0.3787879 0.2424242 0.5000000), wk = 0.0037736 k( 181) = ( 0.3712121 0.2575758 0.5000000), wk = 0.0037736 k( 182) = ( 0.3636364 0.2727273 0.5000000), wk = 0.0037736 k( 183) = ( 0.3560606 0.2878788 0.5000000), wk = 0.0037736 k( 184) = ( 0.3484849 0.3030303 0.5000000), wk = 0.0037736 k( 185) = ( 0.3409091 0.3181818 0.5000000), wk = 0.0037736 k( 186) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0037736 k( 187) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0037736 k( 188) = ( 0.3257576 0.3257576 0.5000000), wk = 0.0037736 k( 189) = ( 0.3181818 0.3181818 0.5000000), wk = 0.0037736 k( 190) = ( 0.3106061 0.3106061 0.5000000), wk = 0.0037736 k( 191) = ( 0.3030303 0.3030303 0.5000000), wk = 0.0037736 k( 192) = ( 0.2954545 0.2954545 0.5000000), wk = 0.0037736 k( 193) = ( 0.2878788 0.2878788 0.5000000), wk = 0.0037736 k( 194) = ( 0.2803030 0.2803030 0.5000000), wk = 0.0037736 k( 195) = ( 0.2727273 0.2727273 0.5000000), wk = 0.0037736 k( 196) = ( 0.2651515 0.2651515 0.5000000), wk = 0.0037736 k( 197) = ( 0.2575758 0.2575758 0.5000000), wk = 0.0037736 k( 198) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0037736 k( 199) = ( 0.2424242 0.2424242 0.5000000), wk = 0.0037736 k( 200) = ( 0.2348485 0.2348485 0.5000000), wk = 0.0037736 k( 201) = ( 0.2272727 0.2272727 0.5000000), wk = 0.0037736 k( 202) = ( 0.2196970 0.2196970 0.5000000), wk = 0.0037736 k( 203) = ( 0.2121212 0.2121212 0.5000000), wk = 0.0037736 k( 204) = ( 0.2045454 0.2045454 0.5000000), wk = 0.0037736 k( 205) = ( 0.1969697 0.1969697 0.5000000), wk = 0.0037736 k( 206) = ( 0.1893939 0.1893939 0.5000000), wk = 0.0037736 k( 207) = ( 0.1818182 0.1818182 0.5000000), wk = 0.0037736 k( 208) = ( 0.1742424 0.1742424 0.5000000), wk = 0.0037736 k( 209) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0037736 k( 210) = ( 0.1590909 0.1590909 0.5000000), wk = 0.0037736 k( 211) = ( 0.1515151 0.1515151 0.5000000), wk = 0.0037736 k( 212) = ( 0.1439394 0.1439394 0.5000000), wk = 0.0037736 k( 213) = ( 0.1363636 0.1363636 0.5000000), wk = 0.0037736 k( 214) = ( 0.1287879 0.1287879 0.5000000), wk = 0.0037736 k( 215) = ( 0.1212121 0.1212121 0.5000000), wk = 0.0037736 k( 216) = ( 0.1136364 0.1136364 0.5000000), wk = 0.0037736 k( 217) = ( 0.1060606 0.1060606 0.5000000), wk = 0.0037736 k( 218) = ( 0.0984848 0.0984848 0.5000000), wk = 0.0037736 k( 219) = ( 0.0909091 0.0909091 0.5000000), wk = 0.0037736 k( 220) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0037736 k( 221) = ( 0.0757576 0.0757576 0.5000000), wk = 0.0037736 k( 222) = ( 0.0681818 0.0681818 0.5000000), wk = 0.0037736 k( 223) = ( 0.0606061 0.0606061 0.5000000), wk = 0.0037736 k( 224) = ( 0.0530303 0.0530303 0.5000000), wk = 0.0037736 k( 225) = ( 0.0454546 0.0454545 0.5000000), wk = 0.0037736 k( 226) = ( 0.0378788 0.0378788 0.5000000), wk = 0.0037736 k( 227) = ( 0.0303030 0.0303030 0.5000000), wk = 0.0037736 k( 228) = ( 0.0227273 0.0227273 0.5000000), wk = 0.0037736 k( 229) = ( 0.0151515 0.0151515 0.5000000), wk = 0.0037736 k( 230) = ( 0.0075758 0.0075758 0.5000000), wk = 0.0037736 k( 231) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0037736 k( 232) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0037736 k( 233) = ( 0.5000000 -0.0000000 0.4687500), wk = 0.0037736 k( 234) = ( 0.5000000 -0.0000000 0.4375000), wk = 0.0037736 k( 235) = ( 0.5000000 -0.0000000 0.4062500), wk = 0.0037736 k( 236) = ( 0.5000000 -0.0000000 0.3750000), wk = 0.0037736 k( 237) = ( 0.5000000 -0.0000000 0.3437500), wk = 0.0037736 k( 238) = ( 0.5000000 -0.0000000 0.3125000), wk = 0.0037736 k( 239) = ( 0.5000000 -0.0000000 0.2812500), wk = 0.0037736 k( 240) = ( 0.5000000 -0.0000000 0.2500000), wk = 0.0037736 k( 241) = ( 0.5000000 -0.0000000 0.2187500), wk = 0.0037736 k( 242) = ( 0.5000000 -0.0000000 0.1875000), wk = 0.0037736 k( 243) = ( 0.5000000 -0.0000000 0.1562500), wk = 0.0037736 k( 244) = ( 0.5000000 -0.0000000 0.1250000), wk = 0.0037736 k( 245) = ( 0.5000000 -0.0000000 0.0937500), wk = 0.0037736 k( 246) = ( 0.5000000 -0.0000000 0.0625000), wk = 0.0037736 k( 247) = ( 0.5000000 -0.0000000 0.0312500), wk = 0.0037736 k( 248) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0037736 k( 249) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0037736 k( 250) = ( 0.3333333 0.3333333 0.0312500), wk = 0.0037736 k( 251) = ( 0.3333333 0.3333333 0.0625000), wk = 0.0037736 k( 252) = ( 0.3333333 0.3333333 0.0937500), wk = 0.0037736 k( 253) = ( 0.3333333 0.3333333 0.1250000), wk = 0.0037736 k( 254) = ( 0.3333333 0.3333333 0.1562500), wk = 0.0037736 k( 255) = ( 0.3333333 0.3333333 0.1875000), wk = 0.0037736 k( 256) = ( 0.3333333 0.3333333 0.2187500), wk = 0.0037736 k( 257) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0037736 k( 258) = ( 0.3333333 0.3333333 0.2812500), wk = 0.0037736 k( 259) = ( 0.3333333 0.3333333 0.3125000), wk = 0.0037736 k( 260) = ( 0.3333333 0.3333333 0.3437500), wk = 0.0037736 k( 261) = ( 0.3333333 0.3333333 0.3750000), wk = 0.0037736 k( 262) = ( 0.3333333 0.3333333 0.4062500), wk = 0.0037736 k( 263) = ( 0.3333333 0.3333333 0.4375000), wk = 0.0037736 k( 264) = ( 0.3333333 0.3333333 0.4687500), wk = 0.0037736 k( 265) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0037736 Dense grid: 196043 G-vectors FFT dimensions: ( 60, 60, 125) Smooth grid: 52107 G-vectors FFT dimensions: ( 40, 40, 81) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.18 Mb ( 190, 62) NL pseudopotentials 0.30 Mb ( 95, 204) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.02 Mb ( 2725) G-vector shells 0.01 Mb ( 1318) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.72 Mb ( 190, 248) Each subspace H/S matrix 0.03 Mb ( 41, 41) Each matrix 0.39 Mb ( 204, 2, 62) The potential is recalculated from file : ./KHgSb.save/charge-density.dat Starting wfc are 84 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 6.3 secs Computing kpt #: 2 total cpu time spent up to now is 8.4 secs Computing kpt #: 3 total cpu time spent up to now is 10.6 secs Computing kpt #: 4 total cpu time spent up to now is 12.8 secs Computing kpt #: 5 total cpu time spent up to now is 15.0 secs Computing kpt #: 6 total cpu time spent up to now is 17.1 secs Computing kpt #: 7 total cpu time spent up to now is 18.8 secs Computing kpt #: 8 total cpu time spent up to now is 20.8 secs Computing kpt #: 9 total cpu time spent up to now is 22.5 secs Computing kpt #: 10 total cpu time spent up to now is 24.4 secs Computing kpt #: 11 total cpu time spent up to now is 26.2 secs Computing kpt #: 12 total cpu time spent up to now is 28.3 secs Computing kpt #: 13 total cpu time spent up to now is 30.4 secs Computing kpt #: 14 total cpu time spent up to now is 32.4 secs Computing kpt #: 15 total cpu time spent up to now is 34.3 secs Computing kpt #: 16 total cpu time spent up to now is 36.1 secs Computing kpt #: 17 total cpu time spent up to now is 38.0 secs Computing kpt #: 18 total cpu time spent up to now is 39.8 secs Computing kpt #: 19 total cpu time spent up to now is 41.5 secs Computing kpt #: 20 total cpu time spent up to now is 43.1 secs Computing kpt #: 21 total cpu time spent up to now is 44.6 secs Computing kpt #: 22 total cpu time spent up to now is 46.2 secs Computing kpt #: 23 total cpu time spent up to now is 47.6 secs Computing kpt #: 24 total cpu time spent up to now is 49.1 secs Computing kpt #: 25 total cpu time spent up to now is 50.6 secs Computing kpt #: 26 total cpu time spent up to now is 52.2 secs Computing kpt #: 27 total cpu time spent up to now is 53.6 secs Computing kpt #: 28 total cpu time spent up to now is 55.0 secs Computing kpt #: 29 total cpu time spent up to now is 56.4 secs Computing kpt #: 30 total cpu time spent up to now is 57.9 secs Computing kpt #: 31 total cpu time spent up to now is 59.4 secs Computing kpt #: 32 total cpu time spent up to now is 60.7 secs Computing kpt #: 33 total cpu time spent up to now is 62.1 secs Computing kpt #: 34 total cpu time spent up to now is 63.5 secs Computing kpt #: 35 total cpu time spent up to now is 65.0 secs Computing kpt #: 36 total cpu time spent up to now is 66.6 secs Computing kpt #: 37 total cpu time spent up to now is 68.1 secs Computing kpt #: 38 total cpu time spent up to now is 69.8 secs Computing kpt #: 39 total cpu time spent up to now is 71.4 secs Computing kpt #: 40 total cpu time spent up to now is 73.0 secs Computing kpt #: 41 total cpu time spent up to now is 74.6 secs Computing kpt #: 42 total cpu time spent up to now is 76.2 secs Computing kpt #: 43 total cpu time spent up to now is 77.9 secs Computing kpt #: 44 total cpu time spent up to now is 79.9 secs Computing kpt #: 45 total cpu time spent up to now is 81.6 secs Computing kpt #: 46 total cpu time spent up to now is 83.6 secs Computing kpt #: 47 total cpu time spent up to now is 85.7 secs Computing kpt #: 48 total cpu time spent up to now is 87.8 secs Computing kpt #: 49 total cpu time spent up to now is 90.0 secs Computing kpt #: 50 total cpu time spent up to now is 92.1 secs Computing kpt #: 51 total cpu time spent up to now is 94.4 secs Computing kpt #: 52 total cpu time spent up to now is 97.6 secs Computing kpt #: 53 total cpu time spent up to now is 100.2 secs Computing kpt #: 54 total cpu time spent up to now is 103.0 secs Computing kpt #: 55 total cpu time spent up to now is 105.6 secs Computing kpt #: 56 total cpu time spent up to now is 107.6 secs Computing kpt #: 57 total cpu time spent up to now is 109.6 secs Computing kpt #: 58 total cpu time spent up to now is 111.6 secs Computing kpt #: 59 total cpu time spent up to now is 113.8 secs Computing kpt #: 60 total cpu time spent up to now is 115.8 secs Computing kpt #: 61 total cpu time spent up to now is 117.7 secs Computing kpt #: 62 total cpu time spent up to now is 119.6 secs Computing kpt #: 63 total cpu time spent up to now is 122.5 secs Computing kpt #: 64 total cpu time spent up to now is 124.7 secs Computing kpt #: 65 total cpu time spent up to now is 126.4 secs Computing kpt #: 66 total cpu time spent up to now is 128.2 secs Computing kpt #: 67 total cpu time spent up to now is 130.2 secs Computing kpt #: 68 total cpu time spent up to now is 132.5 secs Computing kpt #: 69 total cpu time spent up to now is 134.7 secs Computing kpt #: 70 total cpu time spent up to now is 136.8 secs Computing kpt #: 71 total cpu time spent up to now is 140.0 secs Computing kpt #: 72 total cpu time spent up to now is 143.2 secs Computing kpt #: 73 total cpu time spent up to now is 145.9 secs Computing kpt #: 74 total cpu time spent up to now is 148.0 secs Computing kpt #: 75 total cpu time spent up to now is 150.2 secs Computing kpt #: 76 total cpu time spent up to now is 152.5 secs Computing kpt #: 77 total cpu time spent up to now is 154.9 secs Computing kpt #: 78 total cpu time spent up to now is 157.4 secs Computing kpt #: 79 total cpu time spent up to now is 159.4 secs Computing kpt #: 80 total cpu time spent up to now is 161.2 secs Computing kpt #: 81 total cpu time spent up to now is 163.2 secs Computing kpt #: 82 total cpu time spent up to now is 165.2 secs Computing kpt #: 83 total cpu time spent up to now is 167.4 secs Computing kpt #: 84 total cpu time spent up to now is 169.6 secs Computing kpt #: 85 total cpu time spent up to now is 171.5 secs Computing kpt #: 86 total cpu time spent up to now is 173.4 secs Computing kpt #: 87 total cpu time spent up to now is 175.4 secs Computing kpt #: 88 total cpu time spent up to now is 177.6 secs Computing kpt #: 89 total cpu time spent up to now is 179.7 secs Computing kpt #: 90 total cpu time spent up to now is 182.0 secs Computing kpt #: 91 total cpu time spent up to now is 183.8 secs Computing kpt #: 92 total cpu time spent up to now is 185.7 secs Computing kpt #: 93 total cpu time spent up to now is 187.8 secs Computing kpt #: 94 total cpu time spent up to now is 189.9 secs Computing kpt #: 95 total cpu time spent up to now is 192.0 secs Computing kpt #: 96 total cpu time spent up to now is 194.3 secs Computing kpt #: 97 total cpu time spent up to now is 196.2 secs Computing kpt #: 98 total cpu time spent up to now is 198.3 secs Computing kpt #: 99 total cpu time spent up to now is 200.4 secs Computing kpt #: 100 total cpu time spent up to now is 202.7 secs Computing kpt #: 101 total cpu time spent up to now is 206.2 secs Computing kpt #: 102 total cpu time spent up to now is 208.3 secs Computing kpt #: 103 total cpu time spent up to now is 210.7 secs Computing kpt #: 104 total cpu time spent up to now is 213.1 secs Computing kpt #: 105 total cpu time spent up to now is 215.3 secs Computing kpt #: 106 total cpu time spent up to now is 217.5 secs Computing kpt #: 107 total cpu time spent up to now is 220.2 secs Computing kpt #: 108 total cpu time spent up to now is 222.5 secs Computing kpt #: 109 total cpu time spent up to now is 224.9 secs Computing kpt #: 110 total cpu time spent up to now is 228.0 secs Computing kpt #: 111 total cpu time spent up to now is 230.7 secs Computing kpt #: 112 total cpu time spent up to now is 233.4 secs Computing kpt #: 113 total cpu time spent up to now is 236.8 secs Computing kpt #: 114 total cpu time spent up to now is 240.2 secs Computing kpt #: 115 total cpu time spent up to now is 243.3 secs Computing kpt #: 116 total cpu time spent up to now is 246.3 secs Computing kpt #: 117 total cpu time spent up to now is 248.3 secs Computing kpt #: 118 total cpu time spent up to now is 250.7 secs Computing kpt #: 119 total cpu time spent up to now is 252.7 secs Computing kpt #: 120 total cpu time spent up to now is 254.7 secs Computing kpt #: 121 total cpu time spent up to now is 256.9 secs Computing kpt #: 122 total cpu time spent up to now is 259.6 secs Computing kpt #: 123 total cpu time spent up to now is 261.8 secs Computing kpt #: 124 total cpu time spent up to now is 263.8 secs Computing kpt #: 125 total cpu time spent up to now is 266.0 secs Computing kpt #: 126 total cpu time spent up to now is 267.9 secs Computing kpt #: 127 total cpu time spent up to now is 269.8 secs Computing kpt #: 128 total cpu time spent up to now is 271.7 secs Computing kpt #: 129 total cpu time spent up to now is 273.6 secs Computing kpt #: 130 total cpu time spent up to now is 275.6 secs Computing kpt #: 131 total cpu time spent up to now is 277.6 secs Computing kpt #: 132 total cpu time spent up to now is 279.7 secs Computing kpt #: 133 total cpu time spent up to now is 281.7 secs Computing kpt #: 134 total cpu time spent up to now is 283.5 secs Computing kpt #: 135 total cpu time spent up to now is 285.3 secs Computing kpt #: 136 total cpu time spent up to now is 287.1 secs Computing kpt #: 137 total cpu time spent up to now is 289.1 secs Computing kpt #: 138 total cpu time spent up to now is 291.0 secs Computing kpt #: 139 total cpu time spent up to now is 292.9 secs Computing kpt #: 140 total cpu time spent up to now is 294.8 secs Computing kpt #: 141 total cpu time spent up to now is 296.8 secs Computing kpt #: 142 total cpu time spent up to now is 298.8 secs Computing kpt #: 143 total cpu time spent up to now is 300.8 secs Computing kpt #: 144 total cpu time spent up to now is 303.0 secs Computing kpt #: 145 total cpu time spent up to now is 305.0 secs Computing kpt #: 146 total cpu time spent up to now is 307.1 secs Computing kpt #: 147 total cpu time spent up to now is 309.1 secs Computing kpt #: 148 total cpu time spent up to now is 311.2 secs Computing kpt #: 149 total cpu time spent up to now is 313.2 secs Computing kpt #: 150 total cpu time spent up to now is 315.2 secs Computing kpt #: 151 total cpu time spent up to now is 317.2 secs Computing kpt #: 152 total cpu time spent up to now is 319.1 secs Computing kpt #: 153 total cpu time spent up to now is 321.3 secs Computing kpt #: 154 total cpu time spent up to now is 323.2 secs Computing kpt #: 155 total cpu time spent up to now is 325.0 secs Computing kpt #: 156 total cpu time spent up to now is 327.0 secs Computing kpt #: 157 total cpu time spent up to now is 328.9 secs Computing kpt #: 158 total cpu time spent up to now is 331.4 secs Computing kpt #: 159 total cpu time spent up to now is 333.3 secs Computing kpt #: 160 total cpu time spent up to now is 335.5 secs Computing kpt #: 161 total cpu time spent up to now is 337.8 secs Computing kpt #: 162 total cpu time spent up to now is 340.2 secs Computing kpt #: 163 total cpu time spent up to now is 342.6 secs Computing kpt #: 164 total cpu time spent up to now is 344.9 secs Computing kpt #: 165 total cpu time spent up to now is 347.5 secs Computing kpt #: 166 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 351.8 secs Computing kpt #: 167 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 356.2 secs Computing kpt #: 168 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 360.8 secs Computing kpt #: 169 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 365.4 secs Computing kpt #: 170 total cpu time spent up to now is 369.6 secs Computing kpt #: 171 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 374.4 secs Computing kpt #: 172 total cpu time spent up to now is 378.5 secs Computing kpt #: 173 total cpu time spent up to now is 382.4 secs Computing kpt #: 174 total cpu time spent up to now is 386.7 secs Computing kpt #: 175 total cpu time spent up to now is 390.0 secs Computing kpt #: 176 total cpu time spent up to now is 393.0 secs Computing kpt #: 177 total cpu time spent up to now is 396.2 secs Computing kpt #: 178 total cpu time spent up to now is 399.2 secs Computing kpt #: 179 total cpu time spent up to now is 402.0 secs Computing kpt #: 180 total cpu time spent up to now is 404.6 secs Computing kpt #: 181 total cpu time spent up to now is 407.7 secs Computing kpt #: 182 total cpu time spent up to now is 410.4 secs Computing kpt #: 183 total cpu time spent up to now is 413.6 secs Computing kpt #: 184 total cpu time spent up to now is 416.6 secs Computing kpt #: 185 total cpu time spent up to now is 419.9 secs Computing kpt #: 186 total cpu time spent up to now is 423.5 secs Computing kpt #: 187 total cpu time spent up to now is 427.2 secs Computing kpt #: 188 total cpu time spent up to now is 430.4 secs Computing kpt #: 189 total cpu time spent up to now is 433.4 secs Computing kpt #: 190 total cpu time spent up to now is 435.8 secs Computing kpt #: 191 total cpu time spent up to now is 438.5 secs Computing kpt #: 192 total cpu time spent up to now is 441.0 secs Computing kpt #: 193 total cpu time spent up to now is 444.2 secs Computing kpt #: 194 total cpu time spent up to now is 446.8 secs Computing kpt #: 195 total cpu time spent up to now is 448.7 secs Computing kpt #: 196 total cpu time spent up to now is 450.6 secs Computing kpt #: 197 total cpu time spent up to now is 452.5 secs Computing kpt #: 198 total cpu time spent up to now is 454.4 secs Computing kpt #: 199 total cpu time spent up to now is 456.2 secs Computing kpt #: 200 total cpu time spent up to now is 458.1 secs Computing kpt #: 201 total cpu time spent up to now is 460.0 secs Computing kpt #: 202 total cpu time spent up to now is 461.8 secs Computing kpt #: 203 total cpu time spent up to now is 463.6 secs Computing kpt #: 204 total cpu time spent up to now is 465.4 secs Computing kpt #: 205 total cpu time spent up to now is 467.2 secs Computing kpt #: 206 total cpu time spent up to now is 469.0 secs Computing kpt #: 207 total cpu time spent up to now is 470.8 secs Computing kpt #: 208 total cpu time spent up to now is 472.7 secs Computing kpt #: 209 total cpu time spent up to now is 474.6 secs Computing kpt #: 210 total cpu time spent up to now is 476.3 secs Computing kpt #: 211 total cpu time spent up to now is 478.2 secs Computing kpt #: 212 total cpu time spent up to now is 480.5 secs Computing kpt #: 213 total cpu time spent up to now is 482.5 secs Computing kpt #: 214 total cpu time spent up to now is 484.5 secs Computing kpt #: 215 total cpu time spent up to now is 486.3 secs Computing kpt #: 216 total cpu time spent up to now is 488.0 secs Computing kpt #: 217 total cpu time spent up to now is 489.6 secs Computing kpt #: 218 total cpu time spent up to now is 491.2 secs Computing kpt #: 219 total cpu time spent up to now is 493.1 secs Computing kpt #: 220 total cpu time spent up to now is 494.9 secs Computing kpt #: 221 total cpu time spent up to now is 496.7 secs Computing kpt #: 222 total cpu time spent up to now is 498.6 secs Computing kpt #: 223 total cpu time spent up to now is 500.4 secs Computing kpt #: 224 total cpu time spent up to now is 502.4 secs Computing kpt #: 225 total cpu time spent up to now is 504.3 secs Computing kpt #: 226 total cpu time spent up to now is 506.4 secs Computing kpt #: 227 total cpu time spent up to now is 508.9 secs Computing kpt #: 228 total cpu time spent up to now is 511.4 secs Computing kpt #: 229 total cpu time spent up to now is 513.7 secs Computing kpt #: 230 total cpu time spent up to now is 515.8 secs Computing kpt #: 231 total cpu time spent up to now is 518.4 secs Computing kpt #: 232 total cpu time spent up to now is 521.0 secs Computing kpt #: 233 total cpu time spent up to now is 524.0 secs Computing kpt #: 234 total cpu time spent up to now is 527.2 secs Computing kpt #: 235 total cpu time spent up to now is 530.4 secs Computing kpt #: 236 total cpu time spent up to now is 533.3 secs Computing kpt #: 237 total cpu time spent up to now is 536.1 secs Computing kpt #: 238 total cpu time spent up to now is 538.5 secs Computing kpt #: 239 total cpu time spent up to now is 541.4 secs Computing kpt #: 240 total cpu time spent up to now is 544.4 secs Computing kpt #: 241 total cpu time spent up to now is 547.6 secs Computing kpt #: 242 total cpu time spent up to now is 549.5 secs Computing kpt #: 243 total cpu time spent up to now is 551.4 secs Computing kpt #: 244 total cpu time spent up to now is 553.7 secs Computing kpt #: 245 total cpu time spent up to now is 555.7 secs Computing kpt #: 246 total cpu time spent up to now is 557.6 secs Computing kpt #: 247 total cpu time spent up to now is 559.2 secs Computing kpt #: 248 total cpu time spent up to now is 561.0 secs Computing kpt #: 249 total cpu time spent up to now is 562.9 secs Computing kpt #: 250 total cpu time spent up to now is 564.7 secs Computing kpt #: 251 total cpu time spent up to now is 566.7 secs Computing kpt #: 252 total cpu time spent up to now is 568.6 secs Computing kpt #: 253 total cpu time spent up to now is 570.7 secs Computing kpt #: 254 total cpu time spent up to now is 572.6 secs Computing kpt #: 255 total cpu time spent up to now is 574.4 secs Computing kpt #: 256 total cpu time spent up to now is 576.4 secs Computing kpt #: 257 total cpu time spent up to now is 578.5 secs Computing kpt #: 258 total cpu time spent up to now is 580.5 secs Computing kpt #: 259 total cpu time spent up to now is 582.6 secs Computing kpt #: 260 total cpu time spent up to now is 584.7 secs Computing kpt #: 261 total cpu time spent up to now is 586.8 secs Computing kpt #: 262 total cpu time spent up to now is 589.1 secs Computing kpt #: 263 total cpu time spent up to now is 592.5 secs Computing kpt #: 264 total cpu time spent up to now is 595.2 secs Computing kpt #: 265 total cpu time spent up to now is 599.0 secs ethr = 1.92E-08, avg # of iterations = 37.1 total cpu time spent up to now is 599.