Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 19:44: 7 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./CdxAsO3x2.save/ file Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4D 4D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 101 29 8 5019 791 124 Max 102 30 9 5024 806 131 Sum 3667 1069 313 180775 28793 4605 bravais-lattice index = 14 lattice parameter (alat) = 9.1215 a.u. unit-cell volume = 662.5762 (a.u.)^3 number of atoms/cell = 9 number of atomic types = 3 number of electrons = 58.00 number of Kohn-Sham states= 70 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 639.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.121518 celldm(2)= 1.000000 celldm(3)= 1.008100 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 1.008100 ) 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 0.991965 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for As read from file: /users/gautes/Pseudo/As.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 91883ac77fc8b4c49e33555c42516b17 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 1209 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Cd read from file: /users/gautes/Pseudo/Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1d41bce1441572f114805845d9d822b0 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 1239 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) As 5.00 74.92160 As( 1.00) Cd 12.00 112.41100 Cd( 1.00) 12 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,1,0] 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 [1,-1,0] cryst. s( 5) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [2,1,0] cryst. s( 6) = ( 1 1 0 ) ( 0 -1 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 [0,1,0] 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 [1,-1,0] cryst. s(11) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(11) = ( -0.5000000 0.8660254 0.0000000 ) ( 0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [2,1,0] cryst. s(12) = ( -1 -1 0 ) ( 0 1 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 -6 -5 180 deg rotation - cart. axis [0,1,0] 3C2' 5 6 -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 -12 -11 inv. 180 deg rotation - cart. axis [0,1,0] 3s_v 11 12 -8 inv. 180 deg rotation - cryst. axis [1,-1,0] Cartesian axes number of k points= 316 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031646 k( 2) = ( 0.0131579 0.0075967 -0.0000000), wk = 0.0031646 k( 3) = ( 0.0263158 0.0151934 -0.0000000), wk = 0.0031646 k( 4) = ( 0.0394737 0.0227901 -0.0000000), wk = 0.0031646 k( 5) = ( 0.0526316 0.0303869 -0.0000000), wk = 0.0031646 k( 6) = ( 0.0657895 0.0379836 -0.0000000), wk = 0.0031646 k( 7) = ( 0.0789474 0.0455803 -0.0000000), wk = 0.0031646 k( 8) = ( 0.0921053 0.0531770 -0.0000000), wk = 0.0031646 k( 9) = ( 0.1052632 0.0607737 -0.0000000), wk = 0.0031646 k( 10) = ( 0.1184210 0.0683704 -0.0000000), wk = 0.0031646 k( 11) = ( 0.1315790 0.0759671 -0.0000000), wk = 0.0031646 k( 12) = ( 0.1447368 0.0835639 -0.0000000), wk = 0.0031646 k( 13) = ( 0.1578947 0.0911606 -0.0000000), wk = 0.0031646 k( 14) = ( 0.1710526 0.0987573 -0.0000000), wk = 0.0031646 k( 15) = ( 0.1842105 0.1063540 -0.0000000), wk = 0.0031646 k( 16) = ( 0.1973684 0.1139507 -0.0000000), wk = 0.0031646 k( 17) = ( 0.2105263 0.1215474 -0.0000000), wk = 0.0031646 k( 18) = ( 0.2236842 0.1291441 -0.0000000), wk = 0.0031646 k( 19) = ( 0.2368421 0.1367409 -0.0000000), wk = 0.0031646 k( 20) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0031646 k( 21) = ( 0.2631579 0.1519343 -0.0000000), wk = 0.0031646 k( 22) = ( 0.2763158 0.1595310 -0.0000000), wk = 0.0031646 k( 23) = ( 0.2894737 0.1671277 -0.0000000), wk = 0.0031646 k( 24) = ( 0.3026316 0.1747244 -0.0000000), wk = 0.0031646 k( 25) = ( 0.3157895 0.1823211 -0.0000000), wk = 0.0031646 k( 26) = ( 0.3289474 0.1899179 -0.0000000), wk = 0.0031646 k( 27) = ( 0.3421053 0.1975146 -0.0000000), wk = 0.0031646 k( 28) = ( 0.3552632 0.2051113 -0.0000000), wk = 0.0031646 k( 29) = ( 0.3684211 0.2127080 -0.0000000), wk = 0.0031646 k( 30) = ( 0.3815789 0.2203047 -0.0000000), wk = 0.0031646 k( 31) = ( 0.3947368 0.2279014 -0.0000000), wk = 0.0031646 k( 32) = ( 0.4078947 0.2354981 -0.0000000), wk = 0.0031646 k( 33) = ( 0.4210526 0.2430948 -0.0000000), wk = 0.0031646 k( 34) = ( 0.4342105 0.2506916 -0.0000000), wk = 0.0031646 k( 35) = ( 0.4473684 0.2582883 -0.0000000), wk = 0.0031646 k( 36) = ( 0.4605263 0.2658850 -0.0000000), wk = 0.0031646 k( 37) = ( 0.4736842 0.2734817 -0.0000000), wk = 0.0031646 k( 38) = ( 0.4868421 0.2810784 -0.0000000), wk = 0.0031646 k( 39) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0031646 k( 40) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0031646 k( 41) = ( 0.4924242 0.3017967 -0.0000000), wk = 0.0031646 k( 42) = ( 0.4848485 0.3149183 -0.0000000), wk = 0.0031646 k( 43) = ( 0.4772727 0.3280399 -0.0000000), wk = 0.0031646 k( 44) = ( 0.4696970 0.3411615 -0.0000000), wk = 0.0031646 k( 45) = ( 0.4621212 0.3542831 -0.0000000), wk = 0.0031646 k( 46) = ( 0.4545455 0.3674047 -0.0000000), wk = 0.0031646 k( 47) = ( 0.4469697 0.3805263 -0.0000000), wk = 0.0031646 k( 48) = ( 0.4393939 0.3936479 -0.0000000), wk = 0.0031646 k( 49) = ( 0.4318182 0.4067695 -0.0000000), wk = 0.0031646 k( 50) = ( 0.4242424 0.4198911 -0.0000000), wk = 0.0031646 k( 51) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0031646 k( 52) = ( 0.4090909 0.4461343 -0.0000000), wk = 0.0031646 k( 53) = ( 0.4015151 0.4592559 -0.0000000), wk = 0.0031646 k( 54) = ( 0.3939394 0.4723775 -0.0000000), wk = 0.0031646 k( 55) = ( 0.3863636 0.4854991 -0.0000000), wk = 0.0031646 k( 56) = ( 0.3787879 0.4986207 -0.0000000), wk = 0.0031646 k( 57) = ( 0.3712121 0.5117423 -0.0000000), wk = 0.0031646 k( 58) = ( 0.3636364 0.5248639 -0.0000000), wk = 0.0031646 k( 59) = ( 0.3560606 0.5379855 -0.0000000), wk = 0.0031646 k( 60) = ( 0.3484849 0.5511071 -0.0000000), wk = 0.0031646 k( 61) = ( 0.3409091 0.5642287 -0.0000000), wk = 0.0031646 k( 62) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0031646 k( 63) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0031646 k( 64) = ( 0.3257576 0.5642287 -0.0000000), wk = 0.0031646 k( 65) = ( 0.3181818 0.5511071 -0.0000000), wk = 0.0031646 k( 66) = ( 0.3106061 0.5379855 -0.0000000), wk = 0.0031646 k( 67) = ( 0.3030303 0.5248639 -0.0000000), wk = 0.0031646 k( 68) = ( 0.2954545 0.5117423 -0.0000000), wk = 0.0031646 k( 69) = ( 0.2878788 0.4986207 -0.0000000), wk = 0.0031646 k( 70) = ( 0.2803030 0.4854991 -0.0000000), wk = 0.0031646 k( 71) = ( 0.2727273 0.4723775 -0.0000000), wk = 0.0031646 k( 72) = ( 0.2651515 0.4592559 -0.0000000), wk = 0.0031646 k( 73) = ( 0.2575758 0.4461343 -0.0000000), wk = 0.0031646 k( 74) = ( 0.2500000 0.4330127 -0.0000000), wk = 0.0031646 k( 75) = ( 0.2424242 0.4198911 -0.0000000), wk = 0.0031646 k( 76) = ( 0.2348485 0.4067695 -0.0000000), wk = 0.0031646 k( 77) = ( 0.2272727 0.3936479 -0.0000000), wk = 0.0031646 k( 78) = ( 0.2196970 0.3805263 -0.0000000), wk = 0.0031646 k( 79) = ( 0.2121212 0.3674047 -0.0000000), wk = 0.0031646 k( 80) = ( 0.2045454 0.3542831 -0.0000000), wk = 0.0031646 k( 81) = ( 0.1969697 0.3411615 -0.0000000), wk = 0.0031646 k( 82) = ( 0.1893939 0.3280399 -0.0000000), wk = 0.0031646 k( 83) = ( 0.1818182 0.3149183 -0.0000000), wk = 0.0031646 k( 84) = ( 0.1742424 0.3017967 -0.0000000), wk = 0.0031646 k( 85) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0031646 k( 86) = ( 0.1590909 0.2755535 -0.0000000), wk = 0.0031646 k( 87) = ( 0.1515151 0.2624319 -0.0000000), wk = 0.0031646 k( 88) = ( 0.1439394 0.2493103 -0.0000000), wk = 0.0031646 k( 89) = ( 0.1363636 0.2361888 -0.0000000), wk = 0.0031646 k( 90) = ( 0.1287879 0.2230672 -0.0000000), wk = 0.0031646 k( 91) = ( 0.1212121 0.2099456 -0.0000000), wk = 0.0031646 k( 92) = ( 0.1136364 0.1968239 -0.0000000), wk = 0.0031646 k( 93) = ( 0.1060606 0.1837024 -0.0000000), wk = 0.0031646 k( 94) = ( 0.0984848 0.1705808 -0.0000000), wk = 0.0031646 k( 95) = ( 0.0909091 0.1574592 -0.0000000), wk = 0.0031646 k( 96) = ( 0.0833333 0.1443376 -0.0000000), wk = 0.0031646 k( 97) = ( 0.0757576 0.1312160 -0.0000000), wk = 0.0031646 k( 98) = ( 0.0681818 0.1180944 -0.0000000), wk = 0.0031646 k( 99) = ( 0.0606061 0.1049728 -0.0000000), wk = 0.0031646 k( 100) = ( 0.0530303 0.0918512 -0.0000000), wk = 0.0031646 k( 101) = ( 0.0454546 0.0787296 -0.0000000), wk = 0.0031646 k( 102) = ( 0.0378788 0.0656080 -0.0000000), wk = 0.0031646 k( 103) = ( 0.0303030 0.0524864 -0.0000000), wk = 0.0031646 k( 104) = ( 0.0227273 0.0393648 -0.0000000), wk = 0.0031646 k( 105) = ( 0.0151515 0.0262432 -0.0000000), wk = 0.0031646 k( 106) = ( 0.0075758 0.0131216 -0.0000000), wk = 0.0031646 k( 107) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031646 k( 108) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031646 k( 109) = ( 0.0000000 0.0000000 0.0150298), wk = 0.0031646 k( 110) = ( 0.0000000 0.0000000 0.0300595), wk = 0.0031646 k( 111) = ( 0.0000000 0.0000000 0.0450893), wk = 0.0031646 k( 112) = ( 0.0000000 0.0000000 0.0601191), wk = 0.0031646 k( 113) = ( 0.0000000 0.0000000 0.0751488), wk = 0.0031646 k( 114) = ( 0.0000000 0.0000000 0.0901786), wk = 0.0031646 k( 115) = ( 0.0000000 0.0000000 0.1052084), wk = 0.0031646 k( 116) = ( 0.0000000 0.0000000 0.1202381), wk = 0.0031646 k( 117) = ( 0.0000000 0.0000000 0.1352679), wk = 0.0031646 k( 118) = ( 0.0000000 0.0000000 0.1502977), wk = 0.0031646 k( 119) = ( 0.0000000 0.0000000 0.1653274), wk = 0.0031646 k( 120) = ( 0.0000000 0.0000000 0.1803572), wk = 0.0031646 k( 121) = ( 0.0000000 0.0000000 0.1953870), wk = 0.0031646 k( 122) = ( 0.0000000 0.0000000 0.2104167), wk = 0.0031646 k( 123) = ( 0.0000000 0.0000000 0.2254465), wk = 0.0031646 k( 124) = ( 0.0000000 0.0000000 0.2404763), wk = 0.0031646 k( 125) = ( 0.0000000 0.0000000 0.2555060), wk = 0.0031646 k( 126) = ( 0.0000000 0.0000000 0.2705358), wk = 0.0031646 k( 127) = ( 0.0000000 0.0000000 0.2855656), wk = 0.0031646 k( 128) = ( 0.0000000 0.0000000 0.3005953), wk = 0.0031646 k( 129) = ( 0.0000000 0.0000000 0.3156251), wk = 0.0031646 k( 130) = ( 0.0000000 0.0000000 0.3306549), wk = 0.0031646 k( 131) = ( 0.0000000 0.0000000 0.3456847), wk = 0.0031646 k( 132) = ( 0.0000000 0.0000000 0.3607144), wk = 0.0031646 k( 133) = ( 0.0000000 0.0000000 0.3757442), wk = 0.0031646 k( 134) = ( 0.0000000 0.0000000 0.3907740), wk = 0.0031646 k( 135) = ( 0.0000000 0.0000000 0.4058037), wk = 0.0031646 k( 136) = ( 0.0000000 0.0000000 0.4208335), wk = 0.0031646 k( 137) = ( 0.0000000 0.0000000 0.4358633), wk = 0.0031646 k( 138) = ( 0.0000000 0.0000000 0.4508930), wk = 0.0031646 k( 139) = ( 0.0000000 0.0000000 0.4659228), wk = 0.0031646 k( 140) = ( 0.0000000 0.0000000 0.4809526), wk = 0.0031646 k( 141) = ( 0.0000000 0.0000000 0.4959823), wk = 0.0031646 k( 142) = ( 0.0000000 0.0000000 0.4959823), wk = 0.0031646 k( 143) = ( 0.0131579 0.0075967 0.4959823), wk = 0.0031646 k( 144) = ( 0.0263158 0.0151934 0.4959823), wk = 0.0031646 k( 145) = ( 0.0394737 0.0227901 0.4959823), wk = 0.0031646 k( 146) = ( 0.0526316 0.0303869 0.4959823), wk = 0.0031646 k( 147) = ( 0.0657895 0.0379836 0.4959823), wk = 0.0031646 k( 148) = ( 0.0789474 0.0455803 0.4959823), wk = 0.0031646 k( 149) = ( 0.0921053 0.0531770 0.4959823), wk = 0.0031646 k( 150) = ( 0.1052632 0.0607737 0.4959823), wk = 0.0031646 k( 151) = ( 0.1184210 0.0683704 0.4959823), wk = 0.0031646 k( 152) = ( 0.1315790 0.0759671 0.4959823), wk = 0.0031646 k( 153) = ( 0.1447368 0.0835639 0.4959823), wk = 0.0031646 k( 154) = ( 0.1578947 0.0911606 0.4959823), wk = 0.0031646 k( 155) = ( 0.1710526 0.0987573 0.4959823), wk = 0.0031646 k( 156) = ( 0.1842105 0.1063540 0.4959823), wk = 0.0031646 k( 157) = ( 0.1973684 0.1139507 0.4959823), wk = 0.0031646 k( 158) = ( 