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6545 PWs) bands (ev): -24.8496 -24.8496 -24.8491 -24.8491 -8.5439 -8.5439 -8.5240 -8.5240 -8.2973 -8.2973 -8.2679 -8.2679 -8.2469 -8.2469 -8.2444 -8.2444 -4.2992 -4.2992 -4.1428 -4.1428 -2.6856 -2.6856 -2.6777 -2.6777 -2.2121 -2.2121 -2.1597 -2.1597 -1.1534 -1.1534 -1.1415 -1.1415 -0.6217 -0.6217 -0.6040 -0.6040 -0.4221 -0.4221 -0.3330 -0.3330 3.0916 3.0916 4.6186 4.6186 5.0048 5.0048 5.0544 5.0544 5.4971 5.4971 5.6904 5.6904 6.0181 6.0181 6.2601 6.2601 8.1328 8.1328 9.1191 9.1191 9.4300 9.4300 k = 0.0132 0.0076-0.0000 ( 6535 PWs) bands (ev): -24.8496 -24.8496 -24.8491 -24.8491 -8.5439 -8.5439 -8.5241 -8.5241 -8.2973 -8.2973 -8.2679 -8.2679 -8.2470 -8.2470 -8.2444 -8.2444 -4.2982 -4.2982 -4.1420 -4.1420 -2.6852 -2.6852 -2.6775 -2.6775 -2.2121 -2.2121 -2.1597 -2.1597 -1.1530 -1.1530 -1.1412 -1.1412 -0.6218 -0.6218 -0.6041 -0.6041 -0.4221 -0.4221 -0.3330 -0.3330 3.0935 3.0935 4.6195 4.6195 4.9678 4.9678 5.0252 5.0252 5.5177 5.5177 5.7044 5.7044 6.0297 6.0297 6.2671 6.2671 8.1347 8.1347 9.1241 9.1241 9.4329 9.4329 k = 0.0263 0.0152-0.0000 ( 6535 PWs) bands (ev): -24.8496 -24.8496 -24.8491 -24.8491 -8.5439 -8.5439 -8.5242 -8.5242 -8.2973 -8.2973 -8.2679 -8.2679 -8.2472 -8.2472 -8.2446 -8.2446 -4.2950 -4.2950 -4.1398 -4.1398 -2.6843 -2.6843 -2.6768 -2.6768 -2.2122 -2.2122 -2.1600 -2.1600 -1.1518 -1.1518 -1.1403 -1.1403 -0.6219 -0.6219 -0.6045 -0.6045 -0.4220 -0.4220 -0.3331 -0.3331 3.0992 3.0992 4.6220 4.6220 4.8747 4.8747 4.9471 4.9471 5.5594 5.5594 5.7352 5.7352 6.0662 6.0662 6.2898 6.2898 8.1402 8.1402 9.1389 9.1389 9.4413 9.4413 k = 0.0395 0.0228-0.0000 ( 6545 PWs) bands (ev): -24.8496 -24.8496 -24.8491 -24.8491 -8.5439 -8.5439 -8.5243 -8.5243 -8.2972 -8.2972 -8.2680 -8.2680 -8.2475 -8.2475 -8.2449 -8.2449 -4.2899 -4.2899 -4.1361 -4.1361 -2.6827 -2.6827 -2.6755 -2.6755 -2.2122 -2.2122 -2.1604 -2.1604 -1.1498 -1.1498 -1.1387 -1.1387 -0.6222 -0.6222 -0.6052 -0.6052 -0.4217 -0.4217 -0.3333 -0.3333 3.1088 3.1088 4.6257 4.6257 4.7519 4.7519 4.8379 4.8379 5.5937 5.5937 5.7628 5.7628 6.1299 6.1299 6.3314 6.3314 8.1492 8.1492 9.1628 9.1628 9.4535 9.4535 k = 0.0526 0.0304-0.0000 ( 6541 PWs) bands (ev): -24.8495 -24.8495 -24.8490 -24.8490 -8.5439 -8.5439 -8.5246 -8.5246 -8.2972 -8.2972 -8.2682 -8.2682 -8.2480 -8.2480 -8.2453 -8.2453 -4.2827 -4.2827 -4.1310 -4.1310 -2.6805 -2.6805 -2.6738 -2.6738 -2.2123 -2.2123 -2.1610 -2.1610 -1.1471 -1.1471 -1.1366 -1.1366 -0.6226 -0.6226 -0.6062 -0.6062 -0.4214 -0.4214 -0.3335 -0.3335 3.1221 3.1221 4.6097 4.6097 4.6324 4.6324 4.7131 4.7131 5.6084 5.6084 5.7745 5.7745 6.2174 6.2174 6.3927 6.3927 8.1619 8.1619 9.1948 9.1948 9.4615 9.4615 k = 0.0658 0.0380-0.0000 ( 6549 PWs) bands (ev): -24.8495 -24.8495 -24.8490 -24.8490 -8.5439 -8.5439 -8.5249 -8.5249 -8.2971 -8.2971 -8.2683 -8.2683 -8.2486 -8.2486 -8.2458 -8.2458 -4.2735 -4.2735 -4.1244 -4.1244 -2.6777 -2.6777 -2.6715 -2.6715 -2.2124 -2.2124 -2.1617 -2.1617 -1.1435 -1.1435 -1.1338 -1.1338 -0.6231 -0.6231 -0.6074 -0.6074 -0.4210 -0.4210 -0.3338 -0.3338 3.1392 3.1392 4.4659 4.4659 4.5612 4.5612 4.6498 4.6498 5.6044 5.6044 5.7671 5.7671 6.3206 6.3206 6.4702 6.4702 8.1779 8.1779 9.2335 9.2335 9.4451 9.4451 k = 0.0789 0.0456-0.0000 ( 6545 PWs) bands (ev): -24.8495 -24.8495 -24.8489 -24.8489 -8.5438 -8.5438 -8.5252 -8.5252 -8.2971 -8.2971 -8.2686 -8.2686 -8.2493 -8.2493 -8.2464 -8.2464 -4.2623 -4.2623 -4.1164 -4.1164 -2.6743 -2.6743 -2.6687 -2.6687 -2.2125 -2.2125 -2.1625 -2.1625 -1.1392 -1.1392 -1.1304 -1.1304 -0.6237 -0.6237 -0.6089 -0.6089 -0.4205 -0.4205 -0.3341 -0.3341 3.1599 3.1599 4.3145 4.3145 4.4179 4.4179 4.6561 4.6561 5.5859 5.5859 5.7429 5.7429 6.4313 6.4313 6.5581 6.5581 8.1972 8.1972 9.2780 9.2780 9.4035 9.4035 k = 0.0921 0.0532-0.0000 ( 6549 PWs) bands (ev): -24.8494 -24.8494 -24.8489 -24.8489 -8.5438 -8.5438 -8.5256 -8.5256 -8.2970 -8.2970 -8.2688 -8.2688 -8.2501 -8.2501 -8.2471 -8.2471 -4.2493 -4.2493 -4.1071 -4.1071 -2.6702 -2.6702 -2.6654 -2.6654 -2.2126 -2.2126 -2.1635 -2.1635 -1.1341 -1.1341 -1.1264 -1.1264 -0.6244 -0.6244 -0.6105 -0.6105 -0.4200 -0.4200 -0.3345 -0.3345 3.1843 3.1843 4.1599 4.1599 4.2673 4.2673 4.6672 4.6672 5.5569 5.5569 5.7056 5.7056 6.5426 6.5426 6.6511 6.6511 8.2197 8.2197 9.3269 9.3269 9.3522 9.3522 k = 0.1053 0.0608-0.0000 ( 6535 PWs) bands (ev): -24.8494 -24.8494 -24.8488 -24.8488 -8.5438 -8.5438 -8.5261 -8.5261 -8.2969 -8.2969 -8.2691 -8.2691 -8.2510 -8.2510 -8.2478 -8.2478 -4.2345 -4.2345 -4.0965 -4.0965 -2.6655 -2.6655 -2.6616 -2.6616 -2.2127 -2.2127 -2.1645 -2.1645 -1.1282 -1.1282 -1.1217 -1.1217 -0.6252 -0.6252 -0.6124 -0.6124 -0.4193 -0.4193 -0.3348 -0.3348 3.2121 3.2121 4.0035 4.0035 4.1134 4.1134 4.6805 4.6805 5.5199 5.5199 5.6585 5.6585 6.6490 6.6490 6.7458 6.7458 8.2452 8.2452 9.2983 9.2983 9.3783 9.3783 k = 0.1184 0.0684-0.0000 ( 6535 PWs) bands (ev): -24.8493 -24.8493 -24.8488 -24.8488 -8.5438 -8.5438 -8.5266 -8.5266 -8.2968 -8.2968 -8.2695 -8.2695 -8.2519 -8.2519 -8.2487 -8.2487 -4.2179 -4.2179 -4.0846 -4.0846 -2.6601 -2.6601 -2.6572 -2.6572 -2.2128 -2.2128 -2.1656 -2.1656 -1.1216 -1.1216 -1.1163 -1.1163 -0.6260 -0.6260 -0.6144 -0.6144 -0.4186 -0.4186 -0.3352 -0.3352 3.2434 3.2434 3.8460 3.8460 3.9576 3.9576 4.6956 4.6956 5.4769 5.4769 5.6042 5.6042 6.7466 6.7466 6.8397 6.8397 8.2734 8.2734 9.2425 9.2425 9.4212 9.4212 k = 0.1316 0.0760-0.0000 ( 6531 PWs) bands (ev): -24.8492 -24.8492 -24.8487 -24.8487 -8.5438 -8.5438 -8.5272 -8.5272 -8.2967 -8.2967 -8.2699 -8.2699 -8.2529 -8.2529 -8.2496 -8.2496 -4.1997 -4.1997 -4.0716 -4.0716 -2.6542 -2.6542 -2.6522 -2.6522 -2.2128 -2.2128 -2.1667 -2.1667 -1.1143 -1.1143 -1.1102 -1.1102 -0.6270 -0.6270 -0.6166 -0.6166 -0.4177 -0.4177 -0.3356 -0.3356 3.2780 3.2780 3.6882 3.6882 3.8012 3.8012 4.7122 4.7122 5.4293 5.4293 5.5446 5.5446 6.8328 6.8328 6.9304 6.9304 8.3043 8.3043 9.1803 9.1803 9.4185 9.4185 k = 0.1447 0.0836-0.0000 ( 6531 PWs) bands (ev): -24.8492 -24.8492 -24.8486 -24.8486 -8.5438 -8.5438 -8.5278 -8.5278 -8.2966 -8.2966 -8.2705 -8.2705 -8.2540 -8.2540 -8.2506 -8.2506 -4.1800 -4.1800 -4.0574 -4.0574 -2.6477 -2.6477 -2.6465 -2.6465 -2.2128 -2.2128 -2.1678 -2.1678 -1.1063 -1.1063 -1.1032 -1.1032 -0.6280 -0.6280 -0.6188 -0.6188 -0.4168 -0.4168 -0.3359 -0.3359 3.3153 3.3153 3.5305 3.5305 3.6448 3.6448 4.7303 4.7303 5.3781 5.3781 5.4812 5.4812 6.9070 6.9070 7.0149 7.0149 8.3377 8.3377 9.1055 9.1055 9.3888 9.3888 k = 0.1579 0.0912-0.0000 ( 6525 PWs) bands (ev): -24.8491 -24.8491 -24.8486 -24.8486 -8.5438 -8.5438 -8.5285 -8.5285 -8.2965 -8.2965 -8.2711 -8.2711 -8.2550 -8.2550 -8.2516 -8.2516 -4.1588 -4.1588 -4.0422 -4.0422 -2.6409 -2.6409 -2.6399 -2.6399 -2.2128 -2.2128 -2.1688 -2.1688 -1.0978 -1.0978 -1.0953 -1.0953 -0.6291 -0.6291 -0.6211 -0.6211 -0.4158 -0.4158 -0.3362 -0.3362 3.3524 3.3524 3.3746 3.3746 3.4910 3.4910 4.7495 4.7495 5.3241 5.3241 5.4152 5.4152 6.9695 6.9695 7.0903 7.0903 8.3735 8.3735 9.0168 9.0168 9.3770 9.3770 k = 0.1711 0.0988-0.0000 ( 6538 PWs) bands (ev): -24.8490 -24.8490 -24.8485 -24.8485 -8.5438 -8.5438 -8.5292 -8.5292 -8.2964 -8.2964 -8.2718 -8.2718 -8.2560 -8.2560 -8.2527 -8.2527 -4.1364 -4.1364 -4.0262 -4.0262 -2.6339 -2.6339 -2.6323 -2.6323 -2.2126 -2.2126 -2.1698 -2.1698 -1.0891 -1.0891 -1.0861 -1.0861 -0.6303 -0.6303 -0.6234 -0.6234 -0.4148 -0.4148 -0.3364 -0.3364 3.2162 3.2162 3.3223 3.3223 3.4112 3.4112 4.7698 4.7698 5.2681 5.2681 5.3476 5.3476 7.0207 7.0207 7.1548 7.1548 8.4116 8.4116 8.9188 8.9188 9.3892 9.3892 k = 0.1842 0.1064-0.0000 ( 6554 PWs) bands (ev): -24.8490 -24.8490 -24.8484 -24.8484 -8.5439 -8.5439 -8.5300 -8.5300 -8.2963 -8.2963 -8.2726 -8.2726 -8.2570 -8.2570 -8.2538 -8.2538 -4.1129 -4.1129 -4.0092 -4.0092 -2.6265 -2.6265 -2.6239 -2.6239 -2.2123 -2.2123 -2.1707 -2.1707 -1.0800 -1.0800 -1.0758 -1.0758 -0.6316 -0.6316 -0.6257 -0.6257 -0.4136 -0.4136 -0.3365 -0.3365 3.0608 3.0608 3.1729 3.1729 3.4529 3.4529 4.7905 4.7905 5.2107 5.2107 5.2796 5.2796 7.0608 7.0608 7.2078 7.2078 8.4518 8.4518 8.8162 8.8162 9.4214 9.4214 k = 0.1974 0.1140-0.0000 ( 6550 PWs) bands (ev): -24.8489 -24.8489 -24.8483 -24.8483 -8.5439 -8.5439 -8.5308 -8.5308 -8.2962 -8.2962 -8.2735 -8.2735 -8.2579 -8.2579 -8.2550 -8.2550 -4.0884 -4.0884 -3.9916 -3.9916 -2.6184 -2.6184 -2.6149 -2.6149 -2.2119 -2.2119 -2.1714 -2.1714 -1.0703 -1.0703 -1.0647 -1.0647 -0.6330 -0.6330 -0.6278 -0.6278 -0.4123 -0.4123 -0.3366 -0.3366 2.9066 2.9066 3.0204 3.0204 3.5020 3.5020 4.8113 4.8113 5.1526 5.1526 5.2122 5.2122 7.0901 7.0901 7.2500 7.2500 8.4932 8.4932 8.7128 8.7128 9.4661 9.4661 k = 0.2105 0.1215-0.0000 ( 6544 PWs) bands (ev): -24.8488 -24.8488 -24.8483 -24.8483 -8.5440 -8.5440 -8.5317 -8.5317 -8.2961 -8.2961 -8.2745 -8.2745 -8.2588 -8.2588 -8.2561 -8.2561 -4.0631 -4.0631 -3.9734 -3.9734 -2.6097 -2.6097 -2.6053 -2.6053 -2.2112 -2.2112 -2.1720 -2.1720 -1.0598 -1.0598 -1.0527 -1.0527 -0.6347 -0.6347 -0.6297 -0.6297 -0.4110 -0.4110 -0.3365 -0.3365 2.7539 2.7539 2.8691 2.8691 3.5544 3.5544 4.8307 4.8307 5.0939 5.0939 5.1473 5.1473 7.1088 7.1088 7.2827 7.2827 8.5289 8.5289 8.6172 8.6172 9.5079 9.5079 k = 0.2237 0.1291-0.0000 ( 6536 PWs) bands (ev): -24.8487 -24.8487 -24.8482 -24.8482 -8.5441 -8.5441 -8.5325 -8.5325 -8.2960 -8.2960 -8.2756 -8.2756 -8.2595 -8.2595 -8.2572 -8.2572 -4.0371 -4.0371 -3.9547 -3.9547 -2.6004 -2.6004 -2.5953 -2.5953 -2.2104 -2.2104 -2.1722 -2.1722 -1.0486 -1.0486 -1.0399 -1.0399 -0.6365 -0.6365 -0.6314 -0.6314 -0.4095 -0.4095 -0.3363 -0.3363 2.6031 2.6031 2.7196 2.7196 3.6095 3.6095 4.8465 4.8465 5.0347 5.0347 5.0882 5.0882 7.1176 7.1176 7.3077 7.3077 8.4851 8.4851 8.6039 8.6039 9.5207 9.5207 k = 0.2368 0.1367-0.0000 ( 6536 PWs) bands (ev): -24.8486 -24.8486 -24.8481 -24.8481 -8.5443 -8.5443 -8.5334 -8.5334 -8.2959 -8.2959 -8.2768 -8.2768 -8.2602 -8.2602 -8.2583 -8.2583 -4.0108 -4.0108 -3.9356 -3.9356 -2.5905 -2.5905 -2.5847 -2.5847 -2.2093 -2.2093 -2.1722 -2.1722 -1.0366 -1.0366 -1.0263 -1.0263 -0.6385 -0.6385 -0.6328 -0.6328 -0.4079 -0.4079 -0.3359 -0.3359 2.4543 2.4543 2.5723 2.5723 3.6669 3.6669 4.8531 4.8531 4.9741 4.9741 5.0416 5.0416 7.1176 7.1176 7.3265 7.3265 8.3866 8.3866 8.6489 8.6489 9.4906 9.4906 k = 0.2500 0.1443-0.0000 ( 6540 PWs) bands (ev): -24.8485 -24.8485 -24.8480 -24.8480 -8.5444 -8.5444 -8.5343 -8.5343 -8.2958 -8.2958 -8.2781 -8.2781 -8.2609 -8.2609 -8.2594 -8.2594 -3.9841 -3.9841 -3.9164 -3.9164 -2.5799 -2.5799 -2.5738 -2.5738 -2.2079 -2.2079 -2.1719 -2.1719 -1.0237 -1.0237 -1.0120 -1.0120 -0.6406 -0.6406 -0.6341 -0.6341 -0.4062 -0.4062 -0.3354 -0.3354 2.3078 2.3078 2.4275 2.4275 3.7265 3.7265 4.8421 4.8421 4.9123 4.9123 5.0167 5.0167 7.1101 7.1101 7.3405 7.3405 8.2851 8.2851 8.7009 8.7009 9.4324 9.4324 k = 0.2632 0.1519-0.0000 ( 6522 PWs) bands (ev): -24.8484 -24.8484 -24.8479 -24.8479 -8.5446 -8.5446 -8.5352 -8.5352 -8.2958 -8.2958 -8.2794 -8.2794 -8.2614 -8.2614 -8.2604 -8.2604 -3.9575 -3.9575 -3.8970 -3.8970 -2.5689 -2.5689 -2.5625 -2.5625 -2.2062 -2.2062 -2.1712 -2.1712 -1.0100 -1.0100 -0.9968 -0.9968 -0.6426 -0.6426 -0.6352 -0.6352 -0.4043 -0.4043 -0.3346 -0.3346 2.1638 2.1638 2.2855 2.2855 3.7880 3.7880 4.8110 4.8110 4.8503 4.8503 5.0153 5.0153 7.0964 7.0964 7.3508 7.3508 8.1844 8.1844 8.7563 8.7563 9.3616 9.3616 k = 0.2763 0.1595-0.0000 ( 6526 PWs) bands (ev): -24.8483 -24.8483 -24.8478 -24.8478 -8.5448 -8.5448 -8.5361 -8.5361 -8.2958 -8.2958 -8.2807 -8.2807 -8.2621 -8.2621 -8.2613 -8.2613 -3.9310 -3.9310 -3.8777 -3.8777 -2.5573 -2.5573 -2.5509 -2.5509 -2.2040 -2.2040 -2.1700 -2.1700 -0.9954 -0.9954 -0.9810 -0.9810 -0.6446 -0.6446 -0.6362 -0.6362 -0.4022 -0.4022 -0.3336 -0.3336 2.0227 2.0227 2.1466 2.1466 3.8512 3.8512 4.7680 4.7680 4.7893 4.7893 5.0284 5.0284 7.0780 7.0780 7.3579 7.3579 8.0854 8.0854 8.8145 8.8145 9.2856 9.2856 k = 0.2895 0.1671-0.0000 ( 6526 PWs) bands (ev): -24.8482 -24.8482 -24.8477 -24.8477 -8.5450 -8.5450 -8.5370 -8.5370 -8.2958 -8.2958 -8.2821 -8.2821 -8.2628 -8.2628 -8.2619 -8.2619 -3.9050 -3.9050 -3.8586 -3.8586 -2.5454 -2.5454 -2.5392 -2.5392 -2.2014 -2.2014 -2.1684 -2.1684 -0.9799 -0.9799 -0.9644 -0.9644 -0.6465 -0.6465 -0.6371 -0.6371 -0.4000 -0.4000 -0.3323 -0.3323 1.8846 1.8846 2.0109 2.0109 3.9158 3.9158 4.7203 4.7203 4.7303 4.7303 5.0482 5.0482 7.0562 7.0562 7.3626 7.3626 7.9886 7.9886 8.8752 8.8752 9.2080 9.2080 k = 0.3026 0.1747-0.0000 ( 6518 PWs) bands (ev): -24.8481 -24.8481 -24.8476 -24.8476 -8.5452 -8.5452 -8.5379 -8.5379 -8.2958 -8.2958 -8.2835 -8.2835 -8.2636 -8.2636 -8.2624 -8.2624 -3.8795 -3.8795 -3.8398 -3.8398 -2.5332 -2.5332 -2.5275 -2.5275 -2.1982 -2.1982 -2.1663 -2.1663 -0.9634 -0.9634 -0.9470 -0.9470 -0.6482 -0.6482 -0.6380 -0.6380 -0.3975 -0.3975 -0.3307 -0.3307 1.7499 1.7499 1.8788 1.8788 3.9814 3.9814 4.6701 4.6701 4.6754 4.6754 5.0706 5.0706 7.0321 7.0321 7.3651 7.3651 7.8944 7.8944 8.9380 8.9380 9.1309 9.1309 k = 0.3158 0.1823-0.0000 ( 6514 PWs) bands (ev): -24.8480 -24.8480 -24.8475 -24.8475 -8.5455 -8.5455 -8.5387 -8.5387 -8.2958 -8.2958 -8.2848 -8.2848 -8.2644 -8.2644 -8.2628 -8.2628 -3.8549 -3.8549 -3.8215 -3.8215 -2.5209 -2.5209 -2.5159 -2.5159 -2.1945 -2.1945 -2.1636 -2.1636 -0.9460 -0.9460 -0.9290 -0.9290 -0.6499 -0.6499 -0.6388 -0.6388 -0.3946 -0.3946 -0.3287 -0.3287 1.6189 1.6189 1.7506 1.7506 4.0476 4.0476 4.6177 4.6177 4.6265 4.6265 5.0939 5.0939 7.0066 7.0066 7.3658 7.3658 7.8032 7.8032 9.0008 9.0008 9.0574 9.0574 k = 0.3289 0.1899-0.0000 ( 6512 PWs) bands (ev): -24.8479 -24.8479 -24.8475 -24.8475 -8.5457 -8.5457 -8.5396 -8.5396 -8.2959 -8.2959 -8.2861 -8.2861 -8.2651 -8.2651 -8.2631 -8.2631 -3.8314 -3.8314 -3.8036 -3.8036 -2.5086 -2.5086 -2.5044 -2.5044 -2.1901 -2.1901 -2.1604 -2.1604 -0.9278 -0.9278 -0.9104 -0.9104 -0.6513 -0.6513 -0.6396 -0.6396 -0.3914 -0.3914 -0.3263 -0.3263 1.4918 1.4918 1.6266 1.6266 4.1137 4.1137 4.5676 4.5676 4.5806 4.5806 5.1168 5.1168 6.9805 6.9805 7.3649 7.3649 7.7157 7.7157 8.9779 8.9779 9.0739 9.0739 k = 0.3421 0.1975-0.0000 ( 6500 PWs) bands (ev): -24.8478 -24.8478 -24.8474 -24.8474 -8.5459 -8.5459 -8.5404 -8.5404 -8.2960 -8.2960 -8.2873 -8.2873 -8.2658 -8.2658 -8.2633 -8.2633 -3.8092 -3.8092 -3.7864 -3.7864 -2.4966 -2.4966 -2.4933 -2.4933 -2.1850 -2.1850 -2.1567 -2.1567 -0.9087 -0.9087 -0.8911 -0.8911 -0.6527 -0.6527 -0.6403 -0.6403 -0.3878 -0.3878 -0.3235 -0.3235 1.3690 1.3690 1.5072 1.5072 4.1785 4.1785 4.5219 4.5219 4.5373 4.5373 5.1387 5.1387 6.9542 6.9542 7.3623 7.3623 7.6326 7.6326 8.9083 8.9083 9.1420 9.1420 k = 0.3553 0.2051-0.0000 ( 6504 PWs) bands (ev): -24.8478 -24.8478 -24.8473 -24.8473 -8.5462 -8.5462 -8.5412 -8.5412 -8.2961 -8.2961 -8.2885 -8.2885 -8.2664 -8.2664 -8.2635 -8.2635 -3.7886 -3.7886 -3.7697 -3.7697 -2.4851 -2.4851 -2.4826 -2.4826 -2.1793 -2.1793 -2.1526 -2.1526 -0.8888 -0.8888 -0.8714 -0.8714 -0.6539 -0.6539 -0.6411 -0.6411 -0.3836 -0.3836 -0.3202 -0.3202 1.2511 1.2511 1.3928 1.3928 4.2396 4.2396 4.4824 4.4824 4.4973 4.4973 5.1588 5.1588 6.9283 6.9283 7.3575 7.3575 7.5549 7.5549 8.8414 8.8414 9.2126 9.2126 k = 0.3684 0.2127-0.0000 ( 6496 PWs) bands (ev): -24.8477 -24.8477 -24.8472 -24.8472 -8.5464 -8.5464 -8.5419 -8.5419 -8.2963 -8.2963 -8.2896 -8.2896 -8.2670 -8.2670 -8.2637 -8.2637 -3.7699 -3.7699 -3.7536 -3.7536 -2.4746 -2.4746 -2.4722 -2.4722 -2.1731 -2.1731 -2.1480 -2.1480 -0.8683 -0.8683 -0.8513 -0.8513 -0.6550 -0.6550 -0.6419 -0.6419 -0.3788 -0.3788 -0.3164 -0.3164 1.1383 1.1383 1.2838 1.2838 4.2902 4.2902 4.4508 4.4508 4.4658 4.4658 5.1767 5.1767 6.9030 6.9030 7.3490 7.3490 7.4853 7.4853 8.7783 8.7783 9.2846 9.2846 k = 0.3816 0.2203-0.0000 ( 6514 PWs) bands (ev): -24.8477 -24.8477 -24.8472 -24.8472 -8.5467 -8.5467 -8.5426 -8.5426 -8.2964 -8.2964 -8.2907 -8.2907 -8.2675 -8.2675 -8.2639 -8.2639 -3.7534 -3.7534 -3.7380 -3.7380 -2.4652 -2.4652 -2.4622 -2.4622 -2.1663 -2.1663 -2.1431 -2.1431 -0.8475 -0.8475 -0.8311 -0.8311 -0.6560 -0.6560 -0.6428 -0.6428 -0.3732 -0.3732 -0.3120 -0.3120 1.0313 1.0313 1.1807 1.1807 4.3146 4.3146 4.4193 4.4193 4.4662 4.4662 5.1917 5.1917 6.8786 6.8786 7.3316 7.3316 7.4295 7.4295 8.7196 8.7196 9.3577 9.3577 k = 0.3947 0.2279-0.0000 ( 6510 PWs) bands (ev): -24.8476 -24.8476 -24.8471 -24.8471 -8.5469 -8.5469 -8.5433 -8.5433 -8.2966 -8.2966 -8.2917 -8.2917 -8.2679 -8.2679 -8.2640 -8.2640 -3.7390 -3.7390 -3.7232 -3.7232 -2.4568 -2.4568 -2.4528 -2.4528 -2.1591 -2.1591 -2.1381 -2.1381 -0.8265 -0.8265 -0.8110 -0.8110 -0.6569 -0.6569 -0.6438 -0.6438 -0.3668 -0.3668 -0.3071 -0.3071 0.9307 0.9307 1.0843 1.0843 4.3078 4.3078 4.3882 4.3882 4.5030 4.5030 5.2034 5.2034 6.8554 6.8554 7.2978 7.2978 7.3959 7.3959 8.6658 8.6658 9.4316 9.4316 k = 0.4079 0.2355-0.0000 ( 6502 PWs) bands (ev): -24.8475 -24.8475 -24.8470 -24.8470 -8.5471 -8.5471 -8.5438 -8.5438 -8.2967 -8.2967 -8.2925 -8.2925 -8.2682 -8.2682 -8.2641 -8.2641 -3.7266 -3.7266 -3.7095 -3.7095 -2.4495 -2.4495 -2.4443 -2.4443 -2.1517 -2.1517 -2.1331 -2.1331 -0.8059 -0.8059 -0.7912 -0.7912 -0.6577 -0.6577 -0.6450 -0.6450 -0.3593 -0.3593 -0.3018 -0.3018 0.8373 0.8373 0.9952 0.9952 4.2877 4.2877 4.3600 4.3600 4.5552 4.5552 5.2116 5.2116 6.8335 6.8335 7.2526 7.2526 7.3802 7.3802 8.6172 8.6172 9.5056 9.5056 k = 0.4211 0.2431-0.0000 ( 6506 PWs) bands (ev): -24.8475 -24.8475 -24.8470 -24.8470 -8.5473 -8.5473 -8.5443 -8.5443 -8.2969 -8.2969 -8.2933 -8.2933 -8.2686 -8.2686 -8.2642 -8.2642 -3.7161 -3.7161 -3.6971 -3.6971 -2.4432 -2.4432 -2.4369 -2.4369 -2.1444 -2.1444 -2.1283 -2.1283 -0.7862 -0.7862 -0.7721 -0.7721 -0.6585 -0.6585 -0.6464 -0.6464 -0.3507 -0.3507 -0.2964 -0.2964 0.7521 0.7521 0.9143 0.9143 4.2655 4.2655 4.3351 4.3351 4.6106 4.6106 5.2159 5.2159 6.8133 6.8133 7.2070 7.2070 7.3721 7.3721 8.5743 8.5743 9.5794 9.5794 k = 0.4342 0.2507-0.0000 ( 6514 PWs) bands (ev): -24.8475 -24.8475 -24.8470 -24.8470 -8.5475 -8.5475 -8.5448 -8.5448 -8.2970 -8.2970 -8.2939 -8.2939 -8.2688 -8.2688 -8.2643 -8.2643 -3.7072 -3.7072 -3.6864 -3.6864 -2.4379 -2.4379 -2.4306 -2.4306 -2.1375 -2.1375 -2.1239 -2.1239 -0.7679 -0.7679 -0.7541 -0.7541 -0.6594 -0.6594 -0.6480 -0.6480 -0.3412 -0.3412 -0.2910 -0.2910 0.6760 0.6760 0.8426 0.8426 4.2449 4.2449 4.3139 4.3139 4.6644 4.6644 5.2165 5.2165 6.7949 6.7949 7.1662 7.1662 7.3671 7.3671 8.5373 8.5373 9.6520 9.6520 k = 0.4474 0.2583-0.0000 ( 6506 PWs) bands (ev): -24.8474 -24.8474 -24.8469 -24.8469 -8.5476 -8.5476 -8.5451 -8.5451 -8.2971 -8.2971 -8.2944 -8.2944 -8.2690 -8.2690 -8.2644 -8.2644 -3.7000 -3.7000 -3.6775 -3.6775 -2.4336 -2.4336 -2.4255 -2.4255 -2.1311 -2.1311 -2.1201 -2.1201 -0.7517 -0.7517 -0.7377 -0.7377 -0.6603 -0.6603 -0.6500 -0.6500 -0.3308 -0.3308 -0.2864 -0.2864 0.6106 0.6106 0.7813 0.7813 4.2273 4.2273 4.2963 4.2963 4.7138 4.7138 5.2138 5.2138 6.7789 6.7789 7.1320 7.1320 7.3636 7.3636 8.5066 8.5066 9.7224 9.7224 k = 0.4605 0.2659-0.0000 ( 6510 PWs) bands (ev): -24.8474 -24.8474 -24.8469 -24.8469 -8.5477 -8.5477 -8.5454 -8.5454 -8.2973 -8.2973 -8.2949 -8.2949 -8.2691 -8.2691 -8.2644 -8.2644 -3.6944 -3.6944 -3.6705 -3.6705 -2.4303 -2.4303 -2.4215 -2.4215 -2.1256 -2.1256 -2.1172 -2.1172 -0.7382 -0.7382 -0.7234 -0.7234 -0.6613 -0.6613 -0.6523 -0.6523 -0.3200 -0.3200 -0.2829 -0.2829 0.5573 0.5573 0.7316 0.7316 4.2133 4.2133 4.2826 4.2826 4.7566 4.7566 5.2086 5.2086 6.7656 6.7656 7.1052 7.1052 7.3610 7.3610 8.4824 8.4824 9.7886 9.7886 k = 0.4737 0.2735-0.0000 ( 6508 PWs) bands (ev): -24.8474 -24.8474 -24.8469 -24.8469 -8.5478 -8.5478 -8.5456 -8.5456 -8.2973 -8.2973 -8.2952 -8.2952 -8.2692 -8.2692 -8.2645 -8.2645 -3.6904 -3.6904 -3.6655 -3.6655 -2.4279 -2.4279 -2.4187 -2.4187 -2.1211 -2.1211 -2.1153 -2.1153 -0.7279 -0.7279 -0.7120 -0.7120 -0.6624 -0.6624 -0.6545 -0.6545 -0.3099 -0.3099 -0.2813 -0.2813 0.5176 0.5176 0.6948 0.6948 4.2030 4.2030 4.2727 4.2727 4.7900 4.7900 5.2027 5.2027 6.7557 6.7557 7.0860 7.0860 7.3593 7.3593 8.4650 8.4650 9.8470 9.8470 k = 0.4868 0.2811-0.0000 ( 6504 PWs) bands (ev): -24.8474 -24.8474 -24.8469 -24.8469 -8.5478 -8.5478 -8.5458 -8.5458 -8.2974 -8.2974 -8.2953 -8.2953 -8.2693 -8.2693 -8.2645 -8.2645 -3.6880 -3.6880 -3.6625 -3.6625 -2.4265 -2.4265 -2.4170 -2.4170 -2.1180 -2.1180 -2.1145 -2.1145 -0.7214 -0.7214 -0.7043 -0.7043 -0.6634 -0.6634 -0.6563 -0.6563 -0.3017 -0.3017 -0.2816 -0.2816 0.4931 0.4931 0.6722 0.6722 4.1969 4.1969 4.2668 4.2668 4.8117 4.8117 5.1978 5.1978 6.7495 6.7495 7.0745 7.0745 7.3583 7.3583 8.4544 8.4544 9.8903 9.8903 k = 0.5000 0.2887-0.0000 ( 6506 PWs) bands (ev): -24.8474 -24.8474 -24.8469 -24.8469 -8.5479 -8.5479 -8.5458 -8.5458 -8.2974 -8.2974 -8.2954 -8.2954 -8.2693 -8.2693 -8.2645 -8.2645 -3.6872 -3.6872 -3.6615 -3.6615 -2.4261 -2.4261 -2.4164 -2.4164 -2.1167 -2.1167 -2.1144 -2.1144 -0.7192 -0.7192 -0.7015 -0.7015 -0.6639 -0.6639 -0.6569 -0.6569 -0.2983 -0.2983 -0.2823 -0.2823 0.4848 0.4848 0.6646 0.6646 4.1948 4.1948 4.2648 4.2648 4.8192 4.8192 5.1960 5.1960 6.7474 6.7474 7.0707 7.0707 7.3580 7.3580 8.4509 8.4509 9.9070 9.9070 k = 0.5000 0.2887-0.0000 ( 6506 PWs) bands (ev): -24.8474 -24.8474 -24.8469 -24.8469 -8.5479 -8.5479 -8.5458 -8.5458 -8.2974 -8.2974 -8.2954 -8.2954 -8.2693 -8.2693 -8.2645 -8.2645 -3.6872 -3.6872 -3.6615 -3.6615 -2.4261 -2.4261 -2.4164 -2.4164 -2.1167 -2.1167 -2.1144 -2.1144 -0.7192 -0.7192 -0.7015 -0.7015 -0.6639 -0.6639 -0.6569 -0.6569 -0.2983 -0.2983 -0.2823 -0.2823 0.4848 0.4848 0.6646 0.6646 4.1948 4.1948 4.2648 4.2648 4.8192 4.8192 5.1960 5.1960 6.7474 6.7474 7.0707 7.0707 7.3580 7.3580 8.4509 8.4509 9.9070 9.9070 k = 0.4924 0.3018-0.0000 ( 6500 PWs) bands (ev): -24.8474 -24.8474 -24.8469 -24.8469 -8.5479 -8.5479 -8.5458 -8.5458 -8.2974 -8.2974 -8.2954 -8.2954 -8.2693 -8.2693 -8.2645 -8.2645 -3.6901 -3.6901 -3.6575 -3.6575 -2.4261 -2.4261 -2.4165 -2.4165 -2.1438 -2.1438 -2.0867 -2.0867 -0.7197 -0.7197 -0.7015 -0.7015 -0.6648 -0.6648 -0.6566 -0.6566 -0.3040 -0.3040 -0.2753 -0.2753 0.4852 0.4852 0.6644 0.6644 4.1859 4.1859 4.2541 4.2541 4.8204 4.8204 5.1967 5.1967 6.7595 6.7595 7.0746 7.0746 7.3695 7.3695 8.4477 8.4477 9.9092 9.9092 k = 0.4848 0.3149-0.0000 ( 6508 PWs) bands (ev): -24.8474 -24.8474 -24.8469 -24.8469 -8.5479 -8.5479 -8.5458 -8.5458 -8.2973 -8.2973 -8.2953 -8.2953 -8.2695 -8.2695 -8.2647 -8.2647 -3.6962 -3.6962 -3.6485 -3.6485 -2.4263 -2.4263 -2.4167 -2.4167 -2.1712 -2.1712 -2.0572 -2.0572 -0.7211 -0.7211 -0.7013 -0.7013 -0.6670 -0.6670 -0.6560 -0.6560 -0.3129 -0.3129 -0.2625 -0.2625 0.4863 0.4863 0.6640 0.6640 4.1592 4.1592 4.2233 4.2233 4.8239 4.8239 5.1989 5.1989 6.7939 6.7939 7.0876 7.0876 7.4037 7.4037 8.4380 8.4380 9.9156 9.9156 k = 0.4773 0.3280-0.0000 ( 6512 PWs) bands (ev): -24.8474 -24.8474 -24.8469 -24.8469 -8.5479 -8.5479 -8.5458 -8.5458 -8.2971 -8.2971 -8.2952 -8.2952 -8.2697 -8.2697 -8.2650 -8.2650 -3.7027 -3.7027 -3.6371 -3.6371 -2.4266 -2.4266 -2.4172 -2.4172 -2.1977 -2.1977 -2.0271 -2.0271 -0.7234 -0.7234 -0.7011 -0.7011 -0.6700 -0.6700 -0.6554 -0.6554 -0.3210 -0.3210 -0.2478 -0.2478 0.4882 0.4882 0.6632 0.6632 4.1145 4.1145 4.1764 4.1764 4.8296 4.8296 5.2023 5.2023 6.8442 6.8442 7.1136 7.1136 7.4589 7.4589 8.4222 8.4222 9.9262 9.9262 k = 0.4697 0.3412-0.0000 ( 6516 PWs) bands (ev): -24.8473 -24.8473 -24.8469 -24.8469 -8.5479 -8.5479 -8.5458 -8.5458 -8.2970 -8.2970 -8.2951 -8.2951 -8.2701 -8.2701 -8.2653 -8.2653 -3.7087 -3.7087 -3.6244 -3.6244 -2.4271 -2.4271 -2.4179 -2.4179 -2.2232 -2.2232 -1.9965 -1.9965 -0.7265 -0.7265 -0.7010 -0.7010 -0.6736 -0.6736 -0.6552 -0.6552 -0.3281 -0.3281 -0.2319 -0.2319 0.4908 0.4908 0.6621 0.6621 4.0520 4.0520 4.1187 4.1187 4.8374 4.8374 5.2069 5.2069 6.8999 6.8999 7.1601 7.1601 7.5331 7.5331 8.4007 8.4007 9.9410 9.9410 k = 0.4621 0.3543-0.0000 ( 6510 PWs) bands (ev): -24.8473 -24.8473 -24.8468 -24.8468 -8.5479 -8.5479 -8.5459 -8.5459 -8.2967 -8.2967 -8.2949 -8.2949 -8.2704 -8.2704 -8.2658 -8.2658 -3.7140 -3.7140 -3.6106 -3.6106 -2.4277 -2.4277 -2.4187 -2.4187 -2.2477 -2.2477 -1.9654 -1.9654 -0.7305 -0.7305 -0.7009 -0.7009 -0.6776 -0.6776 -0.6552 -0.6552 -0.3339 -0.3339 -0.2150 -0.2150 0.4940 0.4940 0.6605 0.6605 3.9739 3.9739 4.0539 4.0539 4.8472 4.8472 5.2123 5.2123 6.9494 6.9494 7.2346 7.2346 7.6237 7.6237 8.3743 8.3743 9.9600 9.9600 k = 0.4545 0.3674-0.0000 ( 6506 PWs) bands (ev): -24.8473 -24.8473 -24.8468 -24.8468 -8.5479 -8.5479 -8.5459 -8.5459 -8.2964 -8.2964 -8.2947 -8.2947 -8.2709 -8.2709 -8.2663 -8.2663 -3.7186 -3.7186 -3.5959 -3.5959 -2.4286 -2.4286 -2.4199 -2.4199 -2.2709 -2.2709 -1.9340 -1.9340 -0.7352 -0.7352 -0.7009 -0.7009 -0.6818 -0.6818 -0.6554 -0.6554 -0.3386 -0.3386 -0.1973 -0.1973 0.4976 0.4976 0.6586 0.6586 3.8842 3.8842 3.9839 3.9839 4.8587 4.8587 5.2185 5.2185 6.9883 6.9883 7.3376 7.3376 7.7282 7.7282 8.3438 8.3438 9.9832 9.9832 k = 0.4470 0.3805-0.0000 ( 6498 PWs) bands (ev): -24.8473 -24.8473 -24.8468 -24.8468 -8.5479 -8.5479 -8.5459 -8.5459 -8.2961 -8.2961 -8.2944 -8.2944 -8.2715 -8.2715 -8.2670 -8.2670 -3.7223 -3.7223 -3.5806 -3.5806 -2.4299 -2.4299 -2.4212 -2.4212 -2.2926 -2.2926 -1.9024 -1.9024 -0.7405 -0.7405 -0.7010 -0.7010 -0.6862 -0.6862 -0.6559 -0.6559 -0.3422 -0.3422 -0.1788 -0.1788 0.5014 0.5014 0.6561 0.6561 3.7873 3.7873 3.9099 3.9099 4.8720 4.8720 5.2253 5.2253 7.0198 7.0198 7.4620 7.4620 7.8438 7.8438 8.3110 8.3110 10.0104 10.0104 k = 0.4394 0.3936-0.0000 ( 6498 PWs) bands (ev): -24.8473 -24.8473 -24.8468 -24.8468 -8.5479 -8.5479 -8.5459 -8.5459 -8.2957 -8.2957 -8.2941 -8.2941 -8.2721 -8.2721 -8.2677 -8.2677 -3.7253 -3.7253 -3.5646 -3.5646 -2.4320 -2.4320 -2.4227 -2.4227 -2.3126 -2.3126 -1.8706 -1.8706 -0.7465 -0.7465 -0.7013 -0.7013 -0.6907 -0.6907 -0.6564 -0.6564 -0.3449 -0.3449 -0.1598 -0.1598 0.5054 0.5054 0.6530 0.6530 3.6863 3.6863 3.8333 3.8333 4.8870 4.8870 5.2326 5.2326 7.0476 7.0476 7.5994 7.5994 7.9669 7.9669 8.2789 8.2789 10.0416 10.0416 k = 0.4318 0.4068-0.0000 ( 6506 PWs) bands (ev): -24.8473 -24.8473 -24.8468 -24.8468 -8.5479 -8.5479 -8.5460 -8.5460 -8.2953 -8.2953 -8.2938 -8.2938 -8.2728 -8.2728 -8.2684 -8.2684 -3.7276 -3.7276 -3.5482 -3.5482 -2.4352 -2.4352 -2.4240 -2.4240 -2.3306 -2.3306 -1.8387 -1.8387 -0.7529 -0.7529 -0.7016 -0.7016 -0.6952 -0.6952 -0.6571 -0.6571 -0.3468 -0.3468 -0.1404 -0.1404 0.5092 0.5092 0.6493 0.6493 3.5840 3.5840 3.7556 3.7556 4.9035 4.9035 5.2402 5.2402 7.0743 7.0743 7.7408 7.7408 8.0898 8.0898 8.2576 8.2576 10.0765 10.0765 k = 0.4242 0.4199-0.0000 ( 6498 PWs) bands (ev): -24.8472 -24.8472 -24.8467 -24.8467 -8.5480 -8.5480 -8.5460 -8.5460 -8.2948 -8.2948 -8.2934 -8.2934 -8.2736 -8.2736 -8.2692 -8.2692 -3.7293 -3.7293 -3.5316 -3.5316 -2.4400 -2.4400 -2.4251 -2.4251 -2.3462 -2.3462 -1.8070 -1.8070 -0.7596 -0.7596 -0.7020 -0.7020 -0.6998 -0.6998 -0.6578 -0.6578 -0.3479 -0.3479 -0.1206 -0.1206 0.5125 0.5125 0.6448 0.6448 3.4826 3.4826 3.6785 3.6785 4.9215 4.9215 5.2478 5.2478 7.1010 7.1010 7.8706 7.8706 8.1775 8.1775 8.2921 8.2921 10.1148 10.1148 k = 0.4167 0.4330-0.0000 ( 6498 PWs) bands (ev): -24.8472 -24.8472 -24.8467 -24.8467 -8.5480 -8.5480 -8.5461 -8.5461 -8.2943 -8.2943 -8.2931 -8.2931 -8.2744 -8.2744 -8.2700 -8.2700 -3.7303 -3.7303 -3.5150 -3.5150 -2.4464 -2.4464 -2.4259 -2.4259 -2.3593 -2.3593 -1.7756 -1.7756 -0.7663 -0.7663 -0.7046 -0.7046 -0.7024 -0.7024 -0.6585 -0.6585 -0.3485 -0.3485 -0.1007 -0.1007 0.5151 0.5151 0.6396 0.6396 3.3837 3.3837 3.6032 3.6032 4.9408 4.9408 5.2552 5.2552 7.1283 7.1283 7.9526 7.9526 8.2347 8.2347 8.4093 8.4093 10.1542 10.1542 k = 0.4091 0.4461-0.0000 ( 6498 PWs) bands (ev): -24.8472 -24.8472 -24.8467 -24.8467 -8.5480 -8.5480 -8.5461 -8.5461 -8.2938 -8.2938 -8.2927 -8.2927 -8.2752 -8.2752 -8.2709 -8.2709 -3.7309 -3.7309 -3.4985 -3.4985 -2.4544 -2.4544 -2.4265 -2.4265 -2.3697 -2.3697 -1.7447 -1.7447 -0.7729 -0.7729 -0.7094 -0.7094 -0.7029 -0.7029 -0.6592 -0.6592 -0.3486 -0.3486 -0.0807 -0.0807 0.5167 0.5167 0.6337 0.6337 3.2890 3.2890 3.5310 3.5310 4.9615 4.9615 5.2621 5.2621 7.1565 7.1565 7.9622 7.9622 8.3438 8.3438 8.5466 8.5466 10.1569 10.1569 k = 0.4015 0.4593-0.0000 ( 6502 PWs) bands (ev): -24.8472 -24.8472 -24.8467 -24.8467 -8.5481 -8.5481 -8.5462 -8.5462 -8.2933 -8.2933 -8.2923 -8.2923 -8.2761 -8.2761 -8.2717 -8.2717 -3.7310 -3.7310 -3.4824 -3.4824 -2.4634 -2.4634 -2.4270 -2.4270 -2.3777 -2.3777 -1.7147 -1.7147 -0.7792 -0.7792 -0.7144 -0.7144 -0.7033 -0.7033 -0.6599 -0.6599 -0.3483 -0.3483 -0.0607 -0.0607 0.5170 0.5170 0.6270 0.6270 3.1997 3.1997 3.4630 3.4630 4.9834 4.9834 5.2682 5.2682 7.1858 7.1858 7.9328 7.9328 8.4839 8.4839 8.6869 8.6869 10.0852 10.0852 k = 0.3939 0.4724-0.0000 ( 6494 PWs) bands (ev): -24.8471 -24.8471 -24.8467 -24.8467 -8.5481 -8.5481 -8.5462 -8.5462 -8.2927 -8.2927 -8.2919 -8.2919 -8.2769 -8.2769 -8.2725 -8.2725 -3.7307 -3.7307 -3.4669 -3.4669 -2.4730 -2.4730 -2.4274 -2.4274 -2.3839 -2.3839 -1.6858 -1.6858 -0.7848 -0.7848 -0.7197 -0.7197 -0.7036 -0.7036 -0.6606 -0.6606 -0.3478 -0.3478 -0.0410 -0.0410 0.5157 0.5157 0.6194 0.6194 3.1171 3.1171 3.4002 3.4002 5.0062 5.0062 5.2730 5.2730 7.2160 7.2160 7.8894 7.8894 8.6289 8.6289 8.8259 8.8259 10.0108 10.0108 k = 0.3864 0.4855-0.0000 ( 6486 PWs) bands (ev): -24.8471 -24.8471 -24.8467 -24.8467 -8.5481 -8.5481 -8.5463 -8.5463 -8.2922 -8.2922 -8.2915 -8.2915 -8.2777 -8.2777 -8.2733 -8.2733 -3.7302 -3.7302 -3.4523 -3.4523 -2.4823 -2.4823 -2.4276 -2.4276 -2.3887 -2.3887 -1.6585 -1.6585 -0.7895 -0.7895 -0.7252 -0.7252 -0.7039 -0.7039 -0.6612 -0.6612 -0.3470 -0.3470 -0.0217 -0.0217 0.5128 0.5128 0.6111 0.6111 3.0421 3.0421 3.3433 3.3433 5.0299 5.0299 5.2762 5.2762 7.2473 7.2473 7.8406 7.8406 8.7671 8.7671 8.9611 8.9611 9.9423 9.9423 k = 0.3788 0.4986-0.0000 ( 6498 PWs) bands (ev): -24.8471 -24.8471 -24.8467 -24.8467 -8.5482 -8.5482 -8.5464 -8.5464 -8.2917 -8.2917 -8.2911 -8.2911 -8.2786 -8.2786 -8.2741 -8.2741 -3.7294 -3.7294 -3.4389 -3.4389 -2.4911 -2.4911 -2.4279 -2.4279 -2.3924 -2.3924 -1.6332 -1.6332 -0.7930 -0.7930 -0.7311 -0.7311 -0.7041 -0.7041 -0.6617 -0.6617 -0.3462 -0.3462 -0.0030 -0.0030 0.5084 0.5084 0.6020 0.6020 2.9758 2.9758 3.2931 3.2931 5.0541 5.0541 5.2774 5.2774 7.2794 7.2794 7.7897 7.7897 8.8912 8.8912 9.0899 9.0899 9.8816 9.8816 k = 0.3712 0.5117-0.0000 ( 6506 PWs) bands (ev): -24.8471 -24.8471 -24.8467 -24.8467 -8.5482 -8.5482 -8.5464 -8.5464 -8.2912 -8.2912 -8.2907 -8.2907 -8.2794 -8.2794 -8.2747 -8.2747 -3.7286 -3.7286 -3.4270 -3.4270 -2.4987 -2.4987 -2.4280 -2.4280 -2.3954 -2.3954 -1.6105 -1.6105 -0.7951 -0.7951 -0.7373 -0.7373 -0.7042 -0.7042 -0.6622 -0.6622 -0.3453 -0.3453 0.0147 0.0147 0.5027 0.5027 0.5923 0.5923 2.9188 2.9188 3.2501 3.2501 5.0787 5.0787 5.2762 5.2762 7.3124 7.3124 7.7383 7.7383 8.9968 8.9968 9.2083 9.2083 9.8295 9.8295 k = 0.3636 0.5249-0.0000 ( 6490 PWs) bands (ev): -24.8471 -24.8471 -24.8466 -24.8466 -8.5482 -8.5482 -8.5465 -8.5465 -8.2909 -8.2909 -8.2903 -8.2903 -8.2800 -8.2800 -8.2753 -8.2753 -3.7277 -3.7277 -3.4168 -3.4168 -2.5051 -2.5051 -2.4281 -2.4281 -2.3978 -2.3978 -1.5907 -1.5907 -0.7955 -0.7955 -0.7439 -0.7439 -0.7042 -0.7042 -0.6626 -0.6626 -0.3445 -0.3445 0.0311 0.0311 0.4963 0.4963 0.5823 0.5823 2.8717 2.8717 3.2146 3.2146 5.1033 5.1033 5.2722 5.2722 7.3463 7.3463 7.6875 7.6875 9.0814 9.0814 9.3110 9.3110 9.7869 9.7869 k = 0.3561 0.5380-0.0000 ( 6504 PWs) bands (ev): -24.8471 -24.8471 -24.8466 -24.8466 -8.5482 -8.5482 -8.5466 -8.5466 -8.2906 -8.2906 -8.2900 -8.2900 -8.2806 -8.2806 -8.2758 -8.2758 -3.7269 -3.7269 -3.4085 -3.4085 -2.5099 -2.5099 -2.4281 -2.4281 -2.3997 -2.3997 -1.5746 -1.5746 -0.7940 -0.7940 -0.7509 -0.7509 -0.7042 -0.7042 -0.6629 -0.6629 -0.3437 -0.3437 0.0454 0.0454 0.4897 0.4897 0.5725 0.5725 2.8350 2.8350 3.1869 3.1869 5.1272 5.1272 5.2655 5.2655 7.3809 7.3809 7.6384 7.6384 9.1447 9.1447 9.3927 9.3927 9.7543 9.7543 k = 0.3485 0.5511-0.0000 ( 6516 PWs) bands (ev): -24.8471 -24.8471 -24.8466 -24.8466 -8.5483 -8.5483 -8.5466 -8.5466 -8.2904 -8.2904 -8.2896 -8.2896 -8.2811 -8.2811 -8.2761 -8.2761 -3.7262 -3.7262 -3.4024 -3.4024 -2.5133 -2.5133 -2.4282 -2.4282 -2.4012 -2.4012 -1.5626 -1.5626 -0.7905 -0.7905 -0.7582 -0.7582 -0.7040 -0.7040 -0.6631 -0.6631 -0.3431 -0.3431 0.0569 0.0569 0.4838 0.4838 0.5639 0.5639 2.8088 2.8088 3.1672 3.1672 5.1497 5.1497 5.2561 5.2561 7.4159 7.4159 7.5920 7.5920 9.1875 9.1875 9.4497 9.4497 9.7320 9.7320 k = 0.3409 0.5642-0.0000 ( 6508 PWs) bands (ev): -24.8471 -24.8471 -24.8466 -24.8466 -8.5483 -8.5483 -8.5466 -8.5466 -8.2903 -8.2903 -8.2894 -8.2894 -8.2814 -8.2814 -8.2763 -8.2763 -3.7257 -3.7257 -3.3987 -3.3987 -2.5151 -2.5151 -2.4282 -2.4282 -2.4021 -2.4021 -1.5552 -1.5552 -0.7854 -0.7854 -0.7655 -0.7655 -0.7039 -0.7039 -0.6633 -0.6633 -0.3427 -0.3427 0.0646 0.0646 0.4796 0.4796 0.5575 0.5575 2.7933 2.7933 3.1554 3.1554 5.1682 5.1682 5.2459 5.2459 7.4495 7.4495 7.5510 7.5510 9.2116 9.2116 9.4818 9.4818 9.7193 9.7193 k = 0.3333 0.5774-0.0000 ( 6498 PWs) bands (ev): -24.8470 -24.8470 -24.8466 -24.8466 -8.5483 -8.5483 -8.5466 -8.5466 -8.2903 -8.2903 -8.2893 -8.2893 -8.2815 -8.2815 -8.2764 -8.2764 -3.7255 -3.7255 -3.3974 -3.3974 -2.5157 -2.5157 -2.4282 -2.4282 -2.4025 -2.4025 -1.5527 -1.5527 -0.7814 -0.7814 -0.7702 -0.7702 -0.7039 -0.7039 -0.6633 -0.6633 -0.3425 -0.3425 0.0674 0.0674 0.4780 0.4780 0.5551 0.5551 2.7882 2.7882 3.1515 3.1515 5.1767 5.1767 5.2403 5.2403 7.4691 7.4691 7.5287 7.5287 9.2191 9.2191 9.4917 9.4917 9.7152 9.7152 k = 0.3333 0.5774-0.0000 ( 6498 PWs) bands (ev): -24.8470 -24.8470 -24.8466 -24.8466 -8.5483 -8.5483 -8.5466 -8.5466 -8.2903 -8.2903 -8.2893 -8.2893 -8.2815 -8.2815 -8.2764 -8.2764 -3.7255 -3.7255 -3.3974 -3.3974 -2.5157 -2.5157 -2.4282 -2.4282 -2.4025 -2.4025 -1.5527 -1.5527 -0.7814 -0.7814 -0.7702 -0.7702 -0.7039 -0.7039 -0.6633 -0.6633 -0.3425 -0.3425 0.0674 0.0674 0.4780 0.4780 0.5551 0.5551 2.7882 2.7882 3.1515 3.1515 5.1767 5.1767 5.2403 5.2403 7.4691 7.4691 7.5287 7.5287 9.2191 9.2191 9.4917 9.4917 9.7152 9.7152 k = 0.3258 0.5642-0.0000 ( 6504 PWs) bands (ev): -24.8470 -24.8470 -24.8466 -24.8466 -8.5483 -8.5483 -8.5466 -8.5466 -8.2903 -8.2903 -8.2894 -8.2894 -8.2814 -8.2814 -8.2763 -8.2763 -3.7257 -3.7257 -3.3987 -3.3987 -2.5152 -2.5152 -2.4282 -2.4282 -2.4021 -2.4021 -1.5553 -1.5553 -0.7864 -0.7864 -0.7646 -0.7646 -0.7040 -0.7040 -0.6633 -0.6633 -0.3427 -0.3427 0.0643 0.0643 0.4799 0.4799 0.5580 0.5580 2.7932 2.7932 3.1553 3.1553 5.1672 5.1672 5.2467 5.2467 7.4504 7.4504 7.5504 7.5504 9.2124 9.2124 9.4830 9.4830 9.7193 9.7193 k = 0.3182 0.5511-0.0000 ( 6508 PWs) bands (ev): -24.8471 -24.8471 -24.8466 -24.8466 -8.5483 -8.5483 -8.5466 -8.5466 -8.2904 -8.2904 -8.2896 -8.2896 -8.2811 -8.2811 -8.2761 -8.2761 -3.7264 -3.7264 -3.4025 -3.4025 -2.5141 -2.5141 -2.4282 -2.4282 -2.4008 -2.4008 -1.5629 -1.5629 -0.7951 -0.7951 -0.7544 -0.7544 -0.7043 -0.7043 -0.6631 -0.6631 -0.3432 -0.3432 0.0548 0.0548 0.4866 0.4866 0.5677 0.5677 2.8078 2.8078 3.1666 3.1666 5.1435 5.1435 5.2608 5.2608 7.4204 7.4204 7.5897 7.5897 9.1934 9.1934 9.4589 9.4589 9.7319 9.7319 k = 0.3106 0.5380-0.0000 ( 6502 PWs) bands (ev): -24.8471 -24.8471 -24.8466 -24.8466 -8.5482 -8.5482 -8.5465 -8.5465 -8.2905 -8.2905 -8.2899 -8.2899 -8.2807 -8.2807 -8.2758 -8.2758 -3.7275 -3.7275 -3.4089 -3.4089 -2.5126 -2.5126 -2.4283 -2.4283 -2.3983 -2.3983 -1.5755 -1.5755 -0.8048 -0.8048 -0.7428 -0.7428 -0.7049 -0.7049 -0.6629 -0.6629 -0.3441 -0.3441 0.0391 0.0391 0.4988 0.4988 0.5847 0.5847 2.8314 2.8314 3.1851 3.1851 5.1116 5.1116 5.2764 5.2764 7.3924 7.3924 7.6342 7.6342 9.1644 9.1644 9.4222 9.4222 9.7535 9.7535 k = 0.3030 0.5249-0.0000 ( 6500 PWs) bands (ev): -24.8471 -24.8471 -24.8466 -24.8466 -8.5482 -8.5482 -8.5464 -8.5464 -8.2906 -8.2906 -8.2901 -8.2901 -8.2801 -8.2801 -8.2755 -8.2755 -3.7293 -3.7293 -3.4178 -3.4178 -2.5113 -2.5113 -2.4285 -2.4285 -2.3946 -2.3946 -1.5927 -1.5927 -0.8150 -0.8150 -0.7309 -0.7309 -0.7058 -0.7058 -0.6626 -0.6626 -0.3453 -0.3453 0.0176 0.0176 0.5175 0.5175 0.6093 0.6093 2.8636 2.8636 3.2104 3.2104 5.0736 5.0736 5.2907 5.2907 7.3689 7.3689 7.6822 7.6822 9.1269 9.1269 9.3756 9.3756 9.7840 9.7840 k = 0.2955 0.5117-0.0000 ( 6488 PWs) bands (ev): -24.8471 -24.8471 -24.8467 -24.8467 -8.5481 -8.5481 -8.5463 -8.5463 -8.2909 -8.2909 -8.2903 -8.2903 -8.2795 -8.2795 -8.2750 -8.2750 -3.7317 -3.7317 -3.4291 -3.4291 -2.5104 -2.5104 -2.4289 -2.4289 -2.3894 -2.3894 -1.6142 -1.6142 -0.8256 -0.8256 -0.7197 -0.7197 -0.7067 -0.7067 -0.6622 -0.6622 -0.3469 -0.3469 -0.0083 -0.0083 0.5432 0.5432 0.6412 0.6412 2.9035 2.9035 3.2423 3.2423 5.0304 5.0304 5.3028 5.3028 7.3508 7.3508 7.7334 7.7334 9.0825 9.0825 9.3215 9.3215 9.8228 9.8228 k = 0.2879 0.4986-0.0000 ( 6478 PWs) bands (ev): -24.8471 -24.8471 -24.8467 -24.8467 -8.5480 -8.5480 -8.5461 -8.5461 -8.2912 -8.2912 -8.2904 -8.2904 -8.2788 -8.2788 -8.2745 -8.2745 -3.7349 -3.7349 -3.4426 -3.4426 -2.5103 -2.5103 -2.4294 -2.4294 -2.3829 -2.3829 -1.6395 -1.6395 -0.8366 -0.8366 -0.7137 -0.7137 -0.7037 -0.7037 -0.6618 -0.6618 -0.3488 -0.3488 -0.0375 -0.0375 0.5765 0.5765 0.6801 0.6801 2.9507 2.9507 3.2803 3.2803 4.9827 4.9827 5.3120 5.3120 7.3387 7.3387 7.7877 7.7877 9.0326 9.0326 9.2621 9.2621 9.8691 9.8691 k = 0.2803 0.4855-0.0000 ( 6489 PWs) bands (ev): -24.8471 -24.8471 -24.8467 -24.8467 -8.5479 -8.5479 -8.5459 -8.5459 -8.2916 -8.2916 -8.2903 -8.2903 -8.2781 -8.2781 -8.2739 -8.2739 -3.7388 -3.7388 -3.4582 -3.4582 -2.5110 -2.5110 -2.4301 -2.4301 -2.3750 -2.3750 -1.6680 -1.6680 -0.8478 -0.8478 -0.7157 -0.7157 -0.6947 -0.6947 -0.6613 -0.6613 -0.3510 -0.3510 -0.0685 -0.0685 0.6176 0.6176 0.7256 0.7256 3.0044 3.0044 3.3241 3.3241 4.9309 4.9309 5.3179 5.3179 7.3331 7.3331 7.8451 7.8451 8.9782 8.9782 9.1988 9.1988 9.9211 9.9211 k = 0.2727 0.4724-0.0000 ( 6481 PWs) bands (ev): -24.8472 -24.8472 -24.8467 -24.8467 -8.5478 -8.5478 -8.5456 -8.5456 -8.2919 -8.2919 -8.2902 -8.2902 -8.2773 -8.2773 -8.2734 -8.2734 -3.7436 -3.7436 -3.4757 -3.4757 -2.5127 -2.5127 -2.4311 -2.4311 -2.3661 -2.3661 -1.6991 -1.6991 -0.8592 -0.8592 -0.7202 -0.7202 -0.6855 -0.6855 -0.6608 -0.6608 -0.3535 -0.3535 -0.1003 -0.1003 0.6665 0.6665 0.7772 0.7772 3.0640 3.0640 3.3733 3.3733 4.8754 4.8754 5.3202 5.3202 7.3342 7.3342 7.9054 7.9054 8.9202 8.9202 9.1330 9.1330 9.9712 9.9712 k = 0.2652 0.4593-0.0000 ( 6491 PWs) bands (ev): -24.8472 -24.8472 -24.8468 -24.8468 -8.5477 -8.5477 -8.5453 -8.5453 -8.2923 -8.2923 -8.2900 -8.2900 -8.2765 -8.2765 -8.2727 -8.2727 -3.7492 -3.7492 -3.4951 -3.4951 -2.5152 -2.5152 -2.4324 -2.4324 -2.3563 -2.3563 -1.7324 -1.7324 -0.8708 -0.8708 -0.7263 -0.7263 -0.6775 -0.6775 -0.6601 -0.6601 -0.3561 -0.3561 -0.1317 -0.1317 0.7230 0.7230 0.8347 0.8347 3.1291 3.1291 3.4277 3.4277 4.8166 4.8166 5.3188 5.3188 7.3422 7.3422 7.9685 7.9685 8.8595 8.8595 9.0658 9.0658 9.9427 9.9427 k = 0.2576 0.4461-0.0000 ( 6495 PWs) bands (ev): -24.8472 -24.8472 -24.8469 -24.8469 -8.5475 -8.5475 -8.5449 -8.5449 -8.2926 -8.2926 -8.2898 -8.2898 -8.2757 -8.2757 -8.2721 -8.2721 -3.7558 -3.7558 -3.5161 -3.5161 -2.5185 -2.5185 -2.4341 -2.4341 -2.3460 -2.3460 -1.7671 -1.7671 -0.8825 -0.8825 -0.7341 -0.7341 -0.6708 -0.6708 -0.6592 -0.6592 -0.3588 -0.3588 -0.1618 -0.1618 0.7870 0.7870 0.8980 0.8980 3.1990 3.1990 3.4868 3.4868 4.7552 4.7552 5.3136 5.3136 7.3571 7.3571 8.0340 8.0340 8.7965 8.7965 8.9982 8.9982 9.8586 