0.2105263 0.1215474 0.4959823), wk = 0.0031646 k( 159) = ( 0.2236842 0.1291441 0.4959823), wk = 0.0031646 k( 160) = ( 0.2368421 0.1367409 0.4959823), wk = 0.0031646 k( 161) = ( 0.2500000 0.1443376 0.4959823), wk = 0.0031646 k( 162) = ( 0.2631579 0.1519343 0.4959823), wk = 0.0031646 k( 163) = ( 0.2763158 0.1595310 0.4959823), wk = 0.0031646 k( 164) = ( 0.2894737 0.1671277 0.4959823), wk = 0.0031646 k( 165) = ( 0.3026316 0.1747244 0.4959823), wk = 0.0031646 k( 166) = ( 0.3157895 0.1823211 0.4959823), wk = 0.0031646 k( 167) = ( 0.3289474 0.1899179 0.4959823), wk = 0.0031646 k( 168) = ( 0.3421053 0.1975146 0.4959823), wk = 0.0031646 k( 169) = ( 0.3552632 0.2051113 0.4959823), wk = 0.0031646 k( 170) = ( 0.3684211 0.2127080 0.4959823), wk = 0.0031646 k( 171) = ( 0.3815789 0.2203047 0.4959823), wk = 0.0031646 k( 172) = ( 0.3947368 0.2279014 0.4959823), wk = 0.0031646 k( 173) = ( 0.4078947 0.2354981 0.4959823), wk = 0.0031646 k( 174) = ( 0.4210526 0.2430948 0.4959823), wk = 0.0031646 k( 175) = ( 0.4342105 0.2506916 0.4959823), wk = 0.0031646 k( 176) = ( 0.4473684 0.2582883 0.4959823), wk = 0.0031646 k( 177) = ( 0.4605263 0.2658850 0.4959823), wk = 0.0031646 k( 178) = ( 0.4736842 0.2734817 0.4959823), wk = 0.0031646 k( 179) = ( 0.4868421 0.2810784 0.4959823), wk = 0.0031646 k( 180) = ( 0.5000000 0.2886751 0.4959823), wk = 0.0031646 k( 181) = ( 0.5000000 0.2886751 0.4959823), wk = 0.0031646 k( 182) = ( 0.4924242 0.3017967 0.4959823), wk = 0.0031646 k( 183) = ( 0.4848485 0.3149183 0.4959823), wk = 0.0031646 k( 184) = ( 0.4772727 0.3280399 0.4959823), wk = 0.0031646 k( 185) = ( 0.4696970 0.3411615 0.4959823), wk = 0.0031646 k( 186) = ( 0.4621212 0.3542831 0.4959823), wk = 0.0031646 k( 187) = ( 0.4545455 0.3674047 0.4959823), wk = 0.0031646 k( 188) = ( 0.4469697 0.3805263 0.4959823), wk = 0.0031646 k( 189) = ( 0.4393939 0.3936479 0.4959823), wk = 0.0031646 k( 190) = ( 0.4318182 0.4067695 0.4959823), wk = 0.0031646 k( 191) = ( 0.4242424 0.4198911 0.4959823), wk = 0.0031646 k( 192) = ( 0.4166667 0.4330127 0.4959823), wk = 0.0031646 k( 193) = ( 0.4090909 0.4461343 0.4959823), wk = 0.0031646 k( 194) = ( 0.4015151 0.4592559 0.4959823), wk = 0.0031646 k( 195) = ( 0.3939394 0.4723775 0.4959823), wk = 0.0031646 k( 196) = ( 0.3863636 0.4854991 0.4959823), wk = 0.0031646 k( 197) = ( 0.3787879 0.4986207 0.4959823), wk = 0.0031646 k( 198) = ( 0.3712121 0.5117423 0.4959823), wk = 0.0031646 k( 199) = ( 0.3636364 0.5248639 0.4959823), wk = 0.0031646 k( 200) = ( 0.3560606 0.5379855 0.4959823), wk = 0.0031646 k( 201) = ( 0.3484849 0.5511071 0.4959823), wk = 0.0031646 k( 202) = ( 0.3409091 0.5642287 0.4959823), wk = 0.0031646 k( 203) = ( 0.3333333 0.5773503 0.4959823), wk = 0.0031646 k( 204) = ( 0.3333333 0.5773503 0.4959823), wk = 0.0031646 k( 205) = ( 0.3257576 0.5642287 0.4959823), wk = 0.0031646 k( 206) = ( 0.3181818 0.5511071 0.4959823), wk = 0.0031646 k( 207) = ( 0.3106061 0.5379855 0.4959823), wk = 0.0031646 k( 208) = ( 0.3030303 0.5248639 0.4959823), wk = 0.0031646 k( 209) = ( 0.2954545 0.5117423 0.4959823), wk = 0.0031646 k( 210) = ( 0.2878788 0.4986207 0.4959823), wk = 0.0031646 k( 211) = ( 0.2803030 0.4854991 0.4959823), wk = 0.0031646 k( 212) = ( 0.2727273 0.4723775 0.4959823), wk = 0.0031646 k( 213) = ( 0.2651515 0.4592559 0.4959823), wk = 0.0031646 k( 214) = ( 0.2575758 0.4461343 0.4959823), wk = 0.0031646 k( 215) = ( 0.2500000 0.4330127 0.4959823), wk = 0.0031646 k( 216) = ( 0.2424242 0.4198911 0.4959823), wk = 0.0031646 k( 217) = ( 0.2348485 0.4067695 0.4959823), wk = 0.0031646 k( 218) = ( 0.2272727 0.3936479 0.4959823), wk = 0.0031646 k( 219) = ( 0.2196970 0.3805263 0.4959823), wk = 0.0031646 k( 220) = ( 0.2121212 0.3674047 0.4959823), wk = 0.0031646 k( 221) = ( 0.2045454 0.3542831 0.4959823), wk = 0.0031646 k( 222) = ( 0.1969697 0.3411615 0.4959823), wk = 0.0031646 k( 223) = ( 0.1893939 0.3280399 0.4959823), wk = 0.0031646 