9.8586 k = 0.2500 0.4330-0.0000 ( 6483 PWs) bands (ev): -24.8473 -24.8473 -24.8469 -24.8469 -8.5474 -8.5474 -8.5445 -8.5445 -8.2929 -8.2929 -8.2894 -8.2894 -8.2748 -8.2748 -8.2715 -8.2715 -3.7634 -3.7634 -3.5386 -3.5386 -2.5225 -2.5225 -2.4364 -2.4364 -2.3354 -2.3354 -1.8027 -1.8027 -0.8942 -0.8942 -0.7437 -0.7437 -0.6656 -0.6656 -0.6579 -0.6579 -0.3617 -0.3617 -0.1900 -0.1900 0.8581 0.8581 0.9668 0.9668 3.2734 3.2734 3.5502 3.5502 4.6914 4.6914 5.3047 5.3047 7.3789 7.3789 8.1012 8.1012 8.7320 8.7320 8.9311 8.9311 9.7711 9.7711 k = 0.2424 0.4199-0.0000 ( 6479 PWs) bands (ev): -24.8473 -24.8473 -24.8469 -24.8469 -8.5472 -8.5472 -8.5440 -8.5440 -8.2932 -8.2932 -8.2890 -8.2890 -8.2739 -8.2739 -8.2708 -8.2708 -3.7721 -3.7721 -3.5624 -3.5624 -2.5270 -2.5270 -2.4391 -2.4391 -2.3247 -2.3247 -1.8385 -1.8385 -0.9059 -0.9059 -0.7552 -0.7552 -0.6622 -0.6622 -0.6557 -0.6557 -0.3647 -0.3647 -0.2157 -0.2157 0.9358 0.9358 1.0410 1.0410 3.3517 3.3517 3.6177 3.6177 4.6259 4.6259 5.2924 5.2924 7.4075 7.4075 8.1689 8.1689 8.6661 8.6661 8.8660 8.8660 9.6842 9.6842 k = 0.2348 0.4068-0.0000 ( 6485 PWs) bands (ev): -24.8474 -24.8474 -24.8470 -24.8470 -8.5470 -8.5470 -8.5435 -8.5435 -8.2934 -8.2934 -8.2884 -8.2884 -8.2730 -8.2730 -8.2702 -8.2702 -3.7818 -3.7818 -3.5874 -3.5874 -2.5321 -2.5321 -2.4426 -2.4426 -2.3141 -2.3141 -1.8742 -1.8742 -0.9176 -0.9176 -0.7685 -0.7685 -0.6602 -0.6602 -0.6530 -0.6530 -0.3679 -0.3679 -0.2385 -0.2385 1.0198 1.0198 1.1207 1.1207 3.4335 3.4335 3.6887 3.6887 4.5592 4.5592 5.2768 5.2768 7.4424 7.4424 8.2351 8.2351 8.5993 8.5993 8.8050 8.8050 9.5985 9.5985 k = 0.2273 0.3936-0.0000 ( 6493 PWs) bands (ev): -24.8475 -24.8475 -24.8471 -24.8471 -8.5468 -8.5468 -8.5429 -8.5429 -8.2937 -8.2937 -8.2878 -8.2878 -8.2721 -8.2721 -8.2695 -8.2695 -3.7925 -3.7925 -3.6134 -3.6134 -2.5376 -2.5376 -2.4468 -2.4468 -2.3038 -2.3038 -1.9090 -1.9090 -0.9293 -0.9293 -0.7837 -0.7837 -0.6588 -0.6588 -0.6503 -0.6503 -0.3712 -0.3712 -0.2582 -0.2582 1.1097 1.1097 1.2057 1.2057 3.5185 3.5185 3.7627 3.7627 4.4919 4.4919 5.2583 5.2583 7.4834 7.4834 8.2954 8.2954 8.5319 8.5319 8.7525 8.7525 9.5145 9.5145 k = 0.2197 0.3805-0.0000 ( 6495 PWs) bands (ev): -24.8476 -24.8476 -24.8471 -24.8471 -8.5465 -8.5465 -8.5423 -8.5423 -8.2939 -8.2939 -8.2871 -8.2871 -8.2711 -8.2711 -8.2688 -8.2688 -3.8045 -3.8045 -3.6402 -3.6402 -2.5434 -2.5434 -2.4519 -2.4519 -2.2939 -2.2939 -1.9425 -1.9425 -0.9408 -0.9408 -0.8006 -0.8006 -0.6576 -0.6576 -0.6480 -0.6480 -0.3746 -0.3746 -0.2749 -0.2749 1.2050 1.2050 1.2960 1.2960 3.6062 3.6062 3.8390 3.8390 4.4250 4.4250 5.2372 5.2372 7.5299 7.5299 8.3410 8.3410 8.4643 8.4643 8.7168 8.7168 9.4325 9.4325 k = 0.2121 0.3674-0.0000 ( 6479 PWs) bands (ev): -24.8476 -24.8476 -24.8472 -24.8472 -8.5463 -8.5463 -8.5416 -8.5416 -8.2941 -8.2941 -8.2863 -8.2863 -8.2701 -8.2701 -8.2681 -8.2681 -3.8175 -3.8175 -3.6676 -3.6676 -2.5495 -2.5495 -2.4579 -2.4579 -2.2844 -2.2844 -1.9743 -1.9743 -0.9523 -0.9523 -0.8187 -0.8187 -0.6563 -0.6563 -0.6460 -0.6460 -0.3782 -0.3782 -0.2887 -0.2887 1.3052 1.3052 1.3915 1.3915 3.6963 3.6963 3.9162 3.9162 4.3598 4.3598 5.2139 5.2139 7.5813 7.5813 8.3569 8.3569 8.3988 8.3988 8.7109 8.7109 9.3526 9.3526 k = 0.2045 0.3543-0.0000 ( 6491 PWs) bands (ev): -24.8477 -24.8477 -24.8473 -24.8473 -8.5461 -8.5461 -8.5408 -8.5408 -8.2943 -8.2943 -8.2855 -8.2855 -8.2691 -8.2691 -8.2675 -8.2675 -3.8318 -3.8318 -3.6956 -3.6956 -2.5558 -2.5558 -2.4650 -2.4650 -2.2755 -2.2755 -2.0040 -2.0040 -0.9636 -0.9636 -0.8380 -0.8380 -0.6549 -0.6549 -0.6444 -0.6444 -0.3818 -0.3818 -0.2999 -0.2999 1.4101 1.4101 1.4923 1.4923 3.7884 3.7884 3.9906 3.9906 4.3000 4.3000 5.1888 5.1888 7.6367 7.6367 8.3196 8.3196 8.3525 8.3525 8.7411 8.7411 9.2750 9.2750 k = 0.1970 0.3412-0.0000 ( 6497 PWs) bands (ev): -24.8478 -24.8478 -24.8474 -24.8474 -8.5458 -8.5458 -8.5401 -8.5401 -8.2944 -8.2944 -8.2846 -8.2846 -8.2681 -8.2681 -8.2668 -8.2668 -3.8472 -3.8472 -3.7237 -3.7237 -2.5623 -2.5623 -2.4731 -2.4731 -2.2672 -2.2672 -2.0313 -2.0313 -0.9747 -0.9747 -0.8579 -0.8579 -0.6534 -0.6534 -0.6430 -0.6430 -0.3854 -0.3854 -0.3087 -0.3087 1.5192 1.5192 1.5983 1.5983 3.8820 3.8820 4.0505 4.0505 4.2576 4.2576 5.1624 5.1624 7.6948 7.6948 8.2542 8.2542 8.3103 8.3103 8.7978 8.7978 9.1998 9.1998 k = 0.1894 0.3280-0.0000 ( 6505 PWs) bands (ev): -24.8479 -24.8479 -24.8474 -24.8474 -8.5456 -8.5456 -8.5393 -8.5393 -8.2946 -8.2946 -8.2836 -8.2836 -8.2671 -8.2671 -8.2660 -8.2660 -3.8639 -3.8639 -3.7519 -3.7519 -2.5688 -2.5688 -2.4823 -2.4823 -2.2594 -2.2594 -2.0559 -2.0559 -0.9857 -0.9857 -0.8782 -0.8782 -0.6518 -0.6518 -0.6418 -0.6418 -0.3890 -0.3890 -0.3157 -0.3157 1.6323 1.6323 1.7093 1.7093 3.9760 3.9760 4.0647 4.0647 4.2644 4.2644 5.1349 5.1349 7.7530 7.7530 8.1878 8.1878 8.2587 8.2587 8.8682 8.8682 9.1277 9.1277 k = 0.1818 0.3149-0.0000 ( 6513 PWs) bands (ev): -24.8480 -24.8480 -24.8475 -24.8475 -8.5454 -8.5454 -8.5385 -8.5385 -8.2948 -8.2948 -8.2826 -8.2826 -8.2661 -8.2661 -8.2652 -8.2652 -3.8819 -3.8819 -3.7799 -3.7799 -2.5755 -2.5755 -2.4926 -2.4926 -2.2522 -2.2522 -2.0778 -2.0778 -0.9964 -0.9964 -0.8986 -0.8986 -0.6501 -0.6501 -0.6406 -0.6406 -0.3923 -0.3923 -0.3211 -0.3211 1.7491 1.7491 1.8252 1.8252 4.0201 4.0201 4.0792 4.0792 4.3242 4.3242 5.1070 5.1070 7.8059 7.8059 8.1239 8.1239 8.2060 8.2060 8.9414 8.9414 9.0611 9.0611 k = 0.1742 0.3018-0.0000 ( 6517 PWs) bands (ev): -24.8481 -24.8481 -24.8476 -24.8476 -8.5452 -8.5452 -8.5377 -8.5377 -8.2949 -8.2949 -8.2815 -8.2815 -8.2652 -8.2652 -8.2643 -8.2643 -3.9012 -3.9012 -3.8073 -3.8073 -2.5822 -2.5822 -2.5038 -2.5038 -2.2457 -2.2457 -2.0969 -2.0969 -1.0070 -1.0070 -0.9188 -0.9188 -0.6482 -0.6482 -0.6396 -0.6396 -0.3955 -0.3955 -0.3252 -0.3252 1.8694 1.8694 1.9459 1.9459 3.9668 3.9668 4.1734 4.1734 4.4047 4.4047 5.0790 5.0790 7.8410 7.8410 8.0646 8.0646 8.1651 8.1651 8.9695 8.9695 9.0421 9.0421 k = 0.1667 0.2887-0.0000 ( 6521 PWs) bands (ev): -24.8482 -24.8482 -24.8477 -24.8477 -8.5449 -8.5449 -8.5368 -8.5368 -8.2951 -8.2951 -8.2804 -8.2804 -8.2644 -8.2644 -8.2633 -8.2633 -3.9218 -3.9218 -3.8340 -3.8340 -2.5889 -2.5889 -2.5158 -2.5158 -2.2398 -2.2398 -2.1133 -2.1133 -1.0173 -1.0173 -0.9387 -0.9387 -0.6462 -0.6462 -0.6385 -0.6385 -0.3984 -0.3984 -0.3284 -0.3284 1.9931 1.9931 2.0709 2.0709 3.9059 3.9059 4.2706 4.2706 4.4918 4.4918 5.0516 5.0516 7.8395 7.8395 8.0069 8.0069 8.1591 8.1591 8.9140 8.9140 9.1021 9.1021 k = 0.1591 0.2756-0.0000 ( 6521 PWs) bands (ev): -24.8483 -24.8483 -24.8478 -24.8478 -8.5447 -8.5447 -8.5359 -8.5359 -8.2952 -8.2952 -8.2793 -8.2793 -8.2635 -8.2635 -8.2622 -8.2622 -3.9437 -3.9437 -3.8597 -3.8597 -2.5955 -2.5955 -2.5283 -2.5283 -2.2345 -2.2345 -2.1270 -2.1270 -1.0274 -1.0274 -0.9579 -0.9579 -0.6442 -0.6442 -0.6375 -0.6375 -0.4010 -0.4010 -0.3308 -0.3308 2.1201 2.1201 2.2002 2.2002 3.8438 3.8438 4.3682 4.3682 4.5807 4.5807 5.0256 5.0256 7.7996 7.7996 7.9436 7.9436 8.1968 8.1968 8.8525 8.8525 9.1515 9.1515 k = 0.1515 0.2624-0.0000 ( 6527 PWs) bands (ev): -24.8484 -24.8484 -24.8479 -24.8479 -8.5446 -8.5446 -8.5350 -8.5350 -8.2954 -8.2954 -8.2782 -8.2782 -8.2627 -8.2627 -8.2610 -8.2610 -3.9668 -3.9668 -3.8843 -3.8843 -2.6021 -2.6021 -2.5412 -2.5412 -2.2298 -2.2298 -2.1383 -2.1383 -1.0372 -1.0372 -0.9764 -0.9764 -0.6420 -0.6420 -0.6364 -0.6364 -0.4034 -0.4034 -0.3326 -0.3326 2.2502 2.2502 2.3333 2.3333 3.7821 3.7821 4.4654 4.4654 4.6685 4.6685 5.0027 5.0027 7.7384 7.7384 7.8740 7.8740 8.2613 8.2613 8.7928 8.7928 9.1726 9.1726 k = 0.1439 0.2493-0.0000 ( 6523 PWs) bands (ev): -24.8485 -24.8485 -24.8480 -24.8480 -8.5444 -8.5444 -8.5342 -8.5342 -8.2955 -8.2955 -8.2771 -8.2771 -8.2619 -8.2619 -8.2598 -8.2598 -3.9908 -3.9908 -3.9077 -3.9077 -2.6085 -2.6085 -2.5541 -2.5541 -2.2258 -2.2258 -2.1474 -2.1474 -1.0467 -1.0467 -0.9940 -0.9940 -0.6399 -0.6399 -0.6352 -0.6352 -0.4055 -0.4055 -0.3340 -0.3340 2.3836 2.3836 2.4699 2.4699 3.7216 3.7216 4.5616 4.5616 4.7507 4.7507 4.9871 4.9871 7.6674 7.6674 7.8000 7.8000 8.3384 8.3384 8.7362 8.7362 9.1729 9.1729 k = 0.1364 0.2362-0.0000 ( 6525 PWs) bands (ev): -24.8486 -24.8486 -24.8481 -24.8481 -8.5442 -8.5442 -8.5333 -8.5333 -8.2956 -8.2956 -8.2760 -8.2760 -8.2611 -8.2611 -8.2586 -8.2586 -4.0155 -4.0155 -3.9300 -3.9300 -2.6149 -2.6149 -2.5670 -2.5670 -2.2224 -2.2224 -2.1545 -2.1545 -1.0559 -1.0559 -1.0108 -1.0108 -0.6377 -0.6377 -0.6339 -0.6339 -0.4074 -0.4074 -0.3350 -0.3350 2.5199 2.5199 2.6098 2.6098 3.6628 3.6628 4.6554 4.6554 4.8163 4.8163 4.9900 4.9900 7.5911 7.5911 7.7224 7.7224 8.4201 8.4201 8.6849 8.6849 9.1666 9.1666 k = 0.1288 0.2231-0.0000 ( 6529 PWs) bands (ev): -24.8487 -24.8487 -24.8482 -24.8482 -8.5441 -8.5441 -8.5324 -8.5324 -8.2958 -8.2958 -8.2750 -8.2750 -8.2601 -8.2601 -8.2574 -8.2574 -4.0405 -4.0405 -3.9511 -3.9511 -2.6210 -2.6210 -2.5795 -2.5795 -2.2197 -2.2197 -2.1597 -2.1597 -1.0647 -1.0647 -1.0266 -1.0266 -0.6358 -0.6358 -0.6323 -0.6323 -0.4092 -0.4092 -0.3356 -0.3356 2.6592 2.6592 2.7526 2.7526 3.6059 3.6059 4.7420 4.7420 4.8516 4.8516 5.0291 5.0291 7.5112 7.5112 7.6415 7.6415 8.4957 8.4957 8.6468 8.6468 9.1620 9.1620 k = 0.1212 0.2099-0.0000 ( 6533 PWs) bands (ev): -24.8488 -24.8488 -24.8483 -24.8483 -8.5440 -8.5440 -8.5316 -8.5316 -8.2959 -8.2959 -8.2740 -8.2740 -8.2592 -8.2592 -8.2562 -8.2562 -4.0656 -4.0656 -3.9713 -3.9713 -2.6270 -2.6270 -2.5916 -2.5916 -2.2175 -2.2175 -2.1634 -2.1634 -1.0732 -1.0732 -1.0414 -1.0414 -0.6340 -0.6340 -0.6305 -0.6305 -0.4108 -0.4108 -0.3361 -0.3361 2.8012 2.8012 2.8980 2.8980 3.5513 3.5513 4.7970 4.7970 4.8866 4.8866 5.0979 5.0979 7.4283 7.4283 7.5573 7.5573 8.5251 8.5251 8.6604 8.6604 9.1628 9.1628 k = 0.1136 0.1968-0.0000 ( 6533 PWs) bands (ev): -24.8489 -24.8489 -24.8483 -24.8483 -8.5439 -8.5439 -8.5308 -8.5308 -8.2961 -8.2961 -8.2732 -8.2732 -8.2582 -8.2582 -8.2550 -8.2550 -4.0902 -4.0902 -3.9905 -3.9905 -2.6328 -2.6328 -2.6031 -2.6031 -2.2160 -2.2160 -2.1658 -2.1658 -1.0814 -1.0814 -1.0552 -1.0552 -0.6326 -0.6326 -0.6283 -0.6283 -0.4122 -0.4122 -0.3363 -0.3363 2.9458 2.9458 3.0456 3.0456 3.4993 3.4993 4.7997 4.7997 4.9599 4.9599 5.1774 5.1774 7.3426 7.3426 7.4698 7.4698 8.4977 8.4977 8.7346 8.7346 9.1716 9.1716 k = 0.1061 0.1837-0.0000 ( 6539 PWs) bands (ev): -24.8489 -24.8489 -24.8484 -24.8484 -8.5439 -8.5439 -8.5300 -8.5300 -8.2962 -8.2962 -8.2724 -8.2724 -8.2572 -8.2572 -8.2539 -8.2539 -4.1143 -4.1143 -4.0087 -4.0087 -2.6384 -2.6384 -2.6138 -2.6138 -2.2149 -2.2149 -2.1672 -2.1672 -1.0892 -1.0892 -1.0679 -1.0679 -0.6313 -0.6313 -0.6260 -0.6260 -0.4135 -0.4135 -0.3363 -0.3363 3.0927 3.0927 3.1947 3.1947 3.4505 3.4505 4.7852 4.7852 5.0441 5.0441 5.2589 5.2589 7.2541 7.2541 7.3788 7.3788 8.4578 8.4578 8.8237 8.8237 9.1903 9.1903 k = 0.0985 0.1706-0.0000 ( 6539 PWs) bands (ev): -24.8490 -24.8490 -24.8485 -24.8485 -8.5438 -8.5438 -8.5292 -8.5292 -8.2963 -8.2963 -8.2716 -8.2716 -8.2561 -8.2561 -8.2527 -8.2527 -4.1375 -4.1375 -4.0260 -4.0260 -2.6437 -2.6437 -2.6238 -2.6238 -2.2141 -2.2141 -2.1677 -2.1677 -1.0966 -1.0966 -1.0796 -1.0796 -0.6301 -0.6301 -0.6236 -0.6236 -0.4147 -0.4147 -0.3363 -0.3363 3.2418 3.2418 3.3399 3.3399 3.4103 3.4103 4.7669 4.7669 5.1280 5.1280 5.3392 5.3392 7.1624 7.1624 7.2844 7.2844 8.4169 8.4169 8.9134 8.9134 9.2213 9.2213 k = 0.0909 0.1575-0.0000 ( 6537 PWs) bands (ev): -24.8491 -24.8491 -24.8486 -24.8486 -8.5438 -8.5438 -8.5285 -8.5285 -8.2965 -8.2965 -8.2710 -8.2710 -8.2551 -8.2551 -8.2516 -8.2516 -4.1597 -4.1597 -4.0423 -4.0423 -2.6487 -2.6487 -2.6330 -2.6330 -2.2136 -2.2136 -2.1675 -2.1675 -1.1036 -1.1036 -1.0902 -1.0902 -0.6290 -0.6290 -0.6212 -0.6212 -0.4158 -0.4158 -0.3361 -0.3361 3.3526 3.3526 3.3940 3.3940 3.5056 3.5056 4.7478 4.7478 5.2090 5.2090 5.4165 5.4165 7.0673 7.0673 7.1868 7.1868 8.3776 8.3776 8.9982 8.9982 9.2673 9.2673 k = 0.0833 0.1443-0.0000 ( 6541 PWs) bands (ev): -24.8492 -24.8492 -24.8486 -24.8486 -8.5438 -8.5438 -8.5278 -8.5278 -8.2966 -8.2966 -8.2704 -8.2704 -8.2540 -8.2540 -8.2506 -8.2506 -4.1807 -4.1807 -4.0576 -4.0576 -2.6536 -2.6536 -2.6413 -2.6413 -2.2133 -2.2133 -2.1670 -2.1670 -1.1103 -1.1103 -1.0998 -1.0998 -0.6279 -0.6279 -0.6188 -0.6188 -0.4168 -0.4168 -0.3358 -0.3358 3.3143 3.3143 3.5460 3.5460 3.6577 3.6577 4.7292 4.7292 5.2858 5.2858 5.4898 5.4898 6.9685 6.9685 7.0861 7.0861 8.3405 8.3405 9.0743 9.0743 9.3297 9.3297 k = 0.0758 0.1312-0.0000 ( 6537 PWs) bands (ev): -24.8492 -24.8492 -24.8487 -24.8487 -8.5438 -8.5438 -8.5272 -8.5272 -8.2967 -8.2967 -8.2699 -8.2699 -8.2529 -8.2529 -8.2496 -8.2496 -4.2003 -4.2003 -4.0718 -4.0718 -2.6581 -2.6581 -2.6487 -2.6487 -2.2131 -2.2131 -2.1663 -2.1663 -1.1167 -1.1167 -1.1081 -1.1081 -0.6269 -0.6269 -0.6165 -0.6165 -0.4178 -0.4178 -0.3355 -0.3355 3.2770 3.2770 3.6998 3.6998 3.8119 3.8119 4.7115 4.7115 5.3574 5.3574 5.5579 5.5579 6.8659 6.8659 6.9829 6.9829 8.3060 8.3060 9.1411 9.1411 9.4026 9.4026 k = 0.0682 0.1181-0.0000 ( 6533 PWs) bands (ev): -24.8493 -24.8493 -24.8488 -24.8488 -8.5438 -8.5438 -8.5266 -8.5266 -8.2968 -8.2968 -8.2695 -8.2695 -8.2519 -8.2519 -8.2487 -8.2487 -4.2183 -4.2183 -4.0848 -4.0848 -2.6625 -2.6625 -2.6551 -2.6551 -2.2129 -2.2129 -2.1653 -2.1653 -1.1230 -1.1230 -1.1153 -1.1153 -0.6260 -0.6260 -0.6144 -0.6144 -0.4186 -0.4186 -0.3352 -0.3352 3.2426 3.2426 3.8546 3.8546 3.9664 3.9664 4.6952 4.6952 5.4228 5.4228 5.6198 5.6198 6.7593 6.7593 6.8781 6.8781 8.2743 8.2743 9.1997 9.1997 9.4356 9.4356 k = 0.0606 0.1050-0.0000 ( 6545 PWs) bands (ev): -24.8494 -24.8494 -24.8488 -24.8488 -8.5438 -8.5438 -8.5261 -8.5261 -8.2969 -8.2969 -8.2691 -8.2691 -8.2510 -8.2510 -8.2478 -8.2478 -4.2348 -4.2348 -4.0967 -4.0967 -2.6667 -2.6667 -2.6606 -2.6606 -2.2128 -2.2128 -2.1644 -2.1644 -1.1289 -1.1289 -1.1213 -1.1213 -0.6251 -0.6251 -0.6124 -0.6124 -0.4193 -0.4193 -0.3348 -0.3348 3.2115 3.2115 4.0096 4.0096 4.1203 4.1203 4.6803 4.6803 5.4808 5.4808 5.6744 5.6744 6.6494 6.6494 6.7727 6.7727 8.2455 8.2455 9.2485 9.2485 9.4125 9.4125 k = 0.0530 0.0919-0.0000 ( 6553 PWs) bands (ev): -24.8495 -24.8495 -24.8489 -24.8489 -8.5438 -8.5438 -8.5256 -8.5256 -8.2970 -8.2970 -8.2688 -8.2688 -8.2501 -8.2501 -8.2471 -8.2471 -4.2496 -4.2496 -4.1073 -4.1073 -2.6708 -2.6708 -2.6650 -2.6650 -2.2127 -2.2127 -2.1634 -2.1634 -1.1344 -1.1344 -1.1263 -1.1263 -0.6244 -0.6244 -0.6105 -0.6105 -0.4200 -0.4200 -0.3345 -0.3345 3.1838 3.1838 4.1643 4.1643 4.2726 4.2726 4.6671 4.6671 5.5301 5.5301 5.7200 5.7200 6.5372 6.5372 6.6684 6.6684 8.2197 8.2197 9.2736 9.2736 9.4021 9.4021 k = 0.0455 0.0787-0.0000 ( 6559 PWs) bands (ev): -24.8495 -24.8495 -24.8490 -24.8490 -8.5438 -8.5438 -8.5252 -8.5252 -8.2971 -8.2971 -8.2686 -8.2686 -8.2493 -8.2493 -8.2464 -8.2464 -4.2625 -4.2625 -4.1165 -4.1165 -2.6745 -2.6745 -2.6686 -2.6686 -2.2125 -2.2125 -2.1625 -2.1625 -1.1394 -1.1394 -1.1304 -1.1304 -0.6237 -0.6237 -0.6088 -0.6088 -0.4205 -0.4205 -0.3341 -0.3341 3.1596 3.1596 4.3177 4.3177 4.4217 4.4217 4.6562 4.6562 5.5691 5.5691 5.7545 5.7545 6.4247 6.4247 6.5677 6.5677 8.1971 8.1971 9.2605 9.2605 9.4244 9.4244 k = 0.0379 0.0656-0.0000 ( 6557 PWs) bands (ev): -24.8496 -24.8496 -24.8490 -24.8490 -8.5439 -8.5439 -8.5249 -8.5249 -8.2971 -8.2971 -8.2683 -8.2683 -8.2486 -8.2486 -8.2458 -8.2458 -4.2736 -4.2736 -4.1245 -4.1245 -2.6778 -2.6778 -2.6715 -2.6715 -2.2124 -2.2124 -2.1617 -2.1617 -1.1436 -1.1436 -1.1338 -1.1338 -0.6231 -0.6231 -0.6074 -0.6074 -0.4210 -0.4210 -0.3338 -0.3338 3.1389 3.1389 4.4683 4.4683 4.5633 4.5633 4.6504 4.6504 5.5950 5.5950 5.7751 5.7751 6.3153 6.3153 6.4745 6.4745 8.1777 8.1777 9.2281 9.2281 9.4554 9.4554 k = 0.0303 0.0525-0.0000 ( 6553 PWs) bands (ev): -24.8496 -24.8496 -24.8490 -24.8490 -8.5439 -8.5439 -8.5246 -8.5246 -8.2972 -8.2972 -8.2682 -8.2682 -8.2480 -8.2480 -8.2453 -8.2453 -4.2828 -4.2828 -4.1310 -4.1310 -2.6806 -2.6806 -2.6738 -2.6738 -2.2123 -2.2123 -2.1610 -2.1610 -1.1471 -1.1471 -1.1366 -1.1366 -0.6226 -0.6226 -0.6062 -0.6062 -0.4214 -0.4214 -0.3335 -0.3335 3.1220 3.1220 4.6122 4.6122 4.6310 4.6310 4.7154 4.7154 5.6041 5.6041 5.7786 5.7786 6.2142 6.2142 6.3939 6.3939 8.1617 8.1617 9.1932 9.1932 9.4648 9.4648 k = 0.0227 0.0394-0.0000 ( 6553 PWs) bands (ev): -24.8496 -24.8496 -24.8491 -24.8491 -8.5439 -8.5439 -8.5243 -8.5243 -8.2972 -8.2972 -8.2680 -8.2680 -8.2475 -8.2475 -8.2449 -8.2449 -4.2899 -4.2899 -4.1361 -4.1361 -2.6828 -2.6828 -2.6755 -2.6755 -2.2122 -2.2122 -2.1604 -2.1604 -1.1499 -1.1499 -1.1388 -1.1388 -0.6222 -0.6222 -0.6052 -0.6052 -0.4217 -0.4217 -0.3333 -0.3333 3.1087 3.1087 4.6257 4.6257 4.7529 4.7529 4.8392 4.8392 5.5922 5.5922 5.7640 5.7640 6.1286 6.1286 6.3314 6.3314 8.1492 8.1492 9.1624 9.1624 9.4539 9.4539 k = 0.0152 0.0262-0.0000 ( 6545 PWs) bands (ev): -24.8496 -24.8496 -24.8491 -24.8491 -8.5439 -8.5439 -8.5242 -8.5242 -8.2973 -8.2973 -8.2679 -8.2679 -8.2472 -8.2472 -8.2446 -8.2446 -4.2951 -4.2951 -4.1398 -4.1398 -2.6843 -2.6843 -2.6768 -2.6768 -2.2122 -2.2122 -2.1600 -2.1600 -1.1518 -1.1518 -1.1403 -1.1403 -0.6219 -0.6219 -0.6045 -0.6045 -0.4220 -0.4220 -0.3331 -0.3331 3.0992 3.0992 4.6220 4.6220 4.8753 4.8753 4.9477 4.9477 5.5590 5.5590 5.7352 5.7352 6.0659 6.0659 6.2897 6.2897 8.1401 8.1401 9.1388 9.1388 9.4413 9.4413 k = 0.0076 0.0131-0.0000 ( 6525 PWs) bands (ev): -24.8496 -24.8496 -24.8491 -24.8491 -8.5439 -8.5439 -8.5241 -8.5241 -8.2973 -8.2973 -8.2679 -8.2679 -8.2470 -8.2470 -8.2444 -8.2444 -4.2982 -4.2982 -4.1420 -4.1420 -2.6853 -2.6853 -2.6775 -2.6775 -2.2121 -2.2121 -2.1597 -2.1597 -1.1530 -1.1530 -1.1412 -1.1412 -0.6218 -0.6218 -0.6041 -0.6041 -0.4221 -0.4221 -0.3330 -0.3330 3.0935 3.0935 4.6195 4.6195 4.9680 4.9680 5.0253 5.0253 5.5176 5.5176 5.7043 5.7043 6.0296 6.0296 6.2671 6.2671 8.1347 8.1347 9.1241 9.1241 9.4329 9.4329 k = 0.0000 0.0000 0.0000 ( 6545 PWs) bands (ev): -24.8496 -24.8496 -24.8491 -24.8491 -8.5439 -8.5439 -8.5240 -8.5240 -8.2973 -8.2973 -8.2679 -8.2679 -8.2469 -8.2469 -8.2444 -8.2444 -4.2992 -4.2992 -4.1428 -4.1428 -2.6856 -2.6856 -2.6777 -2.6777 -2.2121 -2.2121 -2.1597 -2.1597 -1.1534 -1.1534 -1.1415 -1.1415 -0.6217 -0.6217 -0.6040 -0.6040 -0.4221 -0.4221 -0.3330 -0.3330 3.0916 3.0916 4.6186 4.6186 5.0048 5.0048 5.0544 5.0544 5.4971 5.4971 5.6904 5.6904 6.0181 6.0181 6.2601 6.2601 8.1328 8.1328 9.1191 9.1191 9.4300 9.4300 k = 0.0000 0.0000 0.0000 ( 6545 PWs) bands (ev): -24.8496 -24.8496 -24.8491 -24.8491 -8.5439 -8.5439 -8.5240 -8.5240 -8.2973 -8.2973 -8.2679 -8.2679 -8.2469 -8.2469 -8.2444 -8.2444 -4.2992 -4.2992 -4.1428 -4.1428 -2.6856 -2.6856 -2.6777 -2.6777 -2.2121 -2.2121 -2.1597 -2.1597 -1.1534 -1.1534 -1.1415 -1.1415 -0.6217 -0.6217 -0.6040 -0.6040 -0.4221 -0.4221 -0.3330 -0.3330 3.0916 3.0916 4.6186 4.6186 5.0048 5.0048 5.0544 5.0544 5.4971 5.4971 5.6904 5.6904 6.0181 6.0181 6.2601 6.2601 8.1328 8.1328 9.1191 9.1191 9.4300 9.4300 k = 0.0000 0.0000 0.0146 ( 6527 PWs) bands (ev): -24.8496 -24.8496 -24.8491 -24.8491 -8.5439 -8.5439 -8.5241 -8.5241 -8.2972 -8.2972 -8.2679 -8.2679 -8.2469 -8.2469 -8.2444 -8.2444 -4.2988 -4.2988 -4.1432 -4.1432 -2.6855 -2.6855 -2.6778 -2.6778 -2.2120 -2.2120 -2.1598 -2.1598 -1.1534 -1.1534 -1.1415 -1.1415 -0.6217 -0.6217 -0.6040 -0.6040 -0.4220 -0.4220 -0.3333 -0.3333 3.0943 3.0943 4.6118 4.6118 5.0052 5.0052 5.0562 5.0562 5.4975 5.4975 5.6899 5.6899 6.0186 6.0186 6.2594 6.2594 8.1387 8.1387 9.1201 9.1201 9.4312 9.4312 k = 0.0000 0.0000 0.0292 ( 6509 PWs) bands (ev): -24.8496 -24.8496 -24.8490 -24.8490 -8.5437 -8.5437 -8.5242 -8.5242 -8.2970 -8.2970 -8.2682 -8.2682 -8.2469 -8.2469 -8.2444 -8.2444 -4.2977 -4.2977 -4.1443 -4.1443 -2.6855 -2.6855 -2.6778 -2.6778 -2.2117 -2.2117 -2.1602 -2.1602 -1.1533 -1.1533 -1.1416 -1.1416 -0.6215 -0.6215 -0.6042 -0.6042 -0.4215 -0.4215 -0.3341 -0.3341 3.1025 3.1025 4.5918 4.5918 5.0063 5.0063 5.0613 5.0613 5.4988 5.4988 5.6882 5.6882 6.0202 6.0202 6.2575 6.2575 8.1563 8.1563 9.1230 9.1230 9.4349 9.4349 k = 0.0000 0.0000 0.0439 ( 6509 PWs) bands (ev): -24.8496 -24.8496 -24.8490 -24.8490 -8.5434 -8.5434 -8.5244 -8.5244 -8.2967 -8.2967 -8.2686 -8.2686 -8.2469 -8.2469 -8.2444 -8.2444 -4.2958 -4.2958 -4.1461 -4.1461 -2.6854 -2.6854 -2.6779 -2.6779 -2.2111 -2.2111 -2.1609 -2.1609 -1.1531 -1.1531 -1.1417 -1.1417 -0.6213 -0.6213 -0.6044 -0.6044 -0.4206 -0.4206 -0.3354 -0.3354 3.1162 3.1162 4.5600 4.5600 5.0082 5.0082 5.0685 5.0685 5.5009 5.5009 5.6855 5.6855 6.0228 6.0228 6.2543 6.2543 8.1852 8.1852 9.1280 9.1280 9.4409 9.4409 k = 0.0000 0.0000 0.0585 ( 6491 PWs) bands (ev): -24.8495 -24.8495 -24.8490 -24.8490 -8.5430 -8.5430 -8.5247 -8.5247 -8.2962 -8.2962 -8.2691 -8.2691 -8.2468 -8.2468 -8.2445 -8.2445 -4.2933 -4.2933 -4.1487 -4.1487 -2.6853 -2.6853 -2.6780 -2.6780 -2.2104 -2.2104 -2.1619 -2.1619 -1.1529 -1.1529 -1.1419 -1.1419 -0.6210 -0.6210 -0.6047 -0.6047 -0.4195 -0.4195 -0.3373 -0.3373 3.1351 3.1351 4.5184 4.5184 5.0107 5.0107 5.0764 5.0764 5.5038 5.5038 5.6818 5.6818 6.0264 6.0264 6.2499 6.2499 8.2249 8.2249 9.1349 9.1349 9.4493 9.4493 k = 0.0000 0.0000 0.0731 ( 6491 PWs) bands (ev): -24.8495 -24.8495 -24.8490 -24.8490 -8.5426 -8.5426 -8.5251 -8.5251 -8.2957 -8.2957 -8.2698 -8.2698 -8.2467 -8.2467 -8.2445 -8.2445 -4.2900 -4.2900 -4.1520 -4.1520 -2.6851 -2.6851 -2.6782 -2.6782 -2.2094 -2.2094 -2.1631 -2.1631 -1.1527 -1.1527 -1.1422 -1.1422 -0.6207 -0.6207 -0.6050 -0.6050 -0.4179 -0.4179 -0.3396 -0.3396 3.1593 3.1593 4.4686 4.4686 5.0140 5.0140 5.0842 5.0842 5.5075 5.5075 5.6771 5.6771 6.0311 6.0311 6.2443 6.2443 8.2747 8.2747 9.1437 9.1437 9.4600 9.4600 k = 0.0000 0.0000 0.0877 ( 6490 PWs) bands (ev): -24.8495 -24.8495 -24.8490 -24.8490 -8.5420 -8.5420 -8.5255 -8.5255 -8.2950 -8.2950 -8.2706 -8.2706 -8.2467 -8.2467 -8.2446 -8.2446 -4.2861 -4.2861 -4.1560 -4.1560 -2.6849 -2.6849 -2.6784 -2.6784 -2.2082 -2.2082 -2.1646 -2.1646 -1.1524 -1.1524 -1.1425 -1.1425 -0.6202 -0.6202 -0.6055 -0.6055 -0.4161 -0.4161 -0.3424 -0.3424 3.1887 3.1887 4.4123 4.4123 5.0178 5.0178 5.0909 5.0909 5.5120 5.5120 5.6716 5.6716 6.0367 6.0367 6.2376 6.2376 8.3339 8.3339 9.1543 9.1543 9.4731 9.4731 k = 0.0000 0.0000 0.1023 ( 6502 PWs) bands (ev): -24.8495 -24.8495 -24.8491 -24.8491 -8.5414 -8.5414 -8.5260 -8.5260 -8.2943 -8.2943 -8.2715 -8.2715 -8.2466 -8.2466 -8.2447 -8.2447 -4.2815 -4.2815 -4.1606 -4.1606 -2.6847 -2.6847 -2.6786 -2.6786 -2.2068 -2.2068 -2.1663 -2.1663 -1.1520 -1.1520 -1.1428 -1.1428 -0.6197 -0.6197 -0.6060 -0.6060 -0.4140 -0.4140 -0.3455 -0.3455 3.2229 3.2229 4.3508 4.3508 5.0223 5.0223 5.0961 5.0961 5.5172 5.5172 5.6653 5.6653 6.0432 6.0432 6.2300 6.2300 8.4015 8.4015 9.1668 9.1668 9.4885 9.4885 k = 0.0000 0.0000 0.1170 ( 6520 PWs) bands (ev): -24.8495 -24.8495 -24.8492 -24.8492 -8.5407 -8.5407 -8.5266 -8.5266 -8.2934 -8.2934 -8.2726 -8.2726 -8.2465 -8.2465 -8.2448 -8.2448 -4.2764 -4.2764 -4.1657 -4.1657 -2.6844 -2.6844 -2.6789 -2.6789 -2.2052 -2.2052 -2.1682 -2.1682 -1.1516 -1.1516 -1.1432 -1.1432 -0.6191 -0.6191 -0.6066 -0.6066 -0.4115 -0.4115 -0.3490 -0.3490 3.2619 3.2619 4.2853 4.2853 5.0274 5.0274 5.0997 5.0997 5.5231 5.5231 5.6583 5.6583 6.0506 6.0506 6.2214 6.2214 8.4767 8.4767 9.1810 9.1810 9.5061 9.5061 k = 0.0000 0.0000 0.1316 ( 6514 PWs) bands (ev): -24.8495 -24.8495 -24.8492 -24.8492 -8.5399 -8.5399 -8.5273 -8.5273 -8.2924 -8.2924 -8.2737 -8.2737 -8.2464 -8.2464 -8.2449 -8.2449 -4.2707 -4.2707 -4.1714 -4.1714 -2.6841 -2.6841 -2.6792 -2.6792 -2.2035 -2.2035 -2.1702 -2.1702 -1.1512 -1.1512 -1.1437 -1.1437 -0.6185 -0.6185 -0.6072 -0.6072 -0.4088 -0.4088 -0.3528 -0.3528 3.3055 3.3055 4.2168 4.2168 5.0329 5.0329 5.1016 5.1016 5.5296 5.5296 5.6507 5.6507 6.0588 6.0588 6.2120 6.2120 8.5585 8.5585 9.1969 9.1969 9.5144 9.5144 k = 0.0000 0.0000 0.1462 ( 6556 PWs) bands (ev): -24.8495 -24.8495 -24.8492 -24.8492 -8.5391 -8.5391 -8.5280 -8.5280 -8.2914 -8.2914 -8.2750 -8.2750 -8.2464 -8.2464 -8.2450 -8.2450 -4.2645 -4.2645 -4.1776 -4.1776 -2.6838 -2.6838 -2.6795 -2.6795 -2.2015 -2.2015 -2.1724 -2.1724 -1.1507 -1.1507 -1.1441 -1.1441 -0.6178 -0.6178 -0.6079 -0.6079 -0.4058 -0.4058 -0.3568 -0.3568 3.3534 3.3534 4.1461 4.1461 5.0389 5.0389 5.1018 5.1018 5.5367 5.5367 5.6426 5.6426 6.0678 6.0678 6.2018 6.2018 8.6461 8.6461 9.2144 9.2144 9.4929 9.4929 k = 0.0000 0.0000 0.1608 ( 6556 PWs) bands (ev): -24.8495 -24.8495 -24.8493 -24.8493 -8.5383 -8.5383 -8.5288 -8.5288 -8.2902 -8.2902 -8.2763 -8.2763 -8.2463 -8.2463 -8.2451 -8.2451 -4.2580 -4.2580 -4.1842 -4.1842 -2.6835 -2.6835 -2.6798 -2.6798 -2.1995 -2.1995 -2.1748 -2.1748 -1.1502 -1.1502 -1.1446 -1.1446 -0.6170 -0.6170 -0.6087 -0.6087 -0.4025 -0.4025 -0.3610 -0.3610 3.4054 3.4054 4.0740 4.0740 5.0452 5.0452 5.1005 5.1005 5.5444 5.5444 5.6341 5.6341 6.0774 6.0774 6.1911 6.1911 8.7387 8.7387 9.2333 9.2333 9.4700 9.4700 k = 0.0000 0.0000 0.1755 ( 6544 PWs) bands (ev): -24.8494 -24.8494 -24.8493 -24.8493 -8.5373 -8.5373 -8.5297 -8.5297 -8.2890 -8.2890 -8.2777 -8.2777 -8.2461 -8.2461 -8.2452 -8.2452 -4.2510 -4.2510 -4.1912 -4.1912 -2.6832 -2.6832 -2.6802 -2.6802 -2.1973 -2.1973 -2.1772 -2.1772 -1.1497 -1.1497 -1.1452 -1.1452 -0.6163 -0.6163 -0.6095 -0.6095 -0.3990 -0.3990 -0.3653 -0.3653 3.4611 3.4611 4.0012 4.0012 5.0518 5.0518 5.0980 5.0980 5.5525 5.5525 5.6252 5.6252 6.0877 6.0877 6.1800 6.1800 8.8353 8.8353 9.2535 9.2535 9.4463 9.4463 k = 0.0000 0.0000 0.1901 ( 6526 PWs) bands (ev): -24.8494 -24.8494 -24.8493 -24.8493 -8.5364 -8.5364 -8.5305 -8.5305 -8.2877 -8.2877 -8.2791 -8.2791 -8.2460 -8.2460 -8.2453 -8.2453 -4.2438 -4.2438 -4.1984 -4.1984 -2.6828 -2.6828 -2.6805 -2.6805 -2.1949 -2.1949 -2.1797 -2.1797 -1.1492 -1.1492 -1.1457 -1.1457 -0.6154 -0.6154 -0.6103 -0.6103 -0.3952 -0.3952 -0.3697 -0.3697 3.5204 3.5204 3.9285 3.9285 5.0585 5.0585 5.0943 5.0943 5.5610 5.5610 5.6161 5.6161 6.0985 6.0985 6.1685 6.1685 8.9353 8.9353 9.2747 9.2747 9.4219 9.4219 k = 0.0000 0.0000 0.2047 ( 6538 PWs) bands (ev): -24.8494 -24.8494 -24.8493 -24.8493 -8.5354 -8.5354 -8.5315 -8.5315 -8.2863 -8.2863 -8.2805 -8.2805 -8.2459 -8.2459 -8.2454 -8.2454 -4.2364 -4.2364 -4.2059 -4.2059 -2.6824 -2.6824 -2.6809 -2.6809 -2.1925 -2.1925 -2.1823 -2.1823 -1.1486 -1.1486 -1.1463 -1.1463 -0.6146 -0.6146 -0.6111 -0.6111 -0.3913 -0.3913 -0.3741 -0.3741 3.5827 3.5827 3.8563 3.8563 5.0652 5.0652 5.0896 5.0896 5.5698 5.5698 5.6068 5.6068 6.1097 6.1097 6.1567 6.1567 9.0379 9.0379 9.2964 9.2964 9.3973 9.3973 k = 0.0000 0.0000 0.2193 ( 6532 PWs) bands (ev): -24.8494 -24.8494 -24.8493 -24.8493 -8.5344 -8.5344 -8.5324 -8.5324 -8.2849 -8.2849 -8.2820 -8.2820 -8.2458 -8.2458 -8.2455 -8.2455 -4.2288 -4.2288 -4.2135 -4.2135 -2.6820 -2.6820 -2.6813 -2.6813 -2.1900 -2.1900 -2.1849 -2.1849 -1.1480 -1.1480 -1.1469 -1.1469 -0.6137 -0.6137 -0.6120 -0.6120 -0.3872 -0.3872 -0.3786 -0.3786 3.6479 3.6479 3.7851 3.7851 5.0718 5.0718 5.0842 5.0842 5.5789 5.5789 5.5975 5.5975 6.1212 6.1212 6.1448 6.1448 9.1421 9.1421 9.3134 9.3134 9.3654 9.3654 k = 0.0000 0.0000 0.2339 ( 6520 PWs) bands (ev): -24.8494 -24.8494 -24.8493 -24.8493 -8.5334 -8.5334 -8.5333 -8.5333 -8.2835 -8.2835 -8.2834 -8.2834 -8.2457 -8.2457 -8.2456 -8.2456 -4.2211 -4.2211 -4.2211 -4.2211 -2.6817 -2.6817 -2.6817 -2.6817 -2.1875 -2.1875 -2.1875 -2.1875 -1.1474 -1.1474 -1.1474 -1.1474 -0.6129 -0.6129 -0.6129 -0.6129 -0.3829 -0.3829 -0.3829 -0.3829 3.7155 3.7155 3.7155 3.7155 5.0782 5.0782 5.0782 5.0782 5.5882 5.5882 5.5882 5.5882 6.1330 6.1330 6.1330 6.1330 9.2460 9.2460 9.2460 9.2460 9.3503 9.3504 k = 0.0000 0.0000 0.2339 ( 6520 PWs) bands (ev): -24.8494 -24.8494 -24.8493 -24.8493 -8.5334 -8.5334 -8.5333 -8.5333 -8.2835 -8.2835 -8.2834 -8.2834 -8.2457 -8.2457 -8.2456 -8.2456 -4.2211 -4.2211 -4.2211 -4.2211 -2.6817 -2.6817 -2.6817 -2.6817 -2.1875 -2.1875 -2.1875 -2.1875 -1.1474 -1.1474 -1.1474 -1.1474 -0.6129 -0.6129 -0.6129 -0.6129 -0.3829 -0.3829 -0.3829 -0.3829 3.7155 3.7155 3.7155 3.7155 5.0782 5.0782 5.0782 5.0782 5.5882 5.5882 5.5882 5.5882 6.1330 6.1330 6.1330 6.1330 9.2460 9.2460 9.2460 9.2460 9.3503 9.3503 k = 0.0132 0.0076 0.2339 ( 6532 PWs) bands (ev): -24.8494 -24.8494 -24.8493 -24.8493 -8.5335 -8.5335 -8.5334 -8.5334 -8.2835 -8.2835 -8.2834 -8.2834 -8.2458 -8.2458 -8.2457 -8.2457 -4.2202 -4.2202 -4.2202 -4.2202 -2.6814 -2.6814 -2.6814 -2.6814 -2.1875 -2.1875 -2.1875 -2.1875 -1.1471 -1.1471 -1.1471 -1.1471 -0.6130 -0.6130 -0.6130 -0.6130 -0.3829 -0.3829 -0.3829 -0.3829 3.7168 3.7168 3.7168 3.7168 5.0434 5.0434 5.0434 5.0434 5.6070 5.6070 5.6070 5.6070 6.1428 6.1428 6.1428 6.1428 9.2445 9.2445 9.2446 9.2446 9.3522 9.3522 k = 0.0263 0.0152 0.2339 ( 6554 PWs) bands (ev): -24.8494 -24.8494 -24.8493 -24.8493 -8.5335 -8.5335 -8.5334 -8.5334 -8.2835 -8.2835 -8.2834 -8.2834 -8.2460 -8.2460 -8.2459 -8.2459 -4.2176 -4.2176 -4.2176 -4.2176 -2.6805 -2.6805 -2.6805 -2.6805 -2.1877 -2.1877 -2.1876 -2.1876 -1.1461 -1.1461 -1.1461 -1.1461 -0.6133 -0.6133 -0.6133 -0.6133 -0.3828 -0.3828 -0.3828 -0.3828 3.7205 3.7205 3.7205 3.7205 4.9549 4.9549 4.9549 4.9549 5.6460 5.6460 5.6460 5.6460 6.1741 6.1741 6.1741 6.1741 9.2401 9.2401 9.2401 9.2401 9.3573 9.3573 k = 0.0395 0.0228 0.2339 ( 6548 PWs) bands (ev): -24.8494 -24.8494 -24.8493 -24.8493 -8.5336 -8.5336 -8.5335 -8.5335 -8.2836 -8.2836 -8.2835 -8.2835 -8.2463 -8.2463 -8.2462 -8.2462 -4.2131 -4.2131 -4.2131 -4.2131 -2.6791 -2.6791 -2.6791 -2.6791 -2.1879 -2.1879 -2.1879 -2.1879 -1.1443 -1.1443 -1.1443 -1.1443 -0.6138 -0.6138 -0.6138 -0.6138 -0.3828 -0.3828 -0.3827 -0.3827 3.7265 3.7265 3.7265 3.7265 4.8367 4.8367 4.8367 4.8367 5.6785 5.6785 5.6785 5.6785 6.2295 6.2295 6.2295 6.2295 9.2325 9.2325 9.2325 9.2325 9.3642 9.3642 k = 0.0526 0.0304 0.2339 ( 6550 PWs) bands (ev): -24.8493 -24.8493 -24.8492 -24.8492 -8.5337 -8.5337 -8.5336 -8.5336 -8.2836 -8.2836 -8.2835 -8.2835 -8.2467 -8.2467 -8.2466 -8.2466 -4.2069 -4.2069 -4.2069 -4.2069 -2.6772 -2.6772 -2.6772 -2.6772 -2.1882 -2.1882 -2.1882 -2.1882 -1.1419 -1.1419 -1.1419 -1.1419 -0.6145 -0.6145 -0.6145 -0.6145 -0.3826 -0.3826 -0.3826 -0.3826 3.7346 3.7346 3.7346 3.7346 4.7034 4.7034 4.7034 4.7034 5.6919 5.6919 5.6919 5.6919 6.3075 6.3075 6.3076 6.3076 9.2213 9.2213 9.2214 9.2214 9.3712 9.3712 k = 0.0658 0.0380 0.2339 ( 6540 PWs) bands (ev): -24.8493 -24.8493 -24.8492 -24.8492 -8.5338 -8.5338 -8.5338 -8.5338 -8.2836 -8.2836 -8.2836 -8.2836 -8.2472 -8.2472 -8.2471 -8.2471 -4.1990 -4.1990 -4.1990 -4.1990 -2.6746 -2.6746 -2.6746 -2.6746 -2.1885 -2.1885 -2.1885 -2.1885 -1.1387 -1.1387 -1.1387 -1.1387 -0.6153 -0.6153 -0.6153 -0.6153 -0.3824 -0.3824 -0.3824 -0.3824 3.7440 3.7440 3.7440 3.7440 4.5627 4.5627 4.5627 4.5627 5.6856 5.6856 5.6856 5.6856 6.4017 6.4017 6.4017 6.4017 9.2062 9.2062 9.2062 9.2062 9.3767 9.3767 k = 0.0789 0.0456 0.2339 ( 6546 PWs) bands (ev): -24.8493 -24.8493 -24.8492 -24.8492 -8.5340 -8.5340 -8.5339 -8.5339 -8.2837 -8.2837 -8.2836 -8.2836 -8.2478 -8.2478 -8.2477 -8.2477 -4.1894 -4.1894 -4.1894 -4.1894 -2.6715 -2.6715 -2.6715 -2.6715 -2.1890 -2.1890 -2.1890 -2.1890 -1.1349 -1.1349 -1.1349 -1.1349 -0.6164 -0.6164 -0.6164 -0.6164 -0.3822 -0.3822 -0.3822 -0.3822 3.7536 3.7536 3.7536 3.7536 4.4193 4.4193 4.4193 4.4193 5.6637 5.6637 5.6637 5.6637 6.5044 6.5044 6.5044 6.5044 9.1863 9.1863 9.1863 9.1863 9.3809 9.3809 k = 0.0921 0.0532 0.2339 ( 6560 PWs) bands (ev): -24.8492 -24.8492 -24.8491 -24.8491 -8.5342 -8.5342 -8.5341 -8.5341 -8.2838 -8.2838 -8.2837 -8.2837 -8.2486 -8.2486 -8.2485 -8.2485 -4.1782 -4.1782 -4.1782 -4.1782 -2.6679 -2.6679 -2.6679 -2.6679 -2.1894 -2.1894 -2.1894 -2.1894 -1.1304 -1.1304 -1.1304 -1.1304 -0.6176 -0.6176 -0.6176 -0.6176 -0.3820 -0.3820 -0.3820 -0.3820 3.7606 3.7606 3.7606 3.7606 4.2782 4.2782 4.2782 4.2782 5.6301 5.6301 5.6301 5.6301 6.6094 6.6094 6.6094 6.6094 9.1609 9.1609 9.1610 9.1610 9.3855 9.3855 k = 0.1053 0.0608 0.2339 ( 6560 PWs) bands (ev): -24.8492 -24.8492 -24.8491 -24.8491 -8.5345 -8.5345 -8.5344 -8.5344 -8.2839 -8.2839 -8.2838 -8.2838 -8.2494 -8.2494 -8.2493 -8.2493 -4.1654 -4.1654 -4.1654 -4.1654 -2.6636 -2.6636 -2.6636 -2.6636 -2.1899 -2.1899 -2.1899 -2.1899 -1.1251 -1.1251 -1.1251 -1.1251 -0.6189 -0.6189 -0.6189 -0.6189 -0.3816 -0.3816 -0.3816 -0.3816 3.7580 3.7580 3.7580 3.7580 4.1473 4.1473 4.1474 4.1474 5.5878 5.5878 5.5878 5.5878 6.7122 6.7122 6.7122 6.7122 9.1296 9.1296 9.1296 9.1296 9.3932 9.3932 k = 0.1184 0.0684 0.2339 ( 6546 PWs) bands (ev): -24.8491 -24.8491 -24.8490 -24.8490 -8.5347 -8.5347 -8.5347 -8.5347 -8.2840 -8.2840 -8.2839 -8.2839 -8.2503 -8.2503 -8.2502 -8.2502 -4.1512 -4.1512 -4.1512 -4.1512 -2.6587 -2.6587 -2.6587 -2.6587 -2.1905 -2.1905 -2.1905 -2.1905 -1.1191 -1.1191 -1.1191 -1.1191 -0.6204 -0.6204 -0.6204 -0.6204 -0.3813 -0.3813 -0.3813 -0.3813 3.7290 3.7290 3.7290 3.7290 4.0447 4.0447 4.0447 4.0447 5.5390 5.5390 5.5390 5.5390 6.8098 6.8098 6.8098 6.8098 9.0919 9.0919 9.0919 9.0919 9.4068 9.4068 k = 0.1316 0.0760 0.2339 ( 6550 PWs) bands (ev): -24.8490 -24.8490 -24.8490 -24.8490 -8.5351 -8.5351 -8.5350 -8.5350 -8.2841 -8.2841 -8.2841 -8.2841 -8.2513 -8.2513 -8.2512 -8.2512 -4.1355 -4.1355 -4.1355 -4.1355 -2.6533 -2.6533 -2.6533 -2.6533 -2.1910 -2.1910 -2.1910 -2.1910 -1.1124 -1.1124 -1.1124 -1.1124 -0.6220 -0.6220 -0.6220 -0.6220 -0.3808 -0.3808 -0.3808 -0.3808 3.6516 3.6516 3.6516 3.6516 3.9927 3.9927 3.9927 3.9927 5.4851 5.4851 5.4851 5.4851 6.8995 6.8995 6.8995 6.8995 9.0481 9.0481 9.0481 9.0481 9.4287 9.4287 k = 0.1447 0.0836 0.2339 ( 6548 PWs) bands (ev): -24.8490 -24.8490 -24.8489 -24.8489 -8.5354 -8.5354 -8.5353 -8.5353 -8.2843 -8.2843 -8.2842 -8.2842 -8.2523 -8.2523 -8.2522 -8.2522 -4.1185 -4.1185 -4.1185 -4.1185 -2.6472 -2.6472 -2.6472 -2.6472 -2.1915 -2.1915 -2.1915 -2.1915 -1.1050 -1.1050 -1.1050 -1.1050 -0.6237 -0.6237 -0.6237 -0.6237 -0.3804 -0.3804 -0.3803 -0.3803 3.5325 3.5325 3.5325 3.5325 3.9851 3.9851 3.9851 3.9851 5.4275 5.4275 5.4275 5.4275 6.9797 6.9797 6.9797 6.9797 8.9984 8.9984 8.9984 8.9984 9.4608 9.4608 k = 0.1579 0.0912 0.2339 ( 6542 PWs) bands (ev): -24.8489 -24.8489 -24.8488 -24.8488 -8.5358 -8.5358 -8.5357 -8.5357 -8.2845 -8.2845 -8.2844 -8.2844 -8.2534 -8.2534 -8.2533 -8.2533 -4.1003 -4.1003 -4.1003 -4.1003 -2.6405 -2.6405 -2.6405 -2.6405 -2.1919 -2.1919 -2.1919 -2.1919 -1.0968 -1.0968 -1.0968 -1.0968 -0.6254 -0.6254 -0.6254 -0.6254 -0.3798 -0.3798 -0.3798 -0.3798 3.3939 3.3939 3.3939 3.3939 4.0001 4.0001 4.0001 4.0001 5.3670 5.3670 5.3670 5.3670 7.0490 7.0490 7.0490 7.0490 8.9432 8.9432 8.9432 8.9432 9.5042 9.5042 k = 0.1711 0.0988 0.2339 ( 6540 PWs) bands (ev): -24.8488 -24.8488 -24.8487 -24.8487 -8.5362 -8.5362 -8.5361 -8.5361 -8.2847 -8.2847 -8.2846 -8.2846 -8.2545 -8.2545 -8.2544 -8.2544 -4.0810 -4.0810 -4.0810 -4.0810 -2.6332 -2.6332 -2.6332 -2.6332 -2.1922 -2.1922 -2.1922 -2.1922 -1.0879 -1.0879 -1.0879 -1.0879 -0.6272 -0.6272 -0.6272 -0.6272 -0.3792 -0.3792 -0.3791 -0.3791 3.2475 3.2475 3.2475 3.2475 4.0261 4.0261 4.0261 4.0261 5.3046 5.3046 5.3046 5.3046 7.1070 7.1070 7.1070 7.1070 8.8831 8.8831 8.8831 8.8831 9.5595 9.5596 k = 0.1842 0.1064 0.2339 ( 6524 PWs) bands (ev): -24.8487 -24.8487 -24.8486 -24.8486 -8.5366 -8.5366 -8.5365 -8.5365 -8.2849 -8.2849 -8.2848 -8.2848 -8.2556 -8.2556 -8.2555 -8.2555 -4.0608 -4.0608 -4.0608 -4.0608 -2.6253 -2.6253 -2.6253 -2.6253 -2.1925 -2.1925 -2.1925 -2.1925 -1.0783 -1.0783 -1.0783 -1.0783 -0.6290 -0.6290 -0.6290 -0.6290 -0.3784 -0.3784 -0.3784 -0.3784 3.0983 3.0983 3.0983 3.0983 4.0584 4.0584 4.0584 4.0584 5.2409 5.2409 5.2409 5.2409 7.1534 7.1534 7.1534 7.1534 8.8185 8.8185 8.8185 8.8185 9.6268 9.6269 k = 0.1974 0.1140 0.2339 ( 6524 PWs) bands (ev): -24.8486 -24.8486 -24.8485 -24.8485 -8.5370 -8.5370 -8.5369 -8.5369 -8.2852 -8.2852 -8.2851 -8.2851 -8.2567 -8.2567 -8.2566 -8.2566 -4.0397 -4.0397 -4.0397 -4.0397 -2.6167 -2.6167 -2.6167 -2.6167 -2.1926 -2.1926 -2.1926 -2.1926 -1.0678 -1.0678 -1.0678 -1.0678 -0.6308 -0.6308 -0.6308 -0.6308 -0.3776 -0.3776 -0.3776 -0.3776 2.9484 2.9484 2.9484 2.9484 4.0951 4.0951 4.0951 4.0951 5.1766 5.1766 5.1766 5.1766 7.1886 7.1886 7.1886 7.1886 8.7499 8.7499 8.7499 8.7499 9.7054 9.7054 k = 0.2105 0.1215 0.2339 ( 6522 PWs) bands (ev): -24.8485 -24.8485 -24.8484 -24.8484 -8.5375 -8.5375 -8.5374 -8.5374 -8.2855 -8.2855 -8.2854 -8.2854 -8.2578 -8.2578 -8.2577 -8.2577 -4.0179 -4.0179 -4.0179 -4.0179 -2.6076 -2.6076 -2.6076 -2.6076 -2.1924 -2.1924 -2.1924 -2.1924 -1.0566 -1.0566 -1.0566 -1.0566 -0.6326 -0.6326 -0.6326 -0.6326 -0.3767 -0.3767 -0.3767 -0.3767 2.7988 2.7988 2.7989 2.7989 4.1351 4.1351 4.1351 4.1351 5.1121 5.1121 5.1122 5.1122 7.2136 7.2136 7.2136 7.2136 8.6779 8.6779 8.6779 8.6779 9.7938 9.7938 k = 0.2237 0.1291 0.2339 ( 6514 PWs) bands (ev): -24.8484 -24.8484 -24.8484 -24.8484 -8.5380 -8.5380 -8.5379 -8.5379 -8.2859 -8.2859 -8.2858 -8.2858 -8.2589 -8.2589 -8.2588 -8.2588 -3.9955 -3.9955 -3.9955 -3.9955 -2.5979 -2.5979 -2.5979 -2.5979 -2.1921 -2.1921 -2.1921 -2.1921 -1.0446 -1.0446 -1.0446 -1.0446 -0.6344 -0.6344 -0.6344 -0.6344 -0.3756 -0.3756 -0.3756 -0.3756 2.6505 2.6505 2.6505 2.6505 4.1778 4.1778 4.1778 4.1778 5.0481 5.0481 5.0481 5.0481 7.2294 7.2294 7.2294 7.2294 8.6029 8.6029 8.6029 8.6029 9.8902 9.8902 k = 0.2368 0.1367 0.2339 ( 6508 PWs) bands (ev): -24.8483 -24.8483 -24.8483 -24.8483 -8.5385 -8.5385 -8.5384 -8.5384 -8.2862 -8.2862 -8.2862 -8.2862 -8.2599 -8.2599 -8.2598 -8.2598 -3.9728 -3.9728 -3.9728 -3.9728 -2.5877 -2.5877 -2.5877 -2.5877 -2.1915 -2.1915 -2.1915 -2.1915 -1.0319 -1.0319 -1.0319 -1.0319 -0.6361 -0.6361 -0.6361 -0.6361 -0.3745 -0.3745 -0.3745 -0.3745 2.5038 2.5038 2.5038 2.5038 4.2225 4.2225 4.2225 4.2225 4.9851 4.9851 4.9851 4.9851 7.2373 7.2373 7.2373 7.2373 8.5256 8.5256 8.5256 8.5256 9.9922 9.9922 k = 0.2500 0.1443 0.2339 ( 6520 PWs) bands (ev): -24.8483 -24.8483 -24.8482 -24.8482 -8.5391 -8.5391 -8.5390 -8.5390 -8.2867 -8.2867 -8.2866 -8.2866 -8.2609 -8.2609 -8.2608 -8.2608 -3.9498 -3.9498 -3.9498 -3.9498 -2.5769 -2.5769 -2.5769 -2.5769 -2.1906 -2.1906 -2.1906 -2.1906 -1.0183 -1.0183 -1.0183 -1.0183 -0.6378 -0.6378 -0.6378 -0.6378 -0.3731 -0.3731 -0.3731 -0.3731 2.3592 2.3592 2.3592 2.3592 4.2690 4.2690 4.2690 4.2690 4.9234 4.9234 4.9234 4.9234 7.2386 7.2386 7.2386 7.2386 8.4464 8.4464 8.4464 8.4464 10.0968 10.0969 k = 0.2632 0.1519 0.2339 ( 6522 PWs) bands (ev): -24.8482 -24.8482 -24.8481 -24.8481 -8.5396 -8.5396 -8.5395 -8.5395 -8.2872 -8.2872 -8.2871 -8.2871 -8.2618 -8.2618 -8.2617 -8.2617 -3.9268 -3.9268 -3.9268 -3.9268 -2.5657 -2.5657 -2.5657 -2.5657 -2.1892 -2.1892 -2.1892 -2.1892 -1.0039 -1.0039 -1.0039 -1.0039 -0.6394 -0.6394 -0.6394 -0.6394 -0.3716 -0.3716 -0.3716 -0.3716 2.2170 2.2170 2.2170 2.2170 4.3166 4.3166 4.3166 4.3166 4.8637 4.8637 4.8637 4.8637 7.2345 7.2345 7.2345 7.2345 8.3659 8.3659 8.3659 8.3659 10.2007 10.2007 k = 0.2763 0.1595 0.2339 ( 6532 PWs) bands (ev): -24.8481 -24.8481 -24.8480 -24.8480 -8.5402 -8.5402 -8.5401 -8.5401 -8.2877 -8.2877 -8.2876 -8.2876 -8.2627 -8.2627 -8.2626 -8.2626 -3.9040 -3.9040 -3.9040 -3.9040 -2.5541 -2.5541 -2.5541 -2.5541 -2.1875 -2.1875 -2.1875 -2.1875 -0.9886 -0.9886 -0.9886 -0.9886 -0.6409 -0.6409 -0.6409 -0.6409 -0.3699 -0.3699 -0.3699 -0.3699 2.0776 2.0776 2.0776 2.0776 4.3647 4.3647 4.3648 4.3648 4.8066 4.8066 4.8066 4.8066 7.2263 7.2263 7.2263 7.2263 8.2846 8.2846 8.2846 8.2846 10.3001 10.3001 k = 0.2895 0.1671 0.2339 ( 6522 PWs) bands (ev): -24.8480 -24.8480 -24.8479 -24.8479 -8.5407 -8.5407 -8.5407 -8.5407 -8.2883 -8.2883 -8.2882 -8.2882 -8.2635 -8.2635 -8.2634 -8.2634 -3.8814 -3.8814 -3.8814 -3.8814 -2.5423 -2.5423 -2.5423 -2.5423 -2.1853 -2.1853 -2.1853 -2.1853 -0.9725 -0.9725 -0.9725 -0.9725 -0.6423 -0.6423 -0.6423 -0.6423 -0.3679 -0.3679 -0.3679 -0.3679 1.9412 1.9412 1.9412 1.9412 4.4122 4.4122 4.4122 4.4122 4.7533 4.7533 4.7533 4.7533 7.2149 7.2149 7.2149 7.2149 8.2029 8.2029 8.2029 8.2029 10.3922 10.3922 k = 0.3026 0.1747 0.2339 ( 6520 PWs) bands (ev): -24.8479 -24.8479 -24.8478 -24.8478 -8.5413 -8.5413 -8.5412 -8.5412 -8.2889 -8.2889 -8.2888 -8.2888 -8.2642 -8.2642 -8.2641 -8.2641 -3.8593 -3.8593 -3.8593 -3.8593 -2.5303 -2.5303 -2.5303 -2.5303 -2.1826 -2.1826 -2.1826 -2.1826 -0.9556 -0.9556 -0.9556 -0.9556 -0.6436 -0.6436 -0.6436 -0.6436 -0.3657 -0.3657 -0.3657 -0.3657 1.8082 1.8082 1.8082 1.8082 4.4567 4.4567 4.4567 4.4567 4.7062 4.7062 4.7062 4.7062 7.2013 7.2013 7.2013 7.2013 8.1215 8.1215 8.1215 8.1215 10.4758 10.4758 k = 0.3158 0.1823 0.2339 ( 6512 PWs) bands (ev): -24.8478 -24.8478 -24.8477 -24.8477 -8.5419 -8.5419 -8.5418 -8.5418 -8.2895 -8.2895 -8.2894 -8.2894 -8.2649 -8.2649 -8.2648 -8.2648 -3.8378 -3.8378 -3.8378 -3.8378 -2.5184 -2.5184 -2.5184 -2.5184 -2.1793 -2.1793 -2.1793 -2.1793 -0.9379 -0.9379 -0.9379 -0.9379 -0.6448 -0.6448 -0.6448 -0.6448 -0.3631 -0.3631 -0.3631 -0.3631 1.6789 1.6789 1.6789 1.6789 4.4919 4.4919 4.4919 4.4919 4.6713 4.6713 4.6713 4.6713 7.1861 7.1861 7.1861 7.1861 8.0406 8.0406 8.0407 8.0407 10.5514 10.5515 k = 0.3289 0.1899 0.2339 ( 6506 PWs) bands (ev): -24.8477 -24.8477 -24.8476 -24.8476 -8.5424 -8.5424 -8.5423 -8.5423 -8.2901 -8.2901 -8.2900 -8.2900 -8.2654 -8.2654 -8.2653 -8.2653 -3.8172 -3.8172 -3.8172 -3.8172 -2.5065 -2.5065 -2.5065 -2.5065 -2.1755 -2.1755 -2.1755 -2.1755 -0.9194 -0.9194 -0.9194 -0.9194 -0.6459 -0.6459 -0.6459 -0.6459 -0.3602 -0.3602 -0.3602 -0.3602 1.5536 1.5536 1.5536 1.5536 4.5045 4.5045 4.5045 4.5045 4.6620 4.6620 4.6620 4.6620 7.1700 7.1700 7.1700 7.1700 7.9610 7.9610 7.9611 7.9611 10.6210 10.6210 k = 0.3421 0.1975 0.2339 ( 6510 PWs) bands (ev): -24.8477 -24.8477 -24.8476 -24.8476 -8.5430 -8.5430 -8.5429 -8.5429 -8.2907 -8.2907 -8.2907 -8.2907 -8.2659 -8.2659 -8.2658 -8.2658 -3.7975 -3.7975 -3.7975 -3.7975 -2.4950 -2.4950 -2.4950 -2.4950 -2.1710 -2.1710 -2.1710 -2.1710 -0.9002 -0.9002 -0.9002 -0.9002 -0.6470 -0.6470 -0.6470 -0.6470 -0.3568 -0.3568 -0.3568 -0.3568 1.4327 1.4327 1.4327 1.4327 4.4882 4.4882 4.4882 4.4882 4.6841 4.6841 4.6841 4.6841 7.1536 7.1536 7.1536 7.1536 7.8832 7.8832 7.8832 7.8832 10.6865 10.6865 k = 0.3553 0.2051 0.2339 ( 