k( 224) = ( 0.1818182 0.3149183 0.4959823), wk = 0.0031646 k( 225) = ( 0.1742424 0.3017967 0.4959823), wk = 0.0031646 k( 226) = ( 0.1666667 0.2886751 0.4959823), wk = 0.0031646 k( 227) = ( 0.1590909 0.2755535 0.4959823), wk = 0.0031646 k( 228) = ( 0.1515151 0.2624319 0.4959823), wk = 0.0031646 k( 229) = ( 0.1439394 0.2493103 0.4959823), wk = 0.0031646 k( 230) = ( 0.1363636 0.2361888 0.4959823), wk = 0.0031646 k( 231) = ( 0.1287879 0.2230672 0.4959823), wk = 0.0031646 k( 232) = ( 0.1212121 0.2099456 0.4959823), wk = 0.0031646 k( 233) = ( 0.1136364 0.1968239 0.4959823), wk = 0.0031646 k( 234) = ( 0.1060606 0.1837024 0.4959823), wk = 0.0031646 k( 235) = ( 0.0984848 0.1705808 0.4959823), wk = 0.0031646 k( 236) = ( 0.0909091 0.1574592 0.4959823), wk = 0.0031646 k( 237) = ( 0.0833333 0.1443376 0.4959823), wk = 0.0031646 k( 238) = ( 0.0757576 0.1312160 0.4959823), wk = 0.0031646 k( 239) = ( 0.0681818 0.1180944 0.4959823), wk = 0.0031646 k( 240) = ( 0.0606061 0.1049728 0.4959823), wk = 0.0031646 k( 241) = ( 0.0530303 0.0918512 0.4959823), wk = 0.0031646 k( 242) = ( 0.0454546 0.0787296 0.4959823), wk = 0.0031646 k( 243) = ( 0.0378788 0.0656080 0.4959823), wk = 0.0031646 k( 244) = ( 0.0303030 0.0524864 0.4959823), wk = 0.0031646 k( 245) = ( 0.0227273 0.0393648 0.4959823), wk = 0.0031646 k( 246) = ( 0.0151515 0.0262432 0.4959823), wk = 0.0031646 k( 247) = ( 0.0075758 0.0131216 0.4959823), wk = 0.0031646 k( 248) = ( 0.0000000 0.0000000 0.4959823), wk = 0.0031646 k( 249) = ( 0.5000000 0.2886751 0.4959823), wk = 0.0031646 k( 250) = ( 0.5000000 0.2886751 0.4809526), wk = 0.0031646 k( 251) = ( 0.5000000 0.2886751 0.4659228), wk = 0.0031646 k( 252) = ( 0.5000000 0.2886751 0.4508930), wk = 0.0031646 k( 253) = ( 0.5000000 0.2886751 0.4358633), wk = 0.0031646 k( 254) = ( 0.5000000 0.2886751 0.4208335), wk = 0.0031646 k( 255) = ( 0.5000000 0.2886751 0.4058037), wk = 0.0031646 k( 256) = ( 0.5000000 0.2886751 0.3907740), wk = 0.0031646 k( 257) = ( 0.5000000 0.2886751 0.3757442), wk = 0.0031646 k( 258) = ( 0.5000000 0.2886751 0.3607144), wk = 0.0031646 k( 259) = ( 0.5000000 0.2886751 0.3456847), wk = 0.0031646 k( 260) = ( 0.5000000 0.2886751 0.3306549), wk = 0.0031646 k( 261) = ( 0.5000000 0.2886751 0.3156251), wk = 0.0031646 k( 262) = ( 0.5000000 0.2886751 0.3005953), wk = 0.0031646 k( 263) = ( 0.5000000 0.2886751 0.2855656), wk = 0.0031646 k( 264) = ( 0.5000000 0.2886751 0.2705358), wk = 0.0031646 k( 265) = ( 0.5000000 0.2886751 0.2555060), wk = 0.0031646 k( 266) = ( 0.5000000 0.2886751 0.2404763), wk = 0.0031646 k( 267) = ( 0.5000000 0.2886751 0.2254465), wk = 0.0031646 k( 268) = ( 0.5000000 0.2886751 0.2104167), wk = 0.0031646 k( 269) = ( 0.5000000 0.2886751 0.1953870), wk = 0.0031646 k( 270) = ( 0.5000000 0.2886751 0.1803572), wk = 0.0031646 k( 271) = ( 0.5000000 0.2886751 0.1653274), wk = 0.0031646 k( 272) = ( 0.5000000 0.2886751 0.1502977), wk = 0.0031646 k( 273) = ( 0.5000000 0.2886751 0.1352679), wk = 0.0031646 k( 274) = ( 0.5000000 0.2886751 0.1202381), wk = 0.0031646 k( 275) = ( 0.5000000 0.2886751 0.1052084), wk = 0.0031646 k( 276) = ( 0.5000000 0.2886751 0.0901786), wk = 0.0031646 k( 277) = ( 0.5000000 0.2886751 0.0751488), wk = 0.0031646 k( 278) = ( 0.5000000 0.2886751 0.0601191), wk = 0.0031646 k( 279) = ( 0.5000000 0.2886751 0.0450893), wk = 0.0031646 k( 280) = ( 0.5000000 0.2886751 0.0300595), wk = 0.0031646 k( 281) = ( 0.5000000 0.2886751 0.0150298), wk = 0.0031646 k( 282) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0031646 k( 283) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0031646 k( 284) = ( 0.3333333 0.5773503 0.0150298), wk = 0.0031646 k( 285) = ( 0.3333333 0.5773503 0.0300595), wk = 0.0031646 k( 286) = ( 0.3333333 0.5773503 0.0450893), wk = 0.0031646 k( 287) = ( 0.3333333 0.5773503 0.0601191), wk = 0.0031646 k( 288) = ( 0.3333333 0.5773503 0.0751488), wk = 0.0031646 k( 289) = ( 0.3333333 