6518 PWs) bands (ev): -24.8476 -24.8476 -24.8475 -24.8475 -8.5435 -8.5435 -8.5434 -8.5434 -8.2914 -8.2914 -8.2913 -8.2913 -8.2664 -8.2664 -8.2663 -8.2663 -3.7789 -3.7789 -3.7789 -3.7789 -2.4839 -2.4839 -2.4839 -2.4839 -2.1660 -2.1660 -2.1660 -2.1660 -0.8804 -0.8804 -0.8804 -0.8804 -0.6479 -0.6479 -0.6479 -0.6479 -0.3529 -0.3529 -0.3529 -0.3529 1.3166 1.3166 1.3166 1.3166 4.4574 4.4574 4.4574 4.4574 4.7233 4.7233 4.7233 4.7233 7.1372 7.1372 7.1372 7.1372 7.8076 7.8076 7.8076 7.8076 10.7496 10.7496 k = 0.3684 0.2127 0.2339 ( 6514 PWs) bands (ev): -24.8475 -24.8475 -24.8474 -24.8474 -8.5440 -8.5440 -8.5439 -8.5439 -8.2920 -8.2920 -8.2919 -8.2919 -8.2667 -8.2667 -8.2666 -8.2666 -3.7615 -3.7615 -3.7615 -3.7615 -2.4734 -2.4734 -2.4734 -2.4734 -2.1606 -2.1606 -2.1606 -2.1606 -0.8601 -0.8601 -0.8601 -0.8601 -0.6489 -0.6489 -0.6489 -0.6489 -0.3483 -0.3483 -0.3483 -0.3483 1.2058 1.2058 1.2058 1.2058 4.4229 4.4229 4.4229 4.4229 4.7681 4.7681 4.7681 4.7681 7.1214 7.1214 7.1214 7.1214 7.7349 7.7349 7.7349 7.7349 10.8115 10.8115 k = 0.3816 0.2203 0.2339 ( 6526 PWs) bands (ev): -24.8475 -24.8475 -24.8474 -24.8474 -8.5445 -8.5445 -8.5444 -8.5444 -8.2926 -8.2926 -8.2925 -8.2925 -8.2670 -8.2670 -8.2669 -8.2669 -3.7455 -3.7455 -3.7455 -3.7455 -2.4637 -2.4637 -2.4637 -2.4637 -2.1547 -2.1547 -2.1547 -2.1547 -0.8395 -0.8395 -0.8395 -0.8395 -0.6498 -0.6498 -0.6498 -0.6498 -0.3432 -0.3432 -0.3432 -0.3432 1.1008 1.1008 1.1008 1.1008 4.3890 4.3890 4.3890 4.3890 4.8141 4.8141 4.8141 4.8141 7.1063 7.1063 7.1063 7.1063 7.6657 7.6657 7.6657 7.6657 10.8728 10.8728 k = 0.3947 0.2279 0.2339 ( 6518 PWs) bands (ev): -24.8474 -24.8474 -24.8473 -24.8473 -8.5449 -8.5449 -8.5448 -8.5448 -8.2932 -8.2932 -8.2931 -8.2931 -8.2673 -8.2673 -8.2672 -8.2672 -3.7309 -3.7309 -3.7309 -3.7309 -2.4549 -2.4549 -2.4549 -2.4549 -2.1485 -2.1485 -2.1485 -2.1485 -0.8190 -0.8190 -0.8190 -0.8190 -0.6507 -0.6507 -0.6507 -0.6507 -0.3372 -0.3372 -0.3372 -0.3372 1.0022 1.0022 1.0023 1.0023 4.3572 4.3572 4.3572 4.3572 4.8592 4.8592 4.8592 4.8592 7.0923 7.0923 7.0923 7.0923 7.6007 7.6007 7.6007 7.6007 10.9338 10.9338 k = 0.4079 0.2355 0.2339 ( 6506 PWs) bands (ev): -24.8473 -24.8473 -24.8472 -24.8472 -8.5453 -8.5453 -8.5452 -8.5452 -8.2937 -8.2937 -8.2936 -8.2936 -8.2675 -8.2675 -8.2674 -8.2674 -3.7179 -3.7179 -3.7179 -3.7179 -2.4470 -2.4470 -2.4470 -2.4470 -2.1423 -2.1423 -2.1423 -2.1423 -0.7988 -0.7988 -0.7988 -0.7988 -0.6517 -0.6517 -0.6517 -0.6517 -0.3306 -0.3306 -0.3306 -0.3306 0.9109 0.9109 0.9110 0.9110 4.3284 4.3284 4.3284 4.3284 4.9020 4.9020 4.9020 4.9020 7.0795 7.0795 7.0795 7.0795 7.5407 7.5407 7.5407 7.5407 10.9943 10.9944 k = 0.4211 0.2431 0.2339 ( 6496 PWs) bands (ev): -24.8473 -24.8473 -24.8472 -24.8472 -8.5456 -8.5456 -8.5455 -8.5455 -8.2942 -8.2942 -8.2941 -8.2941 -8.2677 -8.2677 -8.2676 -8.2676 -3.7065 -3.7065 -3.7065 -3.7065 -2.4401 -2.4401 -2.4401 -2.4401 -2.1363 -2.1363 -2.1363 -2.1363 -0.7794 -0.7794 -0.7794 -0.7794 -0.6529 -0.6529 -0.6529 -0.6529 -0.3233 -0.3233 -0.3233 -0.3233 0.8278 0.8278 0.8278 0.8278 4.3029 4.3029 4.3029 4.3029 4.9415 4.9415 4.9415 4.9415 7.0682 7.0682 7.0682 7.0682 7.4863 7.4863 7.4863 7.4863 11.0541 11.0541 k = 0.4342 0.2507 0.2339 ( 6488 PWs) bands (ev): -24.8472 -24.8472 -24.8471 -24.8471 -8.5459 -8.5459 -8.5458 -8.5458 -8.2946 -8.2946 -8.2945 -8.2945 -8.2678 -8.2678 -8.2677 -8.2677 -3.6967 -3.6967 -3.6967 -3.6967 -2.4344 -2.4344 -2.4344 -2.4344 -2.1306 -2.1306 -2.1306 -2.1306 -0.7613 -0.7613 -0.7613 -0.7613 -0.6541 -0.6541 -0.6541 -0.6541 -0.3155 -0.3155 -0.3155 -0.3155 0.7538 0.7538 0.7538 0.7538 4.2810 4.2810 4.2810 4.2810 4.9769 4.9769 4.9769 4.9769 7.0584 7.0584 7.0584 7.0584 7.4385 7.4385 7.4385 7.4385 11.1122 11.1122 k = 0.4474 0.2583 0.2339 ( 6484 PWs) bands (ev): -24.8472 -24.8472 -24.8471 -24.8471 -8.5462 -8.5462 -8.5461 -8.5461 -8.2949 -8.2949 -8.2948 -8.2948 -8.2679 -8.2679 -8.2678 -8.2678 -3.6887 -3.6887 -3.6887 -3.6887 -2.4296 -2.4296 -2.4296 -2.4296 -2.1255 -2.1255 -2.1255 -2.1255 -0.7450 -0.7450 -0.7450 -0.7450 -0.6556 -0.6556 -0.6556 -0.6556 -0.3076 -0.3076 -0.3076 -0.3076 0.6902 0.6902 0.6903 0.6903 4.2629 4.2629 4.2629 4.2629 5.0072 5.0072 5.0073 5.0073 7.0503 7.0503 7.0503 7.0503 7.3979 7.3979 7.3980 7.3980 11.1673 11.1673 k = 0.4605 0.2659 0.2339 ( 6488 PWs) bands (ev): -24.8472 -24.8472 -24.8471 -24.8471 -8.5464 -8.5464 -8.5463 -8.5463 -8.2952 -8.2952 -8.2951 -8.2951 -8.2680 -8.2680 -8.2679 -8.2679 -3.6824 -3.6824 -3.6824 -3.6824 -2.4260 -2.4260 -2.4260 -2.4260 -2.1213 -2.1213 -2.1213 -2.1213 -0.7311 -0.7311 -0.7311 -0.7311 -0.6573 -0.6573 -0.6573 -0.6573 -0.3003 -0.3003 -0.3003 -0.3003 0.6386 0.6386 0.6386 0.6386 4.2487 4.2487 4.2487 4.2487 5.0318 5.0318 5.0318 5.0318 7.0439 7.0439 7.0439 7.0439 7.3654 7.3654 7.3655 7.3655 11.2171 11.2172 k = 0.4737 0.2735 0.2339 ( 6488 PWs) bands (ev): -24.8472 -24.8472 -24.8471 -24.8471 -8.5465 -8.5465 -8.5464 -8.5464 -8.2954 -8.2954 -8.2953 -8.2953 -8.2681 -8.2681 -8.2680 -8.2680 -3.6779 -3.6779 -3.6779 -3.6779 -2.4234 -2.4234 -2.4234 -2.4234 -2.1181 -2.1181 -2.1181 -2.1181 -0.7203 -0.7203 -0.7203 -0.7203 -0.6590 -0.6590 -0.6590 -0.6590 -0.2941 -0.2941 -0.2941 -0.2941 0.6002 0.6002 0.6002 0.6002 4.2385 4.2385 4.2385 4.2385 5.0499 5.0499 5.0499 5.0499 7.0393 7.0393 7.0393 7.0393 7.3417 7.3417 7.3417 7.3417 11.2583 11.2583 k = 0.4868 0.2811 0.2339 ( 6492 PWs) bands (ev): -24.8471 -24.8471 -24.8471 -24.8471 -8.5466 -8.5466 -8.5465 -8.5465 -8.2955 -8.2955 -8.2954 -8.2954 -8.2681 -8.2681 -8.2680 -8.2680 -3.6751 -3.6751 -3.6751 -3.6751 -2.4218 -2.4218 -2.4218 -2.4218 -2.1162 -2.1162 -2.1162 -2.1162 -0.7132 -0.7132 -0.7132 -0.7132 -0.6603 -0.6603 -0.6603 -0.6603 -0.2900 -0.2900 -0.2900 -0.2900 0.5766 0.5766 0.5766 0.5766 4.2324 4.2324 4.2324 4.2324 5.0609 5.0609 5.0610 5.0610 7.0366 7.0366 7.0366 7.0366 7.3272 7.3272 7.3272 7.3272 11.2863 11.2863 k = 0.5000 0.2887 0.2339 ( 6508 PWs) bands (ev): -24.8472 -24.8472 -24.8471 -24.8471 -8.5466 -8.5466 -8.5465 -8.5465 -8.2955 -8.2955 -8.2955 -8.2955 -8.2681 -8.2681 -8.2680 -8.2680 -3.6742 -3.6742 -3.6742 -3.6742 -2.4213 -2.4213 -2.4213 -2.4213 -2.1155 -2.1155 -2.1155 -2.1155 -0.7108 -0.7108 -0.7108 -0.7108 -0.6609 -0.6609 -0.6609 -0.6609 -0.2886 -0.2886 -0.2886 -0.2886 0.5685 0.5685 0.5686 0.5686 4.2303 4.2303 4.2303 4.2303 5.0647 5.0647 5.0647 5.0647 7.0356 7.0356 7.0356 7.0356 7.3223 7.3223 7.3223 7.3223 11.2963 11.2963 k = 0.5000 0.2887 0.2339 ( 6508 PWs) bands (ev): -24.8472 -24.8472 -24.8471 -24.8471 -8.5466 -8.5466 -8.5465 -8.5465 -8.2955 -8.2955 -8.2955 -8.2955 -8.2681 -8.2681 -8.2680 -8.2680 -3.6742 -3.6742 -3.6742 -3.6742 -2.4213 -2.4213 -2.4213 -2.4213 -2.1155 -2.1155 -2.1155 -2.1155 -0.7108 -0.7108 -0.7108 -0.7108 -0.6609 -0.6609 -0.6609 -0.6609 -0.2886 -0.2886 -0.2886 -0.2886 0.5685 0.5685 0.5686 0.5686 4.2303 4.2303 4.2303 4.2303 5.0647 5.0647 5.0647 5.0647 7.0356 7.0356 7.0356 7.0356 7.3223 7.3223 7.3223 7.3223 11.2963 11.2963 k = 0.4924 0.3018 0.2339 ( 6490 PWs) bands (ev): -24.8471 -24.8471 -24.8470 -24.8470 -8.5466 -8.5466 -8.5465 -8.5465 -8.2955 -8.2955 -8.2954 -8.2954 -8.2682 -8.2682 -8.2681 -8.2681 -3.6838 -3.6838 -3.6636 -3.6636 -2.4216 -2.4216 -2.4213 -2.4213 -2.1437 -2.1437 -2.0866 -2.0866 -0.7132 -0.7132 -0.7087 -0.7087 -0.6633 -0.6633 -0.6589 -0.6589 -0.3000 -0.3000 -0.2759 -0.2759 0.5664 0.5664 0.5710 0.5710 4.2112 4.2112 4.2299 4.2299 5.0621 5.0621 5.0694 5.0694 7.0301 7.0301 7.0640 7.0640 7.3158 7.3158 7.3325 7.3325 11.2954 11.2963 k = 0.4848 0.3149 0.2339 ( 6486 PWs) bands (ev): -24.8471 -24.8471 -24.8470 -24.8470 -8.5466 -8.5466 -8.5465 -8.5465 -8.2954 -8.2954 -8.2953 -8.2953 -8.2683 -8.2683 -8.2682 -8.2682 -3.6925 -3.6925 -3.6521 -3.6521 -2.4219 -2.4219 -2.4214 -2.4214 -2.1711 -2.1711 -2.0571 -2.0571 -0.7162 -0.7162 -0.7071 -0.7071 -0.6663 -0.6663 -0.6575 -0.6575 -0.3101 -0.3101 -0.2619 -0.2619 0.5645 0.5645 0.5738 0.5738 4.1737 4.1737 4.2102 4.2102 5.0618 5.0618 5.0760 5.0760 7.0454 7.0454 7.1146 7.1146 7.3123 7.3123 7.3483 7.3483 11.2933 11.2938 k = 0.4773 0.3280 0.2339 ( 6482 PWs) bands (ev): -24.8471 -24.8471 -24.8470 -24.8470 -8.5466 -8.5466 -8.5465 -8.5465 -8.2953 -8.2953 -8.2952 -8.2952 -8.2686 -8.2686 -8.2685 -8.2685 -3.7001 -3.7001 -3.6395 -3.6395 -2.4223 -2.4223 -2.4217 -2.4217 -2.1976 -2.1976 -2.0270 -2.0270 -0.7196 -0.7196 -0.7057 -0.7057 -0.6697 -0.6697 -0.6565 -0.6565 -0.3188 -0.3188 -0.2469 -0.2469 0.5629 0.5629 0.5770 0.5770 4.1199 4.1199 4.1725 4.1725 5.0639 5.0639 5.0843 5.0843 7.0765 7.0765 7.1836 7.1836 7.3133 7.3133 7.3738 7.3738 11.2900 11.2909 k = 0.4697 0.3412 0.2339 ( 6478 PWs) bands (ev): -24.8471 -24.8471 -24.8470 -24.8470 -8.5466 -8.5466 -8.5465 -8.5465 -8.2951 -8.2951 -8.2950 -8.2950 -8.2689 -8.2689 -8.2688 -8.2688 -3.7068 -3.7068 -3.6261 -3.6261 -2.4228 -2.4228 -2.4223 -2.4223 -2.2231 -2.2231 -1.9965 -1.9965 -0.7236 -0.7236 -0.7047 -0.7047 -0.6735 -0.6735 -0.6559 -0.6559 -0.3262 -0.3262 -0.2308 -0.2308 0.5614 0.5614 0.5804 0.5804 4.0527 4.0527 4.1193 4.1193 5.0681 5.0681 5.0939 5.0939 7.1149 7.1149 7.2536 7.2536 7.3333 7.3333 7.4152 7.4152 11.2845 11.2850 k = 0.4621 0.3543 0.2339 ( 6484 PWs) bands (ev): -24.8471 -24.8471 -24.8470 -24.8470 -8.5467 -8.5467 -8.5466 -8.5466 -8.2949 -8.2949 -8.2948 -8.2948 -8.2694 -8.2694 -8.2693 -8.2693 -3.7125 -3.7125 -3.6119 -3.6119 -2.4233 -2.4233 -2.4233 -2.4233 -2.2476 -2.2476 -1.9654 -1.9654 -0.7283 -0.7283 -0.7040 -0.7040 -0.6775 -0.6775 -0.6557 -0.6557 -0.3324 -0.3324 -0.2138 -0.2138 0.5600 0.5600 0.5840 0.5840 3.9752 3.9752 4.0533 4.0533 5.0742 5.0742 5.1048 5.1048 7.1506 7.1506 7.2798 7.2798 7.4141 7.4141 7.4796 7.4796 11.2715 11.2715 k = 0.4545 0.3674 0.2339 ( 6490 PWs) bands (ev): -24.8471 -24.8471 -24.8470 -24.8470 -8.5467 -8.5467 -8.5466 -8.5466 -8.2946 -8.2946 -8.2945 -8.2945 -8.2700 -8.2700 -8.2699 -8.2699 -3.7174 -3.7174 -3.5970 -3.5970 -2.4248 -2.4248 -2.4239 -2.4239 -2.2707 -2.2707 -1.9341 -1.9341 -0.7335 -0.7335 -0.7035 -0.7035 -0.6818 -0.6818 -0.6558 -0.6558 -0.3374 -0.3374 -0.1961 -0.1961 0.5586 0.5586 0.5878 0.5878 3.8903 3.8903 3.9775 3.9775 5.0822 5.0822 5.1168 5.1168 7.1775 7.1775 7.2832 7.2832 7.5317 7.5317 7.5704 7.5704 11.2236 11.2236 k = 0.4470 0.3805 0.2339 ( 6498 PWs) bands (ev): -24.8471 -24.8471 -24.8470 -24.8470 -8.5467 -8.5467 -8.5466 -8.5466 -8.2942 -8.2942 -8.2941 -8.2941 -8.2706 -8.2706 -8.2705 -8.2705 -3.7214 -3.7214 -3.5814 -3.5814 -2.4269 -2.4269 -2.4244 -2.4244 -2.2925 -2.2925 -1.9024 -1.9024 -0.7393 -0.7393 -0.7032 -0.7032 -0.6862 -0.6862 -0.6561 -0.6561 -0.3412 -0.3412 -0.1777 -0.1777 0.5569 0.5569 0.5915 0.5915 3.8007 3.8007 3.8948 3.8948 5.0917 5.0917 5.1300 5.1300 7.1951 7.1951 7.2823 7.2823 7.6646 7.6646 7.6850 7.6850 11.1457 11.1457 k = 0.4394 0.3936 0.2339 ( 6490 PWs) bands (ev): -24.8471 -24.8471 -24.8470 -24.8470 -8.5467 -8.5467 -8.5467 -8.5467 -8.2939 -8.2939 -8.2937 -8.2937 -8.2713 -8.2713 -8.2712 -8.2712 -3.7245 -3.7245 -3.5652 -3.5652 -2.4299 -2.4299 -2.4250 -2.4250 -2.3125 -2.3125 -1.8706 -1.8706 -0.7455 -0.7455 -0.7031 -0.7031 -0.6907 -0.6907 -0.6566 -0.6566 -0.3441 -0.3441 -0.1588 -0.1588 0.5550 0.5550 0.5951 0.5951 3.7088 3.7088 3.8076 3.8076 5.1027 5.1027 5.1442 5.1442 7.2058 7.2058 7.2800 7.2800 7.8075 7.8075 7.8184 7.8184 11.0649 11.0649 k = 0.4318 0.4068 0.2339 ( 6490 PWs) bands (ev): -24.8470 -24.8470 -24.8470 -24.8470 -8.5468 -8.5468 -8.5467 -8.5467 -8.2934 -8.2934 -8.2933 -8.2933 -8.2721 -8.2721 -8.2720 -8.2720 -3.7270 -3.7270 -3.5487 -3.5487 -2.4339 -2.4339 -2.4255 -2.4255 -2.3305 -2.3305 -1.8388 -1.8388 -0.7522 -0.7522 -0.7031 -0.7031 -0.6952 -0.6952 -0.6571 -0.6571 -0.3462 -0.3462 -0.1394 -0.1394 0.5526 0.5526 0.5984 0.5984 3.6166 3.6166 3.7182 3.7182 5.1149 5.1149 5.1593 5.1593 7.2116 7.2116 7.2768 7.2768 7.9573 7.9573 7.9660 7.9660 10.9863 10.9863 k = 0.4242 0.4199 0.2339 ( 6490 PWs) bands (ev): -24.8470 -24.8470 -24.8469 -24.8469 -8.5468 -8.5468 -8.5467 -8.5467 -8.2929 -8.2929 -8.2928 -8.2928 -8.2730 -8.2730 -8.2729 -8.2729 -3.7287 -3.7287 -3.5320 -3.5320 -2.4392 -2.4392 -2.4260 -2.4260 -2.3461 -2.3461 -1.8071 -1.8071 -0.7590 -0.7590 -0.7033 -0.7033 -0.6998 -0.6998 -0.6578 -0.6578 -0.3475 -0.3475 -0.1198 -0.1198 0.5496 0.5496 0.6010 0.6010 3.5259 3.5259 3.6287 3.6287 5.1281 5.1281 5.1753 5.1753 7.2139 7.2139 7.2729 7.2729 8.1118 8.1118 8.1241 8.1241 10.9112 10.9112 k = 0.4167 0.4330 0.2339 ( 6486 PWs) bands (ev): -24.8470 -24.8470 -24.8469 -24.8469 -8.5469 -8.5469 -8.5468 -8.5468 -8.2924 -8.2924 -8.2923 -8.2923 -8.2738 -8.2738 -8.2737 -8.2737 -3.7299 -3.7299 -3.5152 -3.5152 -2.4460 -2.4460 -2.4265 -2.4265 -2.3592 -2.3592 -1.7757 -1.7757 -0.7659 -0.7659 -0.7045 -0.7045 -0.7036 -0.7036 -0.6584 -0.6584 -0.3483 -0.3483 -0.1000 -0.1000 0.5459 0.5459 0.6029 0.6029 3.4382 3.4382 3.5407 3.5407 5.1422 5.1422 5.1919 5.1919 7.2137 7.2137 7.2682 7.2682 8.2687 8.2687 8.2900 8.2900 10.8402 10.8402 k = 0.4091 0.4461 0.2339 ( 6482 PWs) bands (ev): -24.8470 -24.8470 -24.8469 -24.8469 -8.5469 -8.5469 -8.5468 -8.5468 -8.2919 -8.2919 -8.2917 -8.2917 -8.2748 -8.2748 -8.2747 -8.2747 -3.7305 -3.7305 -3.4987 -3.4987 -2.4541 -2.4541 -2.4269 -2.4269 -2.3696 -2.3696 -1.7448 -1.7448 -0.7727 -0.7727 -0.7093 -0.7093 -0.7038 -0.7038 -0.6591 -0.6591 -0.3485 -0.3485 -0.0801 -0.0801 0.5413 0.5413 0.6037 0.6037 3.3548 3.3548 3.4559 3.4559 5.1568 5.1568 5.2090 5.2090 7.2115 7.2115 7.2627 7.2627 8.4257 8.4257 8.4611 8.4611 10.7738 10.7738 k = 0.4015 0.4593 0.2339 ( 6502 PWs) bands (ev): -24.8470 -24.8470 -24.8469 -24.8469 -8.5470 -8.5470 -8.5469 -8.5469 -8.2913 -8.2913 -8.2911 -8.2911 -8.2758 -8.2758 -8.2757 -8.2757 -3.7307 -3.7307 -3.4825 -3.4825 -2.4633 -2.4633 -2.4273 -2.4273 -2.3777 -2.3777 -1.7148 -1.7148 -0.7790 -0.7790 -0.7144 -0.7144 -0.7041 -0.7041 -0.6597 -0.6597 -0.3484 -0.3484 -0.0603 -0.0603 0.5358 0.5358 0.6033 0.6033 3.2768 3.2768 3.3755 3.3755 5.1718 5.1718 5.2263 5.2263 7.2076 7.2076 7.2565 7.2565 8.5805 8.5805 8.6352 8.6352 10.7123 10.7123 k = 0.3939 0.4724 0.2339 ( 6496 PWs) bands (ev): -24.8470 -24.8470 -24.8469 -24.8469 -8.5470 -8.5470 -8.5469 -8.5469 -8.2907 -8.2907 -8.2905 -8.2905 -8.2767 -8.2767 -8.2766 -8.2766 -3.7305 -3.7305 -3.4670 -3.4670 -2.4729 -2.4729 -2.4276 -2.4276 -2.3839 -2.3839 -1.6860 -1.6860 -0.7846 -0.7846 -0.7196 -0.7196 -0.7044 -0.7044 -0.6603 -0.6603 -0.3479 -0.3479 -0.0407 -0.0407 0.5293 0.5293 0.6013 0.6013 3.2051 3.2051 3.3008 3.3008 5.1868 5.1868 5.2436 5.2436 7.2023 7.2023 7.2497 7.2497 8.7306 8.7306 8.8098 8.8098 10.6561 10.6561 k = 0.3864 0.4855 0.2339 ( 6504 PWs) bands (ev): -24.8470 -24.8470 -24.8469 -24.8469 -8.5471 -8.5471 -8.5470 -8.5470 -8.2900 -8.2900 -8.2899 -8.2899 -8.2777 -8.2777 -8.2776 -8.2776 -3.7300 -3.7300 -3.4523 -3.4523 -2.4823 -2.4823 -2.4278 -2.4278 -2.3886 -2.3886 -1.6587 -1.6587 -0.7894 -0.7894 -0.7252 -0.7252 -0.7046 -0.7046 -0.6608 -0.6608 -0.3473 -0.3473 -0.0214 -0.0214 0.5220 0.5220 0.5976 0.5976 3.1406 3.1406 3.2328 3.2328 5.2016 5.2016 5.2604 5.2604 7.1960 7.1960 7.2424 7.2424 8.8729 8.8729 8.9822 8.9822 10.6054 10.6054 k = 0.3788 0.4986 0.2339 ( 6510 PWs) bands (ev): -24.8469 -24.8469 -24.8468 -24.8468 -8.5471 -8.5471 -8.5470 -8.5470 -8.2894 -8.2894 -8.2892 -8.2892 -8.2787 -8.2787 -8.2786 -8.2786 -3.7293 -3.7293 -3.4389 -3.4389 -2.4910 -2.4910 -2.4280 -2.4280 -2.3924 -2.3924 -1.6334 -1.6334 -0.7929 -0.7929 -0.7310 -0.7310 -0.7047 -0.7047 -0.6613 -0.6613 -0.3466 -0.3466 -0.0028 -0.0028 0.5139 0.5139 0.5923 0.5923 3.0839 3.0839 3.1725 3.1725 5.2158 5.2158 5.2764 5.2764 7.1890 7.1890 7.2348 7.2348 9.0041 9.0041 9.1491 9.1491 10.5608 10.5608 k = 0.3712 0.5117 0.2339 ( 6518 PWs) bands (ev): -24.8469 -24.8469 -24.8468 -24.8468 -8.5472 -8.5472 -8.5471 -8.5471 -8.2887 -8.2887 -8.2885 -8.2885 -8.2797 -8.2797 -8.2796 -8.2796 -3.7284 -3.7284 -3.4269 -3.4269 -2.4987 -2.4987 -2.4282 -2.4282 -2.3954 -2.3954 -1.6107 -1.6107 -0.7950 -0.7950 -0.7372 -0.7372 -0.7048 -0.7048 -0.6617 -0.6617 -0.3458 -0.3458 0.0149 0.0149 0.5055 0.5055 0.5855 0.5855 3.0355 3.0355 3.1205 3.1205 5.2290 5.2290 5.2913 5.2913 7.1816 7.1816 7.2272 7.2272 9.1205 9.1205 9.3062 9.3062 10.5229 10.5230 k = 0.3636 0.5249 0.2339 ( 6514 PWs) bands (ev): -24.8469 -24.8469 -24.8468 -24.8468 -8.5472 -8.5472 -8.5471 -8.5471 -8.2880 -8.2880 -8.2878 -8.2878 -8.2806 -8.2806 -8.2806 -8.2806 -3.7276 -3.7276 -3.4167 -3.4167 -2.5050 -2.5050 -2.4283 -2.4283 -2.3978 -2.3978 -1.5910 -1.5910 -0.7954 -0.7954 -0.7438 -0.7438 -0.7047 -0.7047 -0.6620 -0.6620 -0.3450 -0.3450 0.0312 0.0312 0.4970 0.4970 0.5775 0.5775 2.9958 2.9958 3.0774 3.0774 5.2408 5.2408 5.3046 5.3046 7.1743 7.1743 7.2198 7.2198 9.2188 9.2188 9.4477 9.4477 10.4931 10.4931 k = 0.3561 0.5380 0.2339 ( 6518 PWs) bands (ev): -24.8469 -24.8469 -24.8468 -24.8468 -8.5473 -8.5473 -8.5472 -8.5472 -8.2873 -8.2873 -8.2871 -8.2871 -8.2815 -8.2815 -8.2814 -8.2814 -3.7268 -3.7268 -3.4084 -3.4084 -2.5099 -2.5099 -2.4283 -2.4283 -2.3997 -2.3997 -1.5749 -1.5749 -0.7939 -0.7939 -0.7508 -0.7508 -0.7046 -0.7046 -0.6623 -0.6623 -0.3443 -0.3443 0.0455 0.0455 0.4890 0.4890 0.5690 0.5690 2.9650 2.9650 3.0438 3.0438 5.2507 5.2507 5.3157 5.3157 7.1676 7.1676 7.2132 7.2132 9.2957 9.2957 9.5663 9.5663 10.4725 10.4725 k = 0.3485 0.5511 0.2339 ( 6516 PWs) bands (ev): -24.8469 -24.8469 -24.8468 -24.8468 -8.5473 -8.5473 -8.5472 -8.5472 -8.2867 -8.2867 -8.2865 -8.2865 -8.2823 -8.2823 -8.2822 -8.2822 -3.7261 -3.7261 -3.4023 -3.4023 -2.5132 -2.5132 -2.4283 -2.4283 -2.4012 -2.4012 -1.5629 -1.5629 -0.7905 -0.7905 -0.7582 -0.7582 -0.7045 -0.7045 -0.6625 -0.6625 -0.3438 -0.3438 0.0570 0.0570 0.4823 0.4823 0.5611 0.5611 2.9431 2.9431 3.0198 3.0198 5.2584 5.2584 5.3243 5.3243 7.1621 7.1621 7.2079 7.2079 9.3496 9.3496 9.6545 9.6545 10.4620 10.4620 k = 0.3409 0.5642 0.2339 ( 6518 PWs) bands (ev): -24.8469 -24.8469 -24.8468 -24.8468 -8.5473 -8.5473 -8.5472 -8.5472 -8.2862 -8.2862 -8.2860 -8.2860 -8.2829 -8.2829 -8.2828 -8.2828 -3.7256 -3.7256 -3.3985 -3.3985 -2.5151 -2.5151 -2.4283 -2.4283 -2.4021 -2.4021 -1.5555 -1.5555 -0.7854 -0.7854 -0.7655 -0.7655 -0.7043 -0.7043 -0.6626 -0.6626 -0.3434 -0.3434 0.0647 0.0647 0.4775 0.4775 0.5552 0.5552 2.9301 2.9301 3.0055 3.0055 5.2633 5.2633 5.3298 5.3298 7.1583 7.1583 7.2042 7.2042 9.3806 9.3806 9.7068 9.7068 10.4596 10.4596 k = 0.3333 0.5774 0.2339 ( 6534 PWs) bands (ev): -24.8469 -24.8469 -24.8468 -24.8468 -8.5474 -8.5474 -8.5473 -8.5473 -8.2860 -8.2860 -8.2858 -8.2858 -8.2831 -8.2831 -8.2831 -8.2831 -3.7255 -3.7255 -3.3973 -3.3973 -2.5157 -2.5157 -2.4283 -2.4283 -2.4025 -2.4025 -1.5530 -1.5530 -0.7814 -0.7814 -0.7702 -0.7702 -0.7043 -0.7043 -0.6627 -0.6627 -0.3433 -0.3433 0.0675 0.0675 0.4758 0.4758 0.5529 0.5529 2.9258 2.9258 3.0008 3.0008 5.2651 5.2651 5.3317 5.3317 7.1570 7.1570 7.2029 7.2029 9.3903 9.3903 9.7232 9.7232 10.4601 10.4601 k = 0.3333 0.5774 0.2339 ( 6534 PWs) bands (ev): -24.8469 -24.8469 -24.8468 -24.8468 -8.5474 -8.5474 -8.5473 -8.5473 -8.2860 -8.2860 -8.2858 -8.2858 -8.2831 -8.2831 -8.2831 -8.2831 -3.7255 -3.7255 -3.3973 -3.3973 -2.5157 -2.5157 -2.4283 -2.4283 -2.4025 -2.4025 -1.5530 -1.5530 -0.7814 -0.7814 -0.7702 -0.7702 -0.7043 -0.7043 -0.6627 -0.6627 -0.3433 -0.3433 0.0675 0.0675 0.4758 0.4758 0.5529 0.5529 2.9258 2.9258 3.0008 3.0008 5.2651 5.2651 5.3317 5.3317 7.1570 7.1570 7.2029 7.2029 9.3903 9.3903 9.7232 9.7232 10.4601 10.4601 k = 0.3258 0.5642 0.2339 ( 6530 PWs) bands (ev): -24.8469 -24.8469 -24.8468 -24.8468 -8.5474 -8.5474 -8.5472 -8.5472 -8.2862 -8.2862 -8.2860 -8.2860 -8.2829 -8.2829 -8.2828 -8.2828 -3.7257 -3.7257 -3.3985 -3.3985 -2.5152 -2.5152 -2.4283 -2.4283 -2.4021 -2.4021 -1.5555 -1.5555 -0.7864 -0.7864 -0.7646 -0.7646 -0.7044 -0.7044 -0.6626 -0.6626 -0.3434 -0.3434 0.0645 0.0645 0.4779 0.4779 0.5557 0.5557 2.9300 2.9300 3.0054 3.0054 5.2632 5.2632 5.3296 5.3296 7.1585 7.1585 7.2044 7.2044 9.3816 9.3816 9.7092 9.7092 10.4582 10.4582 k = 0.3182 0.5511 0.2339 ( 6516 PWs) bands (ev): -24.8469 -24.8469 -24.8468 -24.8468 -8.5473 -8.5473 -8.5472 -8.5472 -8.2866 -8.2866 -8.2864 -8.2864 -8.2824 -8.2824 -8.2823 -8.2823 -3.7263 -3.7263 -3.4024 -3.4024 -2.5141 -2.5141 -2.4284 -2.4284 -2.4007 -2.4007 -1.5632 -1.5632 -0.7951 -0.7951 -0.7543 -0.7543 -0.7047 -0.7047 -0.6625 -0.6625 -0.3438 -0.3438 0.0549 0.0549 0.4848 0.4848 0.5651 0.5651 2.9423 2.9423 3.0190 3.0190 5.2574 5.2574 5.3232 5.3232 7.1637 7.1637 7.2093 7.2093 9.3580 9.3580 9.6725 9.6725 10.4515 10.4515 k = 0.3106 0.5380 0.2339 ( 6516 PWs) bands (ev): -24.8469 -24.8469 -24.8468 -24.8468 -8.5473 -8.5473 -8.5472 -8.5472 -8.2871 -8.2871 -8.2869 -8.2869 -8.2817 -8.2817 -8.2816 -8.2816 -3.7275 -3.7275 -3.4088 -3.4088 -2.5126 -2.5126 -2.4285 -2.4285 -2.3983 -2.3983 -1.5757 -1.5757 -0.8048 -0.8048 -0.7427 -0.7427 -0.7054 -0.7054 -0.6623 -0.6623 -0.3446 -0.3446 0.0390 0.0390 0.4974 0.4974 0.5819 0.5819 2.9622 2.9622 3.0411 3.0411 5.2473 5.2473 5.3121 5.3121 7.1729 7.1729 7.2181 7.2181 9.3224 9.3224 9.6199 9.6199 10.4403 10.4403 k = 0.3030 0.5249 0.2339 ( 6524 PWs) bands (ev): -24.8469 -24.8469 -24.8468 -24.8468 -8.5472 -8.5472 -8.5471 -8.5471 -8.2876 -8.2876 -8.2874 -8.2874 -8.2809 -8.2809 -8.2808 -8.2808 -3.7292 -3.7292 -3.4177 -3.4177 -2.5112 -2.5112 -2.4287 -2.4287 -2.3945 -2.3945 -1.5930 -1.5930 -0.8150 -0.8150 -0.7305 -0.7305 -0.7066 -0.7066 -0.6621 -0.6621 -0.3457 -0.3457 0.0174 0.0174 0.5165 0.5165 0.6061 0.6061 2.9895 2.9895 3.0713 3.0713 5.2328 5.2328 5.2962 5.2962 7.1865 7.1865 7.2312 7.2312 9.2776 9.2776 9.5565 9.5565 10.4250 10.4250 k = 0.2955 0.5117 0.2339 ( 6524 PWs) bands (ev): -24.8470 -24.8470 -24.8469 -24.8469 -8.5471 -8.5471 -8.5470 -8.5470 -8.2881 -8.2881 -8.2879 -8.2879 -8.2802 -8.2802 -8.2801 -8.2801 -3.7316 -3.7316 -3.4290 -3.4290 -2.5104 -2.5104 -2.4290 -2.4290 -2.3894 -2.3894 -1.6144 -1.6144 -0.8256 -0.8256 -0.7184 -0.7184 -0.7084 -0.7084 -0.6619 -0.6619 -0.3470 -0.3470 -0.0088 -0.0088 0.5427 0.5427 0.6377 0.6377 3.0235 3.0235 3.1089 3.1089 5.2138 5.2138 5.2755 5.2755 7.2049 7.2049 7.2489 7.2489 9.2259 9.2259 9.4858 9.4858 10.4053 10.4053 k = 0.2879 0.4986 0.2339 ( 6536 PWs) bands (ev): -24.8470 -24.8470 -24.8469 -24.8469 -8.5470 -8.5470 -8.5469 -8.5469 -8.2885 -8.2885 -8.2883 -8.2883 -8.2794 -8.2794 -8.2793 -8.2793 -3.7348 -3.7348 -3.4425 -3.4425 -2.5102 -2.5102 -2.4295 -2.4295 -2.3828 -2.3828 -1.6397 -1.6397 -0.8366 -0.8366 -0.7110 -0.7110 -0.7068 -0.7068 -0.6616 -0.6616 -0.3485 -0.3485 -0.0383 -0.0383 0.5765 0.5765 0.6763 0.6763 3.0640 3.0640 3.1535 3.1535 5.1903 5.1903 5.2499 5.2499 7.2281 7.2281 7.2713 7.2713 9.1690 9.1690 9.4103 9.4103 10.3802 10.3802 k = 0.2803 0.4855 0.2339 ( 6528 PWs) bands (ev): -24.8470 -24.8470 -24.8469 -24.8469 -8.5468 -8.5468 -8.5467 -8.5467 -8.2889 -8.2889 -8.2886 -8.2886 -8.2786 -8.2786 -8.2784 -8.2784 -3.7387 -3.7387 -3.4581 -3.4581 -2.5110 -2.5110 -2.4302 -2.4302 -2.3749 -2.3749 -1.6682 -1.6682 -0.8478 -0.8478 -0.7147 -0.7147 -0.6961 -0.6961 -0.6613 -0.6613 -0.3502 -0.3502 -0.0699 -0.0699 0.6180 0.6180 0.7213 0.7213 3.1104 3.1104 3.2044 3.2044 5.1623 5.1623 5.2198 5.2198 7.2562 7.2562 7.2987 7.2987 9.1083 9.1083 9.3316 9.3316 10.3481 10.3481 k = 0.2727 0.4724 0.2339 ( 6524 PWs) bands (ev): -24.8470 -24.8470 -24.8469 -24.8469 -8.5466 -8.5466 -8.5465 -8.5465 -8.2891 -8.2891 -8.2889 -8.2889 -8.2778 -8.2778 -8.2776 -8.2776 -3.7435 -3.7435 -3.4756 -3.4756 -2.5126 -2.5126 -2.4312 -2.4312 -2.3660 -2.3660 -1.6993 -1.6993 -0.8592 -0.8592 -0.7195 -0.7195 -0.6865 -0.6865 -0.6610 -0.6610 -0.3520 -0.3520 -0.1022 -0.1022 0.6673 0.6673 0.7725 0.7725 3.1623 3.1623 3.2612 3.2612 5.1303 5.1303 5.1853 5.1853 7.2891 7.2891 7.3309 7.3309 9.0448 9.0448 9.2510 9.2510 10.3077 10.3077 k = 0.2652 0.4593 0.2339 ( 6532 PWs) bands (ev): -24.8471 -24.8471 -24.8470 -24.8470 -8.5464 -8.5464 -8.5463 -8.5463 -8.2894 -8.2894 -8.2891 -8.2891 -8.2769 -8.2769 -8.2768 -8.2768 -3.7491 -3.7491 -3.4950 -3.4950 -2.5152 -2.5152 -2.4325 -2.4325 -2.3562 -2.3562 -1.7326 -1.7326 -0.8708 -0.8708 -0.7258 -0.7258 -0.6781 -0.6781 -0.6607 -0.6607 -0.3539 -0.3539 -0.1344 -0.1344 0.7244 0.7244 0.8295 0.8295 3.2193 3.2193 3.3233 3.3233 5.0943 5.0943 5.1469 5.1469 7.3267 7.3267 7.3679 7.3679 8.9793 8.9793 9.1691 9.1691 10.2587 10.2587 k = 0.2576 0.4461 0.2339 ( 6532 PWs) bands (ev): -24.8471 -24.8471 -24.8470 -24.8470 -8.5461 -8.5461 -8.5460 -8.5460 -8.2895 -8.2895 -8.2892 -8.2892 -8.2761 -8.2761 -8.2759 -8.2759 -3.7557 -3.7557 -3.5160 -3.5160 -2.5185 -2.5185 -2.4343 -2.4343 -2.3459 -2.3459 -1.7673 -1.7673 -0.8824 -0.8824 -0.7338 -0.7338 -0.6709 -0.6709 -0.6602 -0.6602 -0.3557 -0.3557 -0.1656 -0.1656 0.7890 0.7890 0.8921 0.8921 3.2811 3.2811 3.3902 3.3902 5.0549 5.0549 5.1049 5.1049 7.3686 7.3686 7.4095 7.4095 8.9125 8.9125 9.0868 9.0868 10.2019 10.2019 k = 0.2500 0.4330 0.2339 ( 6524 PWs) bands (ev): -24.8472 -24.8472 -24.8471 -24.8471 -8.5458 -8.5458 -8.5457 -8.5457 -8.2896 -8.2896 -8.2893 -8.2893 -8.2753 -8.2753 -8.2751 -8.2751 -3.7633 -3.7633 -3.5385 -3.5385 -2.5224 -2.5224 -2.4365 -2.4365 -2.3352 -2.3352 -1.8029 -1.8029 -0.8941 -0.8941 -0.7435 -0.7435 -0.6649 -0.6649 -0.6597 -0.6597 -0.3575 -0.3575 -0.1949 -0.1949 0.8607 0.8607 0.9601 0.9601 3.3472 3.3472 3.4616 3.4616 5.0123 5.0123 5.0599 5.0599 7.4146 7.4146 7.4554 7.4554 8.8450 8.8450 9.0044 9.0044 10.1393 10.1393 k = 0.2424 0.4199 0.2339 ( 6516 PWs) bands (ev): -24.8472 -24.8472 -24.8471 -24.8471 -8.5454 -8.5454 -8.5453 -8.5453 -8.2896 -8.2896 -8.2893 -8.2893 -8.2744 -8.2744 -8.2742 -8.2742 -3.7719 -3.7719 -3.5623 -3.5623 -2.5270 -2.5270 -2.4392 -2.4392 -2.3245 -2.3245 -1.8388 -1.8388 -0.9058 -0.9058 -0.7552 -0.7552 -0.6600 -0.6600 -0.6591 -0.6591 -0.3592 -0.3592 -0.2220 -0.2220 0.9393 0.9393 1.0334 1.0334 3.4173 3.4173 3.5368 3.5368 4.9670 4.9670 5.0124 5.0124 7.4642 7.4642 7.5054 7.5054 8.7770 8.7770 8.9223 8.9223 10.0728 10.0728 k = 0.2348 0.4068 0.2339 ( 6516 PWs) bands (ev): -24.8473 -24.8473 -24.8472 -24.8472 -8.5451 -8.5451 -8.5450 -8.5450 -8.2895 -8.2895 -8.2892 -8.2892 -8.2736 -8.2736 -8.2733 -8.2733 -3.7816 -3.7816 -3.5872 -3.5872 -2.5321 -2.5321 -2.4427 -2.4427 -2.3139 -2.3139 -1.8745 -1.8745 -0.9175 -0.9175 -0.7687 -0.7687 -0.6584 -0.6584 -0.6560 -0.6560 -0.3608 -0.3608 -0.2466 -0.2466 1.0243 1.0243 1.1119 1.1119 3.4910 3.4910 3.6154 3.6154 4.9196 4.9196 4.9628 4.9628 7.5168 7.5168 7.5590 7.5590 8.7090 8.7090 8.8410 8.8410 10.0044 10.0044 k = 0.2273 0.3936 0.2339 ( 6512 PWs) bands (ev): -24.8473 -24.8473 -24.8472 -24.8472 -8.5447 -8.5447 -8.5446 -8.5446 -8.2894 -8.2894 -8.2891 -8.2891 -8.2727 -8.2727 -8.2725 -8.2725 -3.7923 -3.7923 -3.6132 -3.6132 -2.5375 -2.5375 -2.4469 -2.4469 -2.3035 -2.3035 -1.9094 -1.9094 -0.9291 -0.9291 -0.7840 -0.7840 -0.6576 -0.6576 -0.6528 -0.6528 -0.3624 -0.3624 -0.2683 -0.2683 1.1154 1.1154 1.1955 1.1955 3.5679 3.5679 3.6971 3.6971 4.8704 4.8704 4.9118 4.9118 7.5720 7.5720 7.6159 7.6159 8.6413 8.6413 8.7607 8.7607 9.9355 9.9355 k = 0.2197 0.3805 0.2339 ( 6520 PWs) bands (ev): -24.8474 -24.8474 -24.8473 -24.8473 -8.5442 -8.5442 -8.5441 -8.5441 -8.2893 -8.2893 -8.2889 -8.2889 -8.2718 -8.2718 -8.2716 -8.2716 -3.8041 -3.8041 -3.6401 -3.6401 -2.5433 -2.5433 -2.4519 -2.4519 -2.2935 -2.2935 -1.9431 -1.9431 -0.9406 -0.9406 -0.8010 -0.8010 -0.6566 -0.6566 -0.6502 -0.6502 -0.3638 -0.3638 -0.2873 -0.2873 1.2121 1.2121 1.2840 1.2840 3.6477 3.6477 3.7812 3.7812 4.8199 4.8199 4.8599 4.8599 7.6289 7.6289 7.6755 7.6755 8.5741 8.5741 8.6819 8.6819 9.8672 9.8672 k = 0.2121 0.3674 0.2339 ( 6508 PWs) bands (ev): -24.8475 -24.8475 -24.8474 -24.8474 -8.5438 -8.5438 -8.5437 -8.5437 -8.2891 -8.2891 -8.2887 -8.2887 -8.2709 -8.2709 -8.2706 -8.2706 -3.8170 -3.8170 -3.6677 -3.6677 -2.5494 -2.5494 -2.4580 -2.4580 -2.2840 -2.2840 -1.9750 -1.9750 -0.9520 -0.9520 -0.8193 -0.8193 -0.6554 -0.6554 -0.6480 -0.6480 -0.3652 -0.3652 -0.3035 -0.3035 1.3142 1.3142 1.3774 1.3774 3.7300 3.7300 3.8671 3.8671 4.7686 4.7686 4.8078 4.8078 7.6866 7.6866 7.7370 7.7370 8.5081 8.5081 8.6055 8.6055 9.8005 9.8005 k = 0.2045 0.3543 0.2339 ( 6504 PWs) bands (ev): -24.8476 -24.8476 -24.8475 -24.8475 -8.5433 -8.5433 -8.5432 -8.5432 -8.2888 -8.2888 -8.2884 -8.2884 -8.2700 -8.2700 -8.2697 -8.2697 -3.8309 -3.8309 -3.6959 -3.6959 -2.5557 -2.5557 -2.4650 -2.4650 -2.2750 -2.2750 -2.0049 -2.0049 -0.9633 -0.9633 -0.8386 -0.8386 -0.6542 -0.6542 -0.6463 -0.6463 -0.3664 -0.3664 -0.3173 -0.3173 1.4213 1.4213 1.4756 1.4756 3.8142 3.8142 3.9541 3.9541 4.7171 4.7171 4.7563 4.7563 7.7435 7.7435 7.7995 7.7995 8.4438 8.4438 8.5326 8.5326 9.7359 9.7359 k = 0.1970 0.3412 0.2339 ( 6506 PWs) bands (ev): -24.8476 -24.8476 -24.8475 -24.8475 -8.5428 -8.5428 -8.5427 -8.5427 -8.2885 -8.2885 -8.2882 -8.2882 -8.2691 -8.2691 -8.2688 -8.2688 -3.8458 -3.8458 -3.7245 -3.7245 -2.5621 -2.5621 -2.4732 -2.4732 -2.2665 -2.2665 -2.0324 -2.0324 -0.9744 -0.9744 -0.8587 -0.8587 -0.6528 -0.6528 -0.6448 -0.6448 -0.3676 -0.3676 -0.3289 -0.3289 1.5331 1.5331 1.5784 1.5784 3.8999 3.8999 4.0410 4.0410 4.6661 4.6661 4.7065 4.7065 7.7973 7.7973 7.8612 7.8612 8.3828 8.3828 8.4652 8.4652 9.6740 9.6740 k = 0.1894 0.3280 0.2339 ( 6514 PWs) bands (ev): -24.8477 -24.8477 -24.8476 -24.8476 -8.5423 -8.5423 -8.5422 -8.5422 -8.2882 -8.2882 -8.2879 -8.2879 -8.2681 -8.2681 -8.2678 -8.2678 -3.8617 -3.8617 -3.7535 -3.7535 -2.5687 -2.5687 -2.4825 -2.4825 -2.2585 -2.2585 -2.0574 -2.0574 -0.9853 -0.9853 -0.8791 -0.8791 -0.6513 -0.6513 -0.6434 -0.6434 -0.3688 -0.3688 -0.3386 -0.3386 1.6492 1.6492 1.6857 1.6857 3.9860 3.9860 4.1257 4.1257 4.6164 4.6164 4.6605 4.6605 7.8438 7.8438 7.9185 7.9185 8.3282 8.3282 8.4070 8.4070 9.6152 9.6152 k = 0.1818 0.3149 0.2339 ( 6526 PWs) bands (ev): -24.8478 -24.8478 -24.8477 -24.8477 -8.5417 -8.5417 -8.5416 -8.5416 -8.2879 -8.2879 -8.2876 -8.2876 -8.2671 -8.2671 -8.2668 -8.2668 -3.8785 -3.8785 -3.7826 -3.7826 -2.5753 -2.5753 -2.4928 -2.4928 -2.2511 -2.2511 -2.0796 -2.0796 -0.9961 -0.9961 -0.8996 -0.8996 -0.6496 -0.6496 -0.6422 -0.6422 -0.3698 -0.3698 -0.3465 -0.3465 1.7695 1.7695 1.7974 1.7974 4.0710 4.0710 4.2045 4.2045 4.5697 4.5697 4.6222 4.6222 7.8766 7.8766 7.9637 7.9637 8.2873 8.2873 8.3642 8.3642 9.5597 9.5597 k = 0.1742 0.3018 0.2339 ( 6518 PWs) bands (ev): -24.8479 -24.8479 -24.8478 -24.8478 -8.5412 -8.5412 -8.5411 -8.5411 -8.2876 -8.2876 -8.2872 -8.2872 -8.2660 -8.2660 -8.2658 -8.2658 -3.8961 -3.8961 -3.8117 -3.8117 -2.5820 -2.5820 -2.5040 -2.5040 -2.2443 -2.2443 -2.0991 -2.0991 -1.0067 -1.0067 -0.9199 -0.9199 -0.6479 -0.6479 -0.6410 -0.6410 -0.3709 -0.3709 -0.3531 -0.3531 1.8937 1.8937 1.9133 1.9133 4.1518 4.1518 4.2690 4.2690 4.5291 4.5291 4.5997 4.5997 7.8870 7.8870 7.9829 7.9829 8.2735 8.2735 8.3451 8.3451 9.5080 9.5080 k = 0.1667 0.2887 0.2339 ( 6510 PWs) bands (ev): -24.8480 -24.8480 -24.8479 -24.8479 -8.5406 -8.5406 -8.5405 -8.5405 -8.2872 -8.2872 -8.2869 -8.2869 -8.2650 -8.2650 -8.2647 -8.2647 -3.9143 -3.9143 -3.8407 -3.8407 -2.5887 -2.5887 -2.5160 -2.5160 -2.2380 -2.2380 -2.1160 -2.1160 -1.0170 -1.0170 -0.9397 -0.9397 -0.6461 -0.6461 -0.6398 -0.6398 -0.3719 -0.3719 -0.3585 -0.3585 2.0215 2.0215 2.0333 2.0333 4.2205 4.2205 4.3051 4.3051 4.5023 4.5023 4.6071 4.6071 7.8697 7.8697 7.9660 7.9660 8.2963 8.2963 8.3542 8.3542 9.4602 9.4602 k = 0.1591 0.2756 0.2339 ( 6516 PWs) bands (ev): -24.8481 -24.8481 -24.8480 -24.8480 -8.5401 -8.5401 -8.5400 -8.5400 -8.2869 -8.2869 -8.2866 -8.2866 -8.2639 -8.2639 -8.2636 -8.2636 -3.9332 -3.9332 -3.8694 -3.8694 -2.5953 -2.5953 -2.5285 -2.5285 -2.2321 -2.2321 -2.1304 -2.1304 -1.0271 -1.0271 -0.9590 -0.9590 -0.6441 -0.6441 -0.6385 -0.6385 -0.3728 -0.3728 -0.3630 -0.3630 2.1526 2.1526 2.1572 2.1572 4.2606 4.2606 4.3058 4.3058 4.5059 4.5059 4.6511 4.6511 7.8280 7.8280 7.9217 7.9217 8.3464 8.3464 8.3882 8.3882 9.4166 9.4166 k = 0.1515 0.2624 0.2339 ( 6528 PWs) bands (ev): -24.8482 -24.8482 -24.8481 -24.8481 -8.5395 -8.5395 -8.5394 -8.5394 -8.2866 -8.2866 -8.2863 -8.2863 -8.2628 -8.2628 -8.2625 -8.2625 -3.9525 -3.9525 -3.8977 -3.8977 -2.6019 -2.6019 -2.5414 -2.5414 -2.2268 -2.2268 -2.1425 -2.1425 -1.0369 -1.0369 -0.9774 -0.9774 -0.6422 -0.6422 -0.6372 -0.6372 -0.3737 -0.3737 -0.3666 -0.3666 2.2847 2.2847 2.2868 2.2868 4.2609 4.2609 4.2821 4.2821 4.5511 4.5511 4.7207 4.7207 7.7694 7.7694 7.8628 7.8628 8.4104 8.4104 8.4386 8.4386 9.3773 9.3773 k = 0.1439 0.2493 0.2339 ( 6532 PWs) bands (ev): -24.8483 -24.8483 -24.8482 -24.8482 -8.5390 -8.5390 -8.5389 -8.5389 -8.2862 -8.2862 -8.2860 -8.2860 -8.2616 -8.2616 -8.2614 -8.2614 -3.9722 -3.9722 -3.9255 -3.9255 -2.6084 -2.6084 -2.5544 -2.5544 -2.2220 -2.2220 -2.1525 -2.1525 -1.0465 -1.0465 -0.9951 -0.9951 -0.6401 -0.6401 -0.6359 -0.6359 -0.3746 -0.3746 -0.3696 -0.3696 2.4157 2.4157 2.4239 2.4239 4.2356 4.2356 4.2472 4.2472 4.6233 4.6233 4.8026 4.8026 7.7003 7.7003 7.7960 7.7960 8.4809 8.4809 8.4987 8.4987 9.3425 9.3425 k = 0.1364 0.2362 0.2339 ( 6536 PWs) bands (ev): -24.8484 -24.8484 -24.8483 -24.8483 -8.5385 -8.5385 -8.5384 -8.5384 -8.2859 -8.2859 -8.2857 -8.2857 -8.2604 -8.2604 -8.2602 -8.2602 -3.9920 -3.9920 -3.9526 -3.9526 -2.6147 -2.6147 -2.5672 -2.5672 -2.2175 -2.2175 -2.1608 -2.1608 -1.0557 -1.0557 -1.0118 -1.0118 -0.6381 -0.6381 -0.6345 -0.6345 -0.3754 -0.3754 -0.3721 -0.3721 2.5500 2.5500 2.5635 2.5635 4.2004 4.2004 4.2079 4.2079 4.7069 4.7069 4.8896 4.8896 7.6243 7.6243 7.7239 7.7239 8.5542 8.5542 8.5641 8.5641 9.3125 9.3125 k = 0.1288 0.2231 0.2339 ( 6536 PWs) bands (ev): -24.8485 -24.8485 -24.8484 -24.8484 -8.5380 -8.5380 -8.5379 -8.5379 -8.2856 -8.2856 -8.2854 -8.2854 -8.2592 -8.2592 -8.2591 -8.2591 -4.0119 -4.0119 -3.9790 -3.9790 -2.6209 -2.6209 -2.5798 -2.5798 -2.2135 -2.2135 -2.1675 -2.1675 -1.0646 -1.0646 -1.0275 -1.0275 -0.6360 -0.6360 -0.6330 -0.6330 -0.3762 -0.3762 -0.3741 -0.3741 2.6872 2.6872 2.7053 2.7053 4.1621 4.1621 4.1675 4.1675 4.7949 4.7949 4.9782 4.9782 7.5436 7.5436 7.6476 7.6476 8.6285 8.6285 8.6320 8.6320 9.2873 9.2873 k = 0.1212 0.2099 0.2339 ( 6536 PWs) bands (ev): -24.8486 -24.8486 -24.8485 -24.8485 -8.5375 -8.5375 -8.5374 -8.5374 -8.2854 -8.2854 -8.2852 -8.2852 -8.2581 -8.2581 -8.2579 -8.2579 -4.0316 -4.0316 -4.0045 -4.0045 -2.6270 -2.6270 -2.5918 -2.5918 -2.2099 -2.2099 -2.1728 -2.1728 -1.0732 -1.0732 -1.0422 -1.0422 -0.6339 -0.6339 -0.6314 -0.6314 -0.3770 -0.3770 -0.3757 -0.3757 2.8269 2.8269 2.8490 2.8490 4.1236 4.1236 4.1277 4.1277 4.8842 4.8842 5.0664 5.0664 7.4591 7.4591 7.5675 7.5675 8.7005 8.7005 8.7022 8.7022 9.2672 9.2672 k = 0.1136 0.1968 0.2339 ( 6540 PWs) bands (ev): -24.8487 -24.8487 -24.8486 -24.8486 -8.5370 -8.5370 -8.5369 -8.5369 -8.2851 -8.2851 -8.2849 -8.2849 -8.2569 -8.2569 -8.2567 -8.2567 -4.0511 -4.0511 -4.0290 -4.0290 -2.6328 -2.6328 -2.6033 -2.6033 -2.2066 -2.2066 -2.1771 -2.1771 -1.0815 -1.0815 -1.0558 -1.0558 -0.6318 -0.6318 -0.6298 -0.6298 -0.3777 -0.3777 -0.3771 -0.3771 2.9688 2.9688 2.9940 2.9940 4.0867 4.0867 4.0896 4.0896 4.9732 4.9732 5.1532 5.1532 7.3713 7.3713 7.4833 7.4833 8.7681 8.7681 8.7745 8.7745 9.2523 9.2523 k = 0.1061 0.1837 0.2339 ( 6536 PWs) bands (ev): -24.8487 -24.8487 -24.8486 -24.8486 -8.5365 -8.5365 -8.5365 -8.5365 -8.2849 -8.2849 -8.2847 -8.2847 -8.2557 -8.2557 -8.2555 -8.2555 -4.0701 -4.0701 -4.0523 -4.0523 -2.6384 -2.6384 -2.6140 -2.6140 -2.2036 -2.2036 -2.1804 -2.1804 -1.0893 -1.0893 -1.0684 -1.0684 -0.6298 -0.6298 -0.6282 -0.6282 -0.3784 -0.3784 -0.3782 -0.3782 3.1120 3.1120 3.1395 3.1395 4.0523 4.0523 4.0542 4.0542 5.0609 5.0609 5.2373 5.2373 7.2805 7.2805 7.3950 7.3950 8.8337 8.8337 8.8442 8.8442 9.2429 9.2430 k = 0.0985 0.1706 0.2339 ( 6536 PWs) bands (ev): -24.8488 -24.8488 -24.8487 -24.8487 -8.5361 -8.5361 -8.5360 -8.5360 -8.2846 -8.2846 -8.2845 -8.2845 -8.2545 -8.2545 -8.2544 -8.2544 -4.0886 -4.0886 -4.0745 -4.0745 -2.6437 -2.6437 -2.6240 -2.6240 -2.2010 -2.2010 -2.1829 -2.1829 -1.0967 -1.0967 -1.0801 -1.0801 -0.6278 -0.6278 -0.6266 -0.6266 -0.3791 -0.3791 -0.3791 -0.3791 3.2556 3.2556 3.2843 3.2843 4.0221 4.0221 4.0227 4.0227 5.1464 5.1464 5.3180 5.3180 7.1868 7.1868 7.3024 7.3024 8.8961 8.8961 8.9103 8.9103 9.2393 9.2393 k = 0.0909 0.1575 0.2339 ( 6536 PWs) bands (ev): -24.8489 -24.8489 -24.8488 -24.8488 -8.5357 -8.5357 -8.5356 -8.5356 -8.2845 -8.2845 -8.2843 -8.2843 -8.2534 -8.2534 -8.2533 -8.2533 -4.1063 -4.1063 -4.0953 -4.0953 -2.6488 -2.6488 -2.6331 -2.6331 -2.1986 -2.1986 -2.1848 -2.1848 -1.1037 -1.1037 -1.0906 -1.0906 -0.6258 -0.6258 -0.6249 -0.6249 -0.3798 -0.3798 -0.3797 -0.3797 3.3974 3.3974 3.4260 3.4260 3.9973 3.9973 3.9983 3.9983 5.2290 5.2290 5.3943 5.3943 7.0902 7.0902 7.2052 7.2052 8.9540 8.9540 8.9717 8.9717 9.2415 9.2415 k = 0.0833 0.1443 0.2339 ( 6536 PWs) bands (ev): -24.8490 -24.8490 -24.8489 -24.8489 -8.5354 -8.5354 -8.5353 -8.5353 -8.2843 -8.2843 -8.2842 -8.2842 -8.2523 -8.2523 -8.2522 -8.2522 -4.1232 -4.1232 -4.1148 -4.1148 -2.6536 -2.6536 -2.6414 -2.6414 -2.1966 -2.1966 -2.1862 -2.1862 -1.1103 -1.1103 -1.1002 -1.1002 -0.6240 -0.6240 -0.6233 -0.6233 -0.3805 -0.3805 -0.3802 -0.3802 3.5326 3.5326 3.5590 3.5590 3.9823 3.9823 3.9863 3.9863 5.3079 5.3079 5.4655 5.4655 6.9909 6.9909 7.1034 7.1034 9.0065 9.0065 9.0275 9.0275 9.2497 9.2497 k = 0.0758 0.1312 0.2339 ( 6536 PWs) bands (ev): -24.8490 -24.8490 -24.8489 -24.8489 -8.5350 -8.5350 -8.5349 -8.5349 -8.2841 -8.2841 -8.2840 -8.2840 -8.2513 -8.2513 -8.2512 -8.2512 -4.1390 -4.1390 -4.1328 -4.1328 -2.6581 -2.6581 -2.6489 -2.6489 -2.1947 -2.1947 -2.1871 -2.1871 -1.1164 -1.1164 -1.1089 -1.1089 -0.6222 -0.6222 -0.6217 -0.6217 -0.3810 -0.3810 -0.3807 -0.3807 3.6499 3.6499 3.6702 3.6702 3.9893 3.9893 3.9992 3.9992 5.3824 5.3824 5.5306 5.5306 6.8890 6.8890 6.9971 6.9971 9.0525 9.0525 9.0766 9.0766 9.2636 9.2636 k = 0.0682 0.1181 0.2339 ( 6548 PWs) bands (ev): -24.8491 -24.8491 -24.8490 -24.8490 -8.5347 -8.5347 -8.5346 -8.5346 -8.2840 -8.2840 -8.2839 -8.2839 -8.2503 -8.2503 -8.2502 -8.2502 -4.1538 -4.1538 -4.1493 -4.1493 -2.6623 -2.6623 -2.6555 -2.6555 -2.1932 -2.1932 -2.1877 -2.1877 -1.1220 -1.1220 -1.1165 -1.1165 -0.6206 -0.6206 -0.6202 -0.6202 -0.3814 -0.3814 -0.3811 -0.3811 3.7272 3.7272 3.7380 3.7380 4.0396 4.0396 4.0581 4.0581 5.4516 5.4516 5.5887 5.5887 6.7850 6.7850 6.8865 6.8865 9.0920 9.0920 9.1185 9.1185 9.2822 9.2822 k = 0.0606 0.1050 0.2339 ( 6552 PWs) bands (ev): -24.8492 -24.8492 -24.8491 -24.8491 -8.5345 -8.5345 -8.5344 -8.5344 -8.2839 -8.2839 -8.2838 -8.2838 -8.2494 -8.2494 -8.2493 -8.2493 -4.1673 -4.1673 -4.1641 -4.1641 -2.6661 -2.6661 -2.6613 -2.6613 -2.1918 -2.1918 -2.1880 -2.1880 -1.1272 -1.1272 -1.1233 -1.1233 -0.6190 -0.6190 -0.6188 -0.6188 -0.3817 -0.3817 -0.3815 -0.3815 3.7569 3.7569 3.7611 3.7611 4.1407 4.1407 4.1639 4.1639 5.5144 5.5144 5.6385 5.6385 6.6797 6.6797 6.7726 6.7726 9.1254 9.1254 9.1530 9.1530 9.3035 9.3035 k = 0.0530 0.0919 0.2339 ( 6552 PWs) bands (ev): -24.8492 -24.8492 -24.8491 -24.8491 -8.5342 -8.5342 -8.5341 -8.5341 -8.2838 -8.2838 -8.2837 -8.2837 -8.2486 -8.2486 -8.2485 -8.2485 -4.1795 -4.1795 -4.1774 -4.1774 -2.6695 -2.6695 -2.6663 -2.6663 -2.1907 -2.1907 -2.1882 -2.1882 -1.1317 -1.1317 -1.1292 -1.1292 -0.6176 -0.6176 -0.6175 -0.6175 -0.3820 -0.3820 -0.3819 -0.3819 3.7599 3.7599 3.7615 3.7615 4.2709 4.2709 4.2941 4.2941 5.5696 5.5696 5.6785 5.6785 6.5744 6.5744 6.6566 6.6566 9.1537 9.1537 9.1803 9.1803 9.3248 9.3248 k = 0.0455 0.0787 0.2339 ( 6556 PWs) bands (ev): -24.8493 -24.8493 -24.8492 -24.8492 -8.5340 -8.5340 -8.5339 -8.5339 -8.2837 -8.2837 -8.2836 -8.2836 -8.2478 -8.2478 -8.2477 -8.2477 -4.1902 -4.1902 -4.1889 -4.1889 -2.6726 -2.6726 -2.6706 -2.6706 -2.1897 -2.1897 -2.1882 -2.1882 -1.1358 -1.1358 -1.1342 -1.1342 -0.6164 -0.6164 -0.6163 -0.6163 -0.3823 -0.3823 -0.3822 -0.3822 3.7532 3.7532 3.7538 3.7538 4.4124 4.4124 4.4331 4.4331 5.6153 5.6153 5.7068 5.7068 6.4714 6.4714 6.5406 6.5406 9.1778 9.1778 9.2012 9.2012 9.3431 9.3431 k = 0.0379 0.0656 0.2339 ( 6548 PWs) bands (ev): -24.8493 -24.8493 -24.8492 -24.8492 -8.5338 -8.5338 -8.5338 -8.5338 -8.2836 -8.2836 -8.2836 -8.2836 -8.2472 -8.2472 -8.2471 -8.2471 -4.1995 -4.1995 -4.1987 -4.1987 -2.6753 -2.6753 -2.6741 -2.6741 -2.1890 -2.1890 -2.1881 -2.1881 -1.1393 -1.1393 -1.1383 -1.1383 -0.6154 -0.6154 -0.6153 -0.6153 -0.3825 -0.3825 -0.3824 -0.3824 3.7438 3.7438 3.7440 3.7440 4.5567 4.5567 4.5737 4.5737 5.6490 5.6490 5.7206 5.7206 6.3743 6.3743 6.4283 6.4283 9.1985 9.1985 9.2168 9.2168 9.3558 9.3558 k = 0.0303 0.0525 0.2339 ( 6552 PWs) bands (ev): -24.8493 -24.8493 -24.8493 -24.8493 -8.5337 -8.5337 -8.5336 -8.5336 -8.2836 -8.2836 -8.2835 -8.2835 -8.2467 -8.2467 -8.2466 -8.2466 -4.2072 -4.2072 -4.2068 -4.2068 -2.6775 -2.6775 -2.6769 -2.6769 -2.1884 -2.1884 -2.1879 -2.1879 -1.1421 -1.1421 -1.1417 -1.1417 -0.6145 -0.6145 -0.6145 -0.6145 -0.3826 -0.3826 -0.3826 -0.3826 3.7344 3.7344 3.7345 3.7345 4.6989 4.6989 4.7114 4.7114 5.6668 5.6668 5.7165 5.7165 6.2881 6.2881 6.3251 6.3251 9.2157 9.2157 9.2281 9.2281 9.3615 9.3615 k = 0.0227 0.0394 0.2339 ( 6558 PWs) bands (ev): -24.8494 -24.8494 -24.8493 -24.8493 -8.5336 -8.5336 -8.5335 -8.5335 -8.2836 -8.2836 -8.2835 -8.2835 -8.2463 -8.2463 -8.2462 -8.2462 -4.2132 -4.2132 -4.2131 -4.2131 -2.6793 -2.6793 -2.6790 -2.6790 -2.1880 -2.1880 -2.1878 -2.1878 -1.1444 -1.1444 -1.1442 -1.1442 -0.6138 -0.6138 -0.6138 -0.6138 -0.3828 -0.3828 -0.3827 -0.3827 3.7265 3.7265 3.7265 3.7265 4.8339 4.8339 4.8417 4.8417 5.6644 5.6644 5.6922 5.6922 6.2189 6.2189 6.2389 6.2389 9.2293 9.2293 9.2360 9.2360 9.3608 9.3609 k = 0.0152 0.0262 0.2339 ( 6552 PWs) bands (ev): -24.8494 -24.8494 -24.8493 -24.8493 -8.5335 -8.5335 -8.5334 -8.5334 -8.2835 -8.2835 -8.2834 -8.2834 -8.2460 -8.2460 -8.2459 -8.2459 -4.2176 -4.2176 -4.2176 -4.2176 -2.6806 -2.6806 -2.6805 -2.6805 -2.1877 -2.1877 -2.1876 -2.1876 -1.1461 -1.1461 -1.1460 -1.1460 -0.6133 -0.6133 -0.6133 -0.6133 -0.3828 -0.3828 -0.3828 -0.3828 3.7205 3.7205 3.7205 3.7205 4.9537 4.9537 4.9572 4.9572 5.6405 5.6405 5.6510 5.6510 6.1703 6.1703 6.1774 6.1774 9.2389 9.2389 9.2413 9.2413 9.3566 9.3566 k = 