0.5773503 0.0901786), wk = 0.0031646 k( 290) = ( 0.3333333 0.5773503 0.1052084), wk = 0.0031646 k( 291) = ( 0.3333333 0.5773503 0.1202381), wk = 0.0031646 k( 292) = ( 0.3333333 0.5773503 0.1352679), wk = 0.0031646 k( 293) = ( 0.3333333 0.5773503 0.1502977), wk = 0.0031646 k( 294) = ( 0.3333333 0.5773503 0.1653274), wk = 0.0031646 k( 295) = ( 0.3333333 0.5773503 0.1803572), wk = 0.0031646 k( 296) = ( 0.3333333 0.5773503 0.1953870), wk = 0.0031646 k( 297) = ( 0.3333333 0.5773503 0.2104167), wk = 0.0031646 k( 298) = ( 0.3333333 0.5773503 0.2254465), wk = 0.0031646 k( 299) = ( 0.3333333 0.5773503 0.2404763), wk = 0.0031646 k( 300) = ( 0.3333333 0.5773503 0.2555060), wk = 0.0031646 k( 301) = ( 0.3333333 0.5773503 0.2705358), wk = 0.0031646 k( 302) = ( 0.3333333 0.5773503 0.2855656), wk = 0.0031646 k( 303) = ( 0.3333333 0.5773503 0.3005953), wk = 0.0031646 k( 304) = ( 0.3333333 0.5773503 0.3156251), wk = 0.0031646 k( 305) = ( 0.3333333 0.5773503 0.3306549), wk = 0.0031646 k( 306) = ( 0.3333333 0.5773503 0.3456847), wk = 0.0031646 k( 307) = ( 0.3333333 0.5773503 0.3607144), wk = 0.0031646 k( 308) = ( 0.3333333 0.5773503 0.3757442), wk = 0.0031646 k( 309) = ( 0.3333333 0.5773503 0.3907740), wk = 0.0031646 k( 310) = ( 0.3333333 0.5773503 0.4058037), wk = 0.0031646 k( 311) = ( 0.3333333 0.5773503 0.4208335), wk = 0.0031646 k( 312) = ( 0.3333333 0.5773503 0.4358633), wk = 0.0031646 k( 313) = ( 0.3333333 0.5773503 0.4508930), wk = 0.0031646 k( 314) = ( 0.3333333 0.5773503 0.4659228), wk = 0.0031646 k( 315) = ( 0.3333333 0.5773503 0.4809526), wk = 0.0031646 k( 316) = ( 0.3333333 0.5773503 0.4959823), wk = 0.0031646 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031646 k( 2) = ( 0.0131579 -0.0000000 -0.0000000), wk = 0.0031646 k( 3) = ( 0.0263158 -0.0000000 -0.0000000), wk = 0.0031646 k( 4) = ( 0.0394737 -0.0000000 0.0000000), wk = 0.0031646 k( 5) = ( 0.0526316 -0.0000000 -0.0000000), wk = 0.0031646 k( 6) = ( 0.0657895 -0.0000000 -0.0000000), wk = 0.0031646 k( 7) = ( 0.0789474 -0.0000000 -0.0000000), wk = 0.0031646 k( 8) = ( 0.0921053 0.0000000 0.0000000), wk = 0.0031646 k( 9) = ( 0.1052632 -0.0000000 -0.0000000), wk = 0.0031646 k( 10) = ( 0.1184210 -0.0000000 -0.0000000), wk = 0.0031646 k( 11) = ( 0.1315790 -0.0000000 -0.0000000), wk = 0.0031646 k( 12) = ( 0.1447368 -0.0000000 -0.0000000), wk = 0.0031646 k( 13) = ( 0.1578947 -0.0000000 -0.0000000), wk = 0.0031646 k( 14) = ( 0.1710526 -0.0000000 -0.0000000), wk = 0.0031646 k( 15) = ( 0.1842105 0.0000000 -0.0000000), wk = 0.0031646 k( 16) = ( 0.1973684 -0.0000000 -0.0000000), wk = 0.0031646 k( 17) = ( 0.2105263 -0.0000000 -0.0000000), wk = 0.0031646 k( 18) = ( 0.2236842 -0.0000000 -0.0000000), wk = 0.0031646 k( 19) = ( 0.2368421 -0.0000000 -0.0000000), wk = 0.0031646 k( 20) = ( 0.2500000 -0.0000000 -0.0000000), wk = 0.0031646 k( 21) = ( 0.2631579 -0.0000000 -0.0000000), wk = 0.0031646 k( 22) = ( 0.2763158 -0.0000000 -0.0000000), wk = 0.0031646 k( 23) = ( 0.2894737 -0.0000000 -0.0000000), wk = 0.0031646 k( 24) = ( 0.3026316 -0.0000000 -0.0000000), wk = 0.0031646 k( 25) = ( 0.3157895 -0.0000000 -0.0000000), wk = 0.0031646 k( 26) = ( 0.3289474 -0.0000000 0.0000000), wk = 0.0031646 k( 27) = ( 0.3421053 -0.0000000 -0.0000000), wk = 0.0031646 k( 28) = ( 0.3552632 -0.0000000 -0.0000000), wk = 0.0031646 k( 29) = ( 0.3684211 -0.0000000 -0.0000000), wk = 0.0031646 k( 30) = ( 0.3815789 -0.0000000 -0.0000000), wk = 0.0031646 k( 31) = ( 0.3947368 -0.0000000 -0.0000000), wk = 0.0031646 k( 32) = ( 0.4078947 -0.0000000 -0.0000000), wk = 0.0031646 k( 33) = ( 0.4210526 -0.0000000 -0.0000000), wk = 0.0031646 k( 34) = ( 0.4342105 -0.0000000 -0.0000000), wk = 0.0031646 k( 35) = ( 0.4473684 -0.0000000 -0.0000000), wk = 0.0031646 k( 36) = ( 0.4605263 -0.0000000 -0.0000000), wk = 0.0031646 k( 37) = ( 0.4736842 -0.0000000 -0.0000000), wk = 0.0031646 k( 38) = ( 0.4868421 -0.0000000 -0.0000000), wk = 0.0031646 k( 39) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0031646 k( 40) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0031646 k( 41) = ( 0.4924242 0.0151515 0.0000000), wk = 0.0031646 k( 42) = ( 0.4848485 0.0303030 -0.0000000), wk = 0.0031646 k( 43) = ( 0.4772727 0.0454545 0.0000000), wk = 0.0031646 k( 44) = ( 0.4696970 0.0606061 -0.0000000), wk = 0.0031646 k( 45) = ( 0.4621212 0.0757576 -0.0000000), wk = 0.0031646 k( 46) = ( 0.4545455 0.0909091 -0.0000000), wk = 0.0031646 k( 47) = ( 0.4469697 0.1060606 -0.0000000), wk = 0.0031646 k( 48) = ( 0.4393939 0.1212121 -0.0000000), wk = 0.0031646 k( 49) = ( 0.4318182 0.1363636 -0.0000000), wk = 0.0031646 k( 50) = ( 0.4242424 0.1515152 -0.0000000), wk = 0.0031646 k( 51) = ( 0.4166667 0.1666667 0.0000000), wk = 0.0031646 k( 52) = ( 0.4090909 0.1818182 -0.0000000), wk = 0.0031646 k( 53) = ( 0.4015151 0.1969697 -0.0000000), wk = 0.0031646 k( 54) = ( 0.3939394 0.2121212 -0.0000000), wk = 0.0031646 k( 55) = ( 0.3863636 0.2272727 -0.0000000), wk = 0.0031646 k( 56) = ( 0.3787879 0.2424242 -0.0000000), wk = 0.0031646 k( 57) = ( 0.3712121 0.2575758 -0.0000000), wk = 0.0031646 k( 58) = ( 0.3636364 0.2727273 -0.0000000), wk = 0.0031646 k( 59) = ( 0.3560606 0.2878788 0.0000000), wk = 0.0031646 k( 60) = ( 0.3484849 0.3030303 -0.0000000), wk = 0.0031646 k( 61) = ( 0.3409091 0.3181818 0.0000000), wk = 0.0031646 k( 62) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0031646 k( 63) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0031646 k( 64) = ( 0.3257576 0.3257576 -0.0000000), wk = 0.0031646 k( 65) = ( 0.3181818 0.3181818 0.0000000), wk = 0.0031646 k( 66) = ( 0.3106061 0.3106061 -0.0000000), wk = 0.0031646 k( 67) = ( 0.3030303 0.3030303 0.0000000), wk = 0.0031646 k( 68) = ( 0.2954545 0.2954545 0.0000000), wk = 0.0031646 k( 69) = ( 0.2878788 0.2878788 0.0000000), wk = 0.0031646 k( 70) = ( 0.2803030 0.2803030 -0.0000000), wk = 0.0031646 k( 71) = ( 0.2727273 0.2727273 -0.0000000), wk = 0.0031646 k( 72) = ( 0.2651515 0.2651515 -0.0000000), wk = 0.0031646 k( 73) = ( 0.2575758 0.2575758 -0.0000000), wk = 0.0031646 k( 74) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0031646 k( 75) = ( 0.2424242 0.2424242 0.0000000), wk = 0.0031646 k( 76) = ( 0.2348485 0.2348485 -0.0000000), wk = 0.0031646 k( 77) = ( 0.2272727 0.2272727 -0.0000000), wk = 0.0031646 k( 78) = ( 0.2196970 0.2196970 -0.0000000), wk = 0.0031646 k( 79) = ( 0.2121212 0.2121212 -0.0000000), wk = 0.0031646 k( 80) = ( 0.2045454 0.2045454 -0.0000000), wk = 0.0031646 k( 81) = ( 0.1969697 0.1969697 -0.0000000), wk = 0.0031646 k( 82) = ( 0.1893939 0.1893939 -0.0000000), wk = 0.0031646 k( 83) = ( 0.1818182 0.1818182 -0.0000000), wk = 0.0031646 k( 84) = ( 0.1742424 0.1742424 -0.0000000), wk = 0.0031646 k( 85) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0031646 k( 86) = ( 0.1590909 0.1590909 0.0000000), wk = 0.0031646 k( 87) = ( 0.1515151 0.1515151 0.0000000), wk = 0.0031646 k( 88) = ( 0.1439394 0.1439394 0.0000000), wk = 0.0031646 k( 89) = ( 0.1363636 0.1363636 -0.0000000), wk = 0.0031646 k( 90) = ( 0.1287879 0.1287879 -0.0000000), wk = 0.0031646 k( 91) = ( 0.1212121 0.1212121 0.0000000), wk = 0.0031646 k( 92) = ( 0.1136364 0.1136364 -0.0000000), wk = 0.0031646 k( 93) = ( 0.1060606 0.1060606 -0.0000000), wk = 0.0031646 k( 94) = ( 0.0984848 0.0984848 -0.0000000), wk = 0.0031646 k( 95) = ( 0.0909091 0.0909091 -0.0000000), wk = 0.0031646 k( 96) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0031646 k( 97) = ( 0.0757576 0.0757576 0.0000000), wk = 0.0031646 k( 98) = ( 0.0681818 0.0681818 -0.0000000), wk = 0.0031646 k( 99) = ( 0.0606061 0.0606061 0.0000000), wk = 0.0031646 k( 100) = ( 0.0530303 0.0530303 0.0000000), wk = 0.0031646 k( 101) = ( 0.0454546 0.0454546 0.0000000), wk = 0.0031646 k( 102) = ( 0.0378788 0.0378788 0.0000000), wk = 0.0031646 k( 103) = ( 0.0303030 0.0303030 0.0000000), wk = 