0.0076 0.0131 0.2339 ( 6532 PWs) bands (ev): -24.8494 -24.8494 -24.8493 -24.8493 -8.5335 -8.5335 -8.5334 -8.5334 -8.2835 -8.2835 -8.2834 -8.2834 -8.2458 -8.2458 -8.2457 -8.2457 -4.2202 -4.2202 -4.2202 -4.2202 -2.6814 -2.6814 -2.6814 -2.6814 -2.1875 -2.1875 -2.1875 -2.1875 -1.1471 -1.1471 -1.1471 -1.1471 -0.6130 -0.6130 -0.6130 -0.6130 -0.3829 -0.3829 -0.3829 -0.3829 3.7167 3.7167 3.7168 3.7168 5.0433 5.0433 5.0439 5.0439 5.6061 5.6061 5.6077 5.6077 6.1423 6.1423 6.1432 6.1432 9.2444 9.2444 9.2447 9.2447 9.3522 9.3522 k = 0.0000 0.0000 0.2339 ( 6520 PWs) bands (ev): -24.8494 -24.8494 -24.8493 -24.8493 -8.5334 -8.5334 -8.5333 -8.5333 -8.2835 -8.2835 -8.2834 -8.2834 -8.2457 -8.2457 -8.2456 -8.2456 -4.2211 -4.2211 -4.2211 -4.2211 -2.6817 -2.6817 -2.6817 -2.6817 -2.1875 -2.1875 -2.1875 -2.1875 -1.1474 -1.1474 -1.1474 -1.1474 -0.6129 -0.6129 -0.6129 -0.6129 -0.3829 -0.3829 -0.3829 -0.3829 3.7155 3.7155 3.7155 3.7155 5.0782 5.0782 5.0782 5.0782 5.5882 5.5882 5.5882 5.5882 6.1330 6.1330 6.1330 6.1330 9.2460 9.2460 9.2460 9.2460 9.3503 9.3503 k = 0.5000 0.2887 0.2339 ( 6508 PWs) bands (ev): -24.8472 -24.8472 -24.8471 -24.8471 -8.5466 -8.5466 -8.5465 -8.5465 -8.2955 -8.2955 -8.2955 -8.2955 -8.2681 -8.2681 -8.2680 -8.2680 -3.6742 -3.6742 -3.6742 -3.6742 -2.4213 -2.4213 -2.4213 -2.4213 -2.1155 -2.1155 -2.1155 -2.1155 -0.7108 -0.7108 -0.7108 -0.7108 -0.6609 -0.6609 -0.6609 -0.6609 -0.2886 -0.2886 -0.2886 -0.2886 0.5685 0.5685 0.5686 0.5686 4.2303 4.2303 4.2303 4.2303 5.0647 5.0647 5.0647 5.0647 7.0356 7.0356 7.0356 7.0356 7.3223 7.3223 7.3223 7.3223 11.2963 11.2963 k = 0.5000 0.2887 0.2193 ( 6490 PWs) bands (ev): -24.8471 -24.8471 -24.8470 -24.8470 -8.5467 -8.5467 -8.5465 -8.5465 -8.2956 -8.2956 -8.2954 -8.2954 -8.2683 -8.2683 -8.2678 -8.2678 -3.6755 -3.6755 -3.6730 -3.6730 -2.4218 -2.4218 -2.4209 -2.4209 -2.1156 -2.1156 -2.1154 -2.1154 -0.7116 -0.7116 -0.7099 -0.7099 -0.6612 -0.6612 -0.6605 -0.6605 -0.2894 -0.2894 -0.2878 -0.2878 0.5598 0.5598 0.5774 0.5774 4.2269 4.2269 4.2338 4.2338 5.0432 5.0432 5.0851 5.0851 7.0034 7.0034 7.0677 7.0677 7.2720 7.2720 7.3794 7.3794 11.1971 11.1971 k = 0.5000 0.2887 0.2047 ( 6494 PWs) bands (ev): -24.8471 -24.8471 -24.8470 -24.8470 -8.5468 -8.5468 -8.5464 -8.5464 -8.2957 -8.2957 -8.2953 -8.2953 -8.2685 -8.2685 -8.2675 -8.2675 -3.6767 -3.6767 -3.6717 -3.6717 -2.4223 -2.4223 -2.4204 -2.4204 -2.1157 -2.1157 -2.1153 -2.1153 -0.7125 -0.7125 -0.7090 -0.7090 -0.6615 -0.6615 -0.6602 -0.6602 -0.2902 -0.2902 -0.2871 -0.2871 0.5513 0.5513 0.5863 0.5863 4.2235 4.2235 4.2371 4.2371 5.0212 5.0212 5.1042 5.1042 6.9715 6.9715 7.0991 7.0991 7.2285 7.2285 7.4431 7.4431 11.0946 11.0946 k = 0.5000 0.2887 0.1901 ( 6498 PWs) bands (ev): -24.8472 -24.8472 -24.8470 -24.8470 -8.5469 -8.5469 -8.5463 -8.5463 -8.2959 -8.2959 -8.2953 -8.2953 -8.2687 -8.2687 -8.2672 -8.2672 -3.6780 -3.6780 -3.6705 -3.6705 -2.4227 -2.4227 -2.4199 -2.4199 -2.1159 -2.1159 -2.1152 -2.1152 -0.7133 -0.7133 -0.7082 -0.7082 -0.6618 -0.6618 -0.6599 -0.6599 -0.2910 -0.2910 -0.2865 -0.2865 0.5430 0.5430 0.5951 0.5951 4.2202 4.2202 4.2404 4.2404 4.9988 4.9988 5.1217 5.1217 6.9405 6.9405 7.1291 7.1291 7.1921 7.1921 7.5130 7.5130 10.9931 10.9931 k = 0.5000 0.2887 0.1755 ( 6486 PWs) bands (ev): -24.8472 -24.8472 -24.8470 -24.8470 -8.5470 -8.5470 -8.5462 -8.5462 -8.2960 -8.2960 -8.2952 -8.2952 -8.2688 -8.2688 -8.2669 -8.2669 -3.6792 -3.6792 -3.6693 -3.6693 -2.4232 -2.4232 -2.4195 -2.4195 -2.1160 -2.1160 -2.1151 -2.1151 -0.7141 -0.7141 -0.7073 -0.7073 -0.6621 -0.6621 -0.6595 -0.6595 -0.2918 -0.2918 -0.2858 -0.2858 0.5351 0.5351 0.6038 0.6038 4.2169 4.2169 4.2436 4.2436 4.9766 4.9766 5.1373 5.1373 6.9110 6.9110 7.1497 7.1497 7.1701 7.1701 7.5884 7.5884 10.8945 10.8945 k = 0.5000 0.2887 0.1608 ( 6490 PWs) bands (ev): -24.8472 -24.8472 -24.8470 -24.8470 -8.5471 -8.5471 -8.5461 -8.5461 -8.2962 -8.2962 -8.2952 -8.2952 -8.2689 -8.2689 -8.2666 -8.2666 -3.6803 -3.6803 -3.6682 -3.6682 -2.4236 -2.4236 -2.4190 -2.4190 -2.1161 -2.1161 -2.1150 -2.1150 -0.7149 -0.7149 -0.7065 -0.7065 -0.6624 -0.6624 -0.6592 -0.6592 -0.2926 -0.2926 -0.2853 -0.2853 0.5276 0.5276 0.6122 0.6122 4.2138 4.2138 4.2467 4.2467 4.9548 4.9548 5.1509 5.1509 6.8836 6.8836 7.1319 7.1319 7.1909 7.1909 7.6687 7.6687 10.7999 10.7999 k = 0.5000 0.2887 0.1462 ( 6490 PWs) bands (ev): -24.8472 -24.8472 -24.8470 -24.8470 -8.5472 -8.5472 -8.5461 -8.5461 -8.2964 -8.2964 -8.2952 -8.2952 -8.2691 -8.2691 -8.2663 -8.2663 -3.6814 -3.6814 -3.6671 -3.6671 -2.4240 -2.4240 -2.4186 -2.4186 -2.1162 -2.1162 -2.1149 -2.1149 -0.7156 -0.7156 -0.7057 -0.7057 -0.6626 -0.6626 -0.6588 -0.6588 -0.2935 -0.2935 -0.2848 -0.2848 0.5206 0.5206 0.6203 0.6203 4.2108 4.2108 4.2496 4.2496 4.9338 4.9338 5.1624 5.1624 6.8587 6.8587 7.1123 7.1123 7.2170 7.2170 7.7531 7.7531 10.7101 10.7101 k = 0.5000 0.2887 0.1316 ( 6498 PWs) bands (ev): -24.8472 -24.8472 -24.8470 -24.8470 -8.5473 -8.5473 -8.5460 -8.5460 -8.2965 -8.2965 -8.2952 -8.2952 -8.2691 -8.2691 -8.2660 -8.2660 -3.6824 -3.6824 -3.6661 -3.6661 -2.4244 -2.4244 -2.4182 -2.4182 -2.1163 -2.1163 -2.1148 -2.1148 -0.7162 -0.7162 -0.7050 -0.7050 -0.6629 -0.6629 -0.6585 -0.6585 -0.2942 -0.2942 -0.2843 -0.2843 0.5140 0.5140 0.6280 0.6280 4.2080 4.2080 4.2523 4.2523 4.9138 4.9138 5.1718 5.1718 6.8364 6.8364 7.0969 7.0969 7.2420 7.2420 7.8407 7.8407 10.6259 10.6259 k = 0.5000 0.2887 0.1170 ( 6494 PWs) bands (ev): -24.8473 -24.8473 -24.8469 -24.8469 -8.5474 -8.5474 -8.5460 -8.5460 -8.2967 -8.2967 -8.2952 -8.2952 -8.2692 -8.2692 -8.2658 -8.2658 -3.6834 -3.6834 -3.6652 -3.6652 -2.4247 -2.4247 -2.4179 -2.4179 -2.1164 -2.1164 -2.1147 -2.1147 -0.7168 -0.7168 -0.7043 -0.7043 -0.6631 -0.6631 -0.6582 -0.6582 -0.2950 -0.2950 -0.2839 -0.2839 0.5081 0.5081 0.6351 0.6351 4.2054 4.2054 4.2548 4.2548 4.8953 4.8953 5.1793 5.1793 6.8168 6.8168 7.0854 7.0854 7.2652 7.2652 7.9303 7.9303 10.5475 10.5475 k = 0.5000 0.2887 0.1023 ( 6506 PWs) bands (ev): -24.8473 -24.8473 -24.8469 -24.8469 -8.5475 -8.5475 -8.5459 -8.5459 -8.2968 -8.2968 -8.2953 -8.2953 -8.2692 -8.2692 -8.2655 -8.2655 -3.6842 -3.6842 -3.6643 -3.6643 -2.4250 -2.4250 -2.4175 -2.4175 -2.1164 -2.1164 -2.1147 -2.1147 -0.7174 -0.7174 -0.7037 -0.7037 -0.6633 -0.6633 -0.6579 -0.6579 -0.2957 -0.2957 -0.2835 -0.2835 0.5028 0.5028 0.6416 0.6416 4.2030 4.2030 4.2570 4.2570 4.8783 4.8783 5.1850 5.1850 6.7999 6.7999 7.0775 7.0775 7.2862 7.2862 8.0207 8.0207 10.4667 10.4667 k = 0.5000 0.2887 0.0877 ( 6512 PWs) bands (ev): -24.8473 -24.8473 -24.8469 -24.8469 -8.5476 -8.5476 -8.5459 -8.5459 -8.2970 -8.2970 -8.2953 -8.2953 -8.2693 -8.2693 -8.2652 -8.2652 -3.6850 -3.6850 -3.6636 -3.6636 -2.4253 -2.4253 -2.4172 -2.4172 -2.1165 -2.1165 -2.1146 -2.1146 -0.7178 -0.7178 -0.7031 -0.7031 -0.6635 -0.6635 -0.6577 -0.6577 -0.2963 -0.2963 -0.2832 -0.2832 0.4981 0.4981 0.6475 0.6475 4.2009 4.2009 4.2590 4.2590 4.8632 4.8632 5.1891 5.1891 6.7856 6.7856 7.0726 7.0726 7.3048 7.3048 8.1101 8.1101 10.3492 10.3492 k = 0.5000 0.2887 0.0731 ( 6508 PWs) bands (ev): -24.8473 -24.8473 -24.8469 -24.8469 -8.5477 -8.5477 -8.5459 -8.5459 -8.2971 -8.2971 -8.2953 -8.2953 -8.2693 -8.2693 -8.2650 -8.2650 -3.6856 -3.6856 -3.6630 -3.6630 -2.4255 -2.4255 -2.4170 -2.4170 -2.1166 -2.1166 -2.1146 -2.1146 -0.7182 -0.7182 -0.7026 -0.7026 -0.6636 -0.6636 -0.6575 -0.6575 -0.2969 -0.2969 -0.2829 -0.2829 0.4941 0.4941 0.6525 0.6525 4.1991 4.1991 4.2608 4.2608 4.8500 4.8500 5.1920 5.1920 6.7737 6.7737 7.0700 7.0700 7.3208 7.3208 8.1963 8.1963 10.2327 10.2327 k = 0.5000 0.2887 0.0585 ( 6510 PWs) bands (ev): -24.8473 -24.8473 -24.8469 -24.8469 -8.5478 -8.5478 -8.5458 -8.5458 -8.2972 -8.2972 -8.2953 -8.2953 -8.2693 -8.2693 -8.2648 -8.2648 -3.6862 -3.6862 -3.6624 -3.6624 -2.4257 -2.4257 -2.4168 -2.4168 -2.1166 -2.1166 -2.1145 -2.1145 -0.7186 -0.7186 -0.7022 -0.7022 -0.6637 -0.6637 -0.6573 -0.6573 -0.2974 -0.2974 -0.2827 -0.2827 0.4907 0.4907 0.6568 0.6568 4.1976 4.1976 4.2622 4.2622 4.8391 4.8391 5.1938 5.1938 6.7641 6.7641 7.0692 7.0692 7.3341 7.3341 8.2764 8.2764 10.1272 10.1272 k = 0.5000 0.2887 0.0439 ( 6510 PWs) bands (ev): -24.8473 -24.8473 -24.8469 -24.8469 -8.5478 -8.5478 -8.5458 -8.5458 -8.2973 -8.2973 -8.2954 -8.2954 -8.2693 -8.2693 -8.2647 -8.2647 -3.6866 -3.6866 -3.6620 -3.6620 -2.4259 -2.4259 -2.4166 -2.4166 -2.1167 -2.1167 -2.1145 -2.1145 -0.7189 -0.7189 -0.7019 -0.7019 -0.6638 -0.6638 -0.6571 -0.6571 -0.2978 -0.2978 -0.2826 -0.2826 0.4881 0.4881 0.6602 0.6602 4.1964 4.1964 4.2633 4.2633 4.8305 4.8305 5.1949 5.1949 6.7568 6.7568 7.0693 7.0693 7.3445 7.3445 8.3466 8.3466 10.0371 10.0371 k = 0.5000 0.2887 0.0292 ( 6508 PWs) bands (ev): -24.8474 -24.8474 -24.8469 -24.8469 -8.5478 -8.5478 -8.5458 -8.5458 -8.2973 -8.2973 -8.2954 -8.2954 -8.2693 -8.2693 -8.2646 -8.2646 -3.6869 -3.6869 -3.6617 -3.6617 -2.4260 -2.4260 -2.4165 -2.4165 -2.1167 -2.1167 -2.1145 -2.1145 -0.7190 -0.7190 -0.7017 -0.7017 -0.6639 -0.6639 -0.6570 -0.6570 -0.2980 -0.2980 -0.2824 -0.2824 0.4863 0.4863 0.6626 0.6626 4.1955 4.1955 4.2641 4.2641 4.8242 4.8242 5.1956 5.1956 6.7516 6.7516 7.0699 7.0699 7.3520 7.3520 8.4022 8.4022 9.9672 9.9672 k = 0.5000 0.2887 0.0146 ( 6500 PWs) bands (ev): -24.8474 -24.8474 -24.8469 -24.8469 -8.5478 -8.5478 -8.5458 -8.5458 -8.2974 -8.2974 -8.2954 -8.2954 -8.2693 -8.2693 -8.2645 -8.2645 -3.6871 -3.6871 -3.6615 -3.6615 -2.4260 -2.4260 -2.4164 -2.4164 -2.1167 -2.1167 -2.1144 -2.1144 -0.7192 -0.7192 -0.7016 -0.7016 -0.6639 -0.6639 -0.6570 -0.6570 -0.2982 -0.2982 -0.2824 -0.2824 0.4852 0.4852 0.6641 0.6641 4.1950 4.1950 4.2646 4.2646 4.8204 4.8204 5.1959 5.1959 6.7484 6.7484 7.0705 7.0705 7.3565 7.3565 8.4383 8.4383 9.9225 9.9225 k = 0.5000 0.2887-0.0000 ( 6506 PWs) bands (ev): -24.8474 -24.8474 -24.8469 -24.8469 -8.5479 -8.5479 -8.5458 -8.5458 -8.2974 -8.2974 -8.2954 -8.2954 -8.2693 -8.2693 -8.2645 -8.2645 -3.6872 -3.6872 -3.6615 -3.6615 -2.4261 -2.4261 -2.4164 -2.4164 -2.1167 -2.1167 -2.1144 -2.1144 -0.7192 -0.7192 -0.7015 -0.7015 -0.6639 -0.6639 -0.6569 -0.6569 -0.2983 -0.2983 -0.2823 -0.2823 0.4848 0.4848 0.6646 0.6646 4.1948 4.1948 4.2648 4.2648 4.8192 4.8192 5.1960 5.1960 6.7474 6.7474 7.0707 7.0707 7.3580 7.3580 8.4509 8.4509 9.9070 9.9070 k = 0.3333 0.5774-0.0000 ( 6498 PWs) bands (ev): -24.8470 -24.8470 -24.8466 -24.8466 -8.5483 -8.5483 -8.5466 -8.5466 -8.2903 -8.2903 -8.2893 -8.2893 -8.2815 -8.2815 -8.2764 -8.2764 -3.7255 -3.7255 -3.3974 -3.3974 -2.5157 -2.5157 -2.4282 -2.4282 -2.4025 -2.4025 -1.5527 -1.5527 -0.7814 -0.7814 -0.7702 -0.7702 -0.7039 -0.7039 -0.6633 -0.6633 -0.3425 -0.3425 0.0674 0.0674 0.4780 0.4780 0.5551 0.5551 2.7882 2.7882 3.1515 3.1515 5.1767 5.1767 5.2403 5.2403 7.4691 7.4691 7.5287 7.5287 9.2191 9.2191 9.4917 9.4917 9.7152 9.7152 k = 0.3333 0.5774 0.0146 ( 6501 PWs) bands (ev): -24.8471 -24.8471 -24.8466 -24.8466 -8.5483 -8.5483 -8.5466 -8.5466 -8.2903 -8.2903 -8.2893 -8.2893 -8.2815 -8.2815 -8.2764 -8.2764 -3.7255 -3.7255 -3.3974 -3.3974 -2.5157 -2.5157 -2.4282 -2.4282 -2.4025 -2.4025 -1.5527 -1.5527 -0.7814 -0.7814 -0.7702 -0.7702 -0.7039 -0.7039 -0.6633 -0.6633 -0.3425 -0.3425 0.0674 0.0674 0.4779 0.4779 0.5551 0.5551 2.7890 2.7890 3.1506 3.1506 5.1775 5.1775 5.2411 5.2411 7.4657 7.4657 7.5252 7.5252 9.2214 9.2214 9.4946 9.4946 9.7185 9.7185 k = 0.3333 0.5774 0.0292 ( 6507 PWs) bands (ev): -24.8470 -24.8470 -24.8466 -24.8466 -8.5483 -8.5483 -8.5467 -8.5467 -8.2902 -8.2902 -8.2892 -8.2892 -8.2816 -8.2816 -8.2765 -8.2765 -3.7255 -3.7255 -3.3974 -3.3974 -2.5157 -2.5157 -2.4282 -2.4282 -2.4025 -2.4025 -1.5527 -1.5527 -0.7814 -0.7814 -0.7702 -0.7702 -0.7039 -0.7039 -0.6633 -0.6633 -0.3425 -0.3425 0.0674 0.0674 0.4779 0.4779 0.5550 0.5550 2.7913 2.7913 3.1479 3.1479 5.1798 5.1798 5.2435 5.2435 7.4559 7.4559 7.5150 7.5150 9.2279 9.2279 9.5033 9.5033 9.7282 9.7282 k = 0.3333 0.5774 0.0439 ( 6501 PWs) bands (ev): -24.8470 -24.8470 -24.8466 -24.8466 -8.5482 -8.5482 -8.5467 -8.5467 -8.2901 -8.2901 -8.2891 -8.2891 -8.2817 -8.2817 -8.2767 -8.2767 -3.7255 -3.7255 -3.3974 -3.3974 -2.5157 -2.5157 -2.4282 -2.4282 -2.4025 -2.4025 -1.5527 -1.5527 -0.7814 -0.7814 -0.7702 -0.7702 -0.7039 -0.7039 -0.6633 -0.6633 -0.3426 -0.3426 0.0674 0.0674 0.4778 0.4778 0.5549 0.5549 2.7951 2.7951 3.1434 3.1434 5.1836 5.1836 5.2474 5.2474 7.4401 7.4401 7.4985 7.4985 9.2381 9.2381 9.5171 9.5171 9.7444 9.7444 k = 0.3333 0.5774 0.0585 ( 6516 PWs) bands (ev): -24.8470 -24.8470 -24.8467 -24.8467 -8.5482 -8.5482 -8.5467 -8.5467 -8.2900 -8.2900 -8.2889 -8.2889 -8.2819 -8.2819 -8.2769 -8.2769 -3.7255 -3.7255 -3.3974 -3.3974 -2.5157 -2.5157 -2.4282 -2.4282 -2.4025 -2.4025 -1.5528 -1.5528 -0.7814 -0.7814 -0.7702 -0.7702 -0.7039 -0.7039 -0.6632 -0.6632 -0.3426 -0.3426 0.0674 0.0674 0.4776 0.4776 0.5547 0.5547 2.8005 2.8005 3.1373 3.1373 5.1888 5.1888 5.2527 5.2527 7.4192 7.4192 7.4766 7.4766 9.2515 9.2515 9.5350 9.5350 9.7669 9.7669 k = 0.3333 0.5774 0.0731 ( 6525 PWs) bands (ev): -24.8470 -24.8470 -24.8467 -24.8467 -8.5482 -8.5482 -8.5467 -8.5467 -8.2898 -8.2898 -8.2887 -8.2887 -8.2820 -8.2820 -8.2772 -8.2772 -3.7255 -3.7255 -3.3974 -3.3974 -2.5157 -2.5157 -2.4282 -2.4282 -2.4025 -2.4025 -1.5528 -1.5528 -0.7814 -0.7814 -0.7702 -0.7702 -0.7040 -0.7040 -0.6632 -0.6632 -0.3427 -0.3427 0.0674 0.0674 0.4775 0.4775 0.5546 0.5546 2.8073 2.8073 3.1295 3.1295 5.1951 5.1951 5.2593 5.2593 7.3941 7.3941 7.4504 7.4504 9.2670 9.2670 9.5560 9.5560 9.7957 9.7957 k = 0.3333 0.5774 0.0877 ( 6519 PWs) bands (ev): -24.8470 -24.8470 -24.8467 -24.8467 -8.5481 -8.5481 -8.5467 -8.5467 -8.2896 -8.2896 -8.2883 -8.2883 -8.2822 -8.2822 -8.2775 -8.2775 -3.7255 -3.7255 -3.3974 -3.3974 -2.5157 -2.5157 -2.4282 -2.4282 -2.4025 -2.4025 -1.5528 -1.5528 -0.7814 -0.7814 -0.7702 -0.7702 -0.7040 -0.7040 -0.6631 -0.6631 -0.3427 -0.3427 0.0674 0.0674 0.4773 0.4773 0.5544 0.5544 2.8155 2.8155 3.1202 3.1202 5.2024 5.2024 5.2668 5.2668 7.3660 7.3660 7.4211 7.4211 9.2839 9.2839 9.5789 9.5789 9.8306 9.8306 k = 0.3333 0.5774 0.1023 ( 6513 PWs) bands (ev): -24.8470 -24.8470 -24.8467 -24.8467 -8.5480 -8.5480 -8.5468 -8.5468 -8.2893 -8.2893 -8.2880 -8.2880 -8.2825 -8.2825 -8.2779 -8.2779 -3.7255 -3.7255 -3.3973 -3.3973 -2.5157 -2.5157 -2.4282 -2.4282 -2.4025 -2.4025 -1.5528 -1.5528 -0.7814 -0.7814 -0.7702 -0.7702 -0.7040 -0.7040 -0.6631 -0.6631 -0.3428 -0.3428 0.0674 0.0674 0.4771 0.4771 0.5542 0.5542 2.8249 2.8249 3.1095 3.1095 5.2105 5.2105 5.2752 5.2752 7.3362 7.3362 7.3899 7.3899 9.3011 9.3011 9.6023 9.6023 9.8715 9.8715 k = 0.3333 0.5774 0.1170 ( 6513 PWs) bands (ev): -24.8470 -24.8470 -24.8467 -24.8467 -8.5480 -8.5480 -8.5468 -8.5468 -8.2890 -8.2890 -8.2876 -8.2876 -8.2828 -8.2828 -8.2784 -8.2784 -3.7255 -3.7255 -3.3973 -3.3973 -2.5157 -2.5157 -2.4282 -2.4282 -2.4025 -2.4025 -1.5528 -1.5528 -0.7814 -0.7814 -0.7702 -0.7702 -0.7041 -0.7041 -0.6630 -0.6630 -0.3429 -0.3429 0.0674 0.0674 0.4769 0.4769 0.5540 0.5540 2.8356 2.8356 3.0976 3.0976 5.2190 5.2190 5.2840 5.2840 7.3057 7.3057 7.3581 7.3581 9.3179 9.3179 9.6253 9.6253 9.9184 9.9184 k = 0.3333 0.5774 0.1316 ( 6504 PWs) bands (ev): -24.8470 -24.8470 -24.8467 -24.8467 -8.5479 -8.5479 -8.5468 -8.5468 -8.2887 -8.2887 -8.2871 -8.2871 -8.2831 -8.2831 -8.2789 -8.2789 -3.7255 -3.7255 -3.3973 -3.3973 -2.5157 -2.5157 -2.4283 -2.4283 -2.4025 -2.4025 -1.5529 -1.5529 -0.7814 -0.7814 -0.7702 -0.7702 -0.7041 -0.7041 -0.6629 -0.6629 -0.3430 -0.3430 0.0675 0.0675 0.4766 0.4766 0.5537 0.5537 2.8473 2.8473 3.0846 3.0846 5.2277 5.2277 5.2929 5.2929 7.2758 7.2758 7.3269 7.3269 9.3338 9.3338 9.6470 9.6470 9.9710 9.9710 k = 0.3333 0.5774 0.1462 ( 6531 PWs) bands (ev): -24.8470 -24.8470 -24.8468 -24.8468 -8.5478 -8.5478 -8.5469 -8.5469 -8.2883 -8.2883 -8.2867 -8.2867 -8.2835 -8.2835 -8.2794 -8.2794 -3.7255 -3.7255 -3.3973 -3.3973 -2.5157 -2.5157 -2.4283 -2.4283 -2.4025 -2.4025 -1.5529 -1.5529 -0.7814 -0.7814 -0.7702 -0.7702 -0.7042 -0.7042 -0.6629 -0.6629 -0.3430 -0.3430 0.0675 0.0675 0.4764 0.4764 0.5535 0.5535 2.8598 2.8598 3.0708 3.0708 5.2362 5.2362 5.3017 5.3017 7.2475 7.2475 7.2974 7.2974 9.3482 9.3482 9.6665 9.6665 10.0292 10.0292 k = 0.3333 0.5774 0.1608 ( 6528 PWs) bands (ev): -24.8470 -24.8470 -24.8468 -24.8468 -8.5477 -8.5477 -8.5469 -8.5469 -8.2880 -8.2880 -8.2861 -8.2861 -8.2838 -8.2838 -8.2800 -8.2800 -3.7255 -3.7255 -3.3973 -3.3973 -2.5157 -2.5157 -2.4283 -2.4283 -2.4025 -2.4025 -1.5529 -1.5529 -0.7814 -0.7814 -0.7702 -0.7702 -0.7042 -0.7042 -0.6628 -0.6628 -0.3431 -0.3431 0.0675 0.0675 0.4763 0.4763 0.5533 0.5533 2.8731 2.8731 3.0564 3.0564 5.2441 5.2441 5.3099 5.3099 7.2218 7.2218 7.2705 7.2705 9.3608 9.3608 9.6836 9.6836 10.0930 10.0930 k = 0.3333 0.5774 0.1755 ( 6525 PWs) bands (ev): -24.8469 -24.8469 -24.8468 -24.8468 -8.5477 -8.5477 -8.5470 -8.5470 -8.2876 -8.2876 -8.2856 -8.2856 -8.2842 -8.2842 -8.2806 -8.2806 -3.7255 -3.7255 -3.3973 -3.3973 -2.5157 -2.5157 -2.4283 -2.4283 -2.4025 -2.4025 -1.5529 -1.5529 -0.7814 -0.7814 -0.7702 -0.7702 -0.7042 -0.7042 -0.6628 -0.6628 -0.3432 -0.3432 0.0675 0.0675 0.4761 0.4761 0.5532 0.5532 2.8867 2.8867 3.0418 3.0418 5.2512 5.2512 5.3172 5.3172 7.1995 7.1995 7.2472 7.2472 9.3713 9.3713 9.6977 9.6977 10.1620 10.1620 k = 0.3333 0.5774 0.1901 ( 6525 PWs) bands (ev): -24.8469 -24.8469 -24.8468 -24.8468 -8.5476 -8.5476 -8.5471 -8.5471 -8.2872 -8.2872 -8.2849 -8.2849 -8.2846 -8.2846 -8.2812 -8.2812 -3.7255 -3.7255 -3.3973 -3.3973 -2.5157 -2.5157 -2.4283 -2.4283 -2.4025 -2.4025 -1.5530 -1.5530 -0.7814 -0.7814 -0.7702 -0.7702 -0.7042 -0.7042 -0.6627 -0.6627 -0.3432 -0.3432 0.0675 0.0675 0.4759 0.4759 0.5530 0.5530 2.9002 2.9002 3.0275 3.0275 5.2570 5.2570 5.3233 5.3233 7.1813 7.1813 7.2283 7.2283 9.3795 9.3795 9.7088 9.7088 10.2359 10.2359 k = 0.3333 0.5774 0.2047 ( 6531 PWs) bands (ev): -24.8469 -24.8469 -24.8468 -24.8468 -8.5475 -8.5475 -8.5472 -8.5472 -8.2868 -8.2868 -8.2850 -8.2850 -8.2843 -8.2843 -8.2818 -8.2818 -3.7255 -3.7255 -3.3973 -3.3973 -2.5157 -2.5157 -2.4283 -2.4283 -2.4025 -2.4025 -1.5530 -1.5530 -0.7814 -0.7814 -0.7702 -0.7702 -0.7043 -0.7043 -0.6627 -0.6627 -0.3432 -0.3432 0.0675 0.0675 0.4758 0.4758 0.5529 0.5529 2.9126 2.9126 3.0145 3.0145 5.2614 5.2614 5.3279 5.3279 7.1679 7.1679 7.2143 7.2143 9.3855 9.3855 9.7168 9.7168 10.3144 10.3144 k = 0.3333 0.5774 0.2193 ( 6525 PWs) bands (ev): -24.8469 -24.8469 -24.8468 -24.8468 -8.5474 -8.5474 -8.5472 -8.5472 -8.2864 -8.2864 -8.2855 -8.2855 -8.2837 -8.2837 -8.2824 -8.2824 -3.7255 -3.7255 -3.3973 -3.3973 -2.5157 -2.5157 -2.4283 -2.4283 -2.4025 -2.4025 -1.5530 -1.5530 -0.7814 -0.7814 -0.7702 -0.7702 -0.7043 -0.7043 -0.6627 -0.6627 -0.3433 -0.3433 0.0675 0.0675 0.4758 0.4758 0.5529 0.5529 2.9221 2.9221 3.0046 3.0046 5.2641 5.2641 5.3307 5.3307 7.1597 7.1597 7.2058 7.2058 9.3891 9.3891 9.7216 9.7216 10.3961 10.3961 k = 0.3333 0.5774 0.2339 ( 6534 PWs) bands (ev): -24.8469 -24.8469 -24.8468 -24.8468 -8.5474 -8.5474 -8.5473 -8.5473 -8.2860 -8.2860 -8.2858 -8.2858 -8.2831 -8.2831 -8.2831 -8.2831 -3.7255 -3.7255 -3.3973 -3.3973 -2.5157 -2.5157 -2.4283 -2.4283 -2.4025 -2.4025 -1.5530 -1.5530 -0.7814 -0.7814 -0.7702 -0.7702 -0.7043 -0.7043 -0.6627 -0.6627 -0.3433 -0.3433 0.0675 0.0675 0.4758 0.4758 0.5529 0.5529 2.9258 2.9258 3.0008 3.0008 5.2651 5.2651 5.3317 5.3317 7.1570 7.1570 7.2029 7.2029 9.3903 9.3903 9.7232 9.7232 10.4601 10.4601 Writing output data file KHgSb.save init_run : 0.54s CPU 0.66s WALL ( 1 calls) electrons : 590.84s CPU 595.47s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.07s CPU 0.12s WALL ( 1 calls) Called by electrons: c_bands : 590.82s CPU 595.46s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.14s CPU 0.17s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.05s WALL ( 265 calls) cegterg : 559.65s CPU 563.69s WALL ( 635 calls) Called by sum_band: Called by *egterg: h_psi : 280.25s CPU 283.94s WALL ( 10729 calls) s_psi : 10.92s CPU 10.83s WALL ( 10729 calls) g_psi : 0.28s CPU 0.28s WALL ( 9829 calls) cdiaghg : 252.36s CPU 252.64s WALL ( 10094 calls) cegterg:over : 18.97s CPU 19.18s WALL ( 9829 calls) cegterg:upda : 10.67s CPU 10.90s WALL ( 9829 calls) cegterg:last : 6.14s CPU 6.26s WALL ( 1475 calls) cdiaghg:chol : 8.74s CPU 8.55s WALL ( 10094 calls) cdiaghg:inve : 5.80s CPU 5.86s WALL ( 10094 calls) cdiaghg:para : 21.18s CPU 21.17s WALL ( 20188 calls) Called by h_psi: h_psi:vloc : 254.58s CPU 258.02s WALL ( 10729 calls) h_psi:vnl : 25.40s CPU 25.65s WALL ( 10729 calls) add_vuspsi : 12.77s CPU 13.01s WALL ( 10729 calls) General routines calbec : 12.60s CPU 12.61s WALL ( 10729 calls) fft : 0.02s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 247.20s CPU 250.56s WALL ( 1124460 calls) interpolate : 0.01s CPU 0.00s WALL ( 4 calls) davcio : 0.13s CPU 0.19s WALL ( 530 calls) Parallel routines fft_scatter : 191.01s CPU 193.63s WALL ( 1124483 calls) PWSCF : 10m40.86s CPU 10m56.97s WALL This run was terminated on: 0:36:19 1Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=