0.0031646 k( 104) = ( 0.0227273 0.0227273 -0.0000000), wk = 0.0031646 k( 105) = ( 0.0151515 0.0151515 -0.0000000), wk = 0.0031646 k( 106) = ( 0.0075758 0.0075758 -0.0000000), wk = 0.0031646 k( 107) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031646 k( 108) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031646 k( 109) = ( 0.0000000 0.0000000 0.0151515), wk = 0.0031646 k( 110) = ( 0.0000000 0.0000000 0.0303030), wk = 0.0031646 k( 111) = ( 0.0000000 0.0000000 0.0454546), wk = 0.0031646 k( 112) = ( 0.0000000 0.0000000 0.0606061), wk = 0.0031646 k( 113) = ( 0.0000000 0.0000000 0.0757576), wk = 0.0031646 k( 114) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0031646 k( 115) = ( 0.0000000 0.0000000 0.1060606), wk = 0.0031646 k( 116) = ( 0.0000000 0.0000000 0.1212121), wk = 0.0031646 k( 117) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0031646 k( 118) = ( 0.0000000 0.0000000 0.1515152), wk = 0.0031646 k( 119) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0031646 k( 120) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0031646 k( 121) = ( 0.0000000 0.0000000 0.1969697), wk = 0.0031646 k( 122) = ( 0.0000000 0.0000000 0.2121212), wk = 0.0031646 k( 123) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0031646 k( 124) = ( 0.0000000 0.0000000 0.2424242), wk = 0.0031646 k( 125) = ( 0.0000000 0.0000000 0.2575758), wk = 0.0031646 k( 126) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0031646 k( 127) = ( 0.0000000 0.0000000 0.2878788), wk = 0.0031646 k( 128) = ( 0.0000000 0.0000000 0.3030303), wk = 0.0031646 k( 129) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0031646 k( 130) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0031646 k( 131) = ( 0.0000000 0.0000000 0.3484849), wk = 0.0031646 k( 132) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0031646 k( 133) = ( 0.0000000 0.0000000 0.3787879), wk = 0.0031646 k( 134) = ( 0.0000000 0.0000000 0.3939394), wk = 0.0031646 k( 135) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0031646 k( 136) = ( 0.0000000 0.0000000 0.4242424), wk = 0.0031646 k( 137) = ( 0.0000000 0.0000000 0.4393939), wk = 0.0031646 k( 138) = ( 0.0000000 0.0000000 0.4545455), wk = 0.0031646 k( 139) = ( 0.0000000 0.0000000 0.4696970), wk = 0.0031646 k( 140) = ( 0.0000000 0.0000000 0.4848485), wk = 0.0031646 k( 141) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031646 k( 142) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031646 k( 143) = ( 0.0131579 -0.0000000 0.5000000), wk = 0.0031646 k( 144) = ( 0.0263158 -0.0000000 0.5000000), wk = 0.0031646 k( 145) = ( 0.0394737 -0.0000000 0.5000000), wk = 0.0031646 k( 146) = ( 0.0526316 -0.0000000 0.5000000), wk = 0.0031646 k( 147) = ( 0.0657895 -0.0000000 0.5000000), wk = 0.0031646 k( 148) = ( 0.0789474 -0.0000000 0.5000000), wk = 0.0031646 k( 149) = ( 0.0921053 0.0000000 0.5000000), wk = 0.0031646 k( 150) = ( 0.1052632 -0.0000000 0.5000000), wk = 0.0031646 k( 151) = ( 0.1184210 -0.0000000 0.5000000), wk = 0.0031646 k( 152) = ( 0.1315790 -0.0000000 0.5000000), wk = 0.0031646 k( 153) = ( 0.1447368 -0.0000000 0.5000000), wk = 0.0031646 k( 154) = ( 0.1578947 -0.0000000 0.5000000), wk = 0.0031646 k( 155) = ( 0.1710526 -0.0000000 0.5000000), wk = 0.0031646 k( 156) = ( 0.1842105 0.0000000 0.5000000), wk = 0.0031646 k( 157) = ( 0.1973684 -0.0000000 0.5000000), wk = 0.0031646 k( 158) = ( 0.2105263 -0.0000000 0.5000000), wk = 0.0031646 k( 159) = ( 0.2236842 -0.0000000 0.5000000), wk = 0.0031646 k( 160) = ( 0.2368421 -0.0000000 0.5000000), wk = 0.0031646 k( 161) = ( 0.2500000 -0.0000000 0.5000000), wk = 0.0031646 k( 162) = ( 0.2631579 -0.0000000 0.5000000), wk = 0.0031646 k( 163) = ( 0.2763158 -0.0000000 0.5000000), wk = 0.0031646 k( 164) = ( 0.2894737 -0.0000000 0.5000000), wk = 0.0031646 k( 165) = ( 0.3026316 -0.0000000 0.5000000), wk = 0.0031646 k( 166) = ( 0.3157895 -0.0000000 0.5000000), wk = 0.0031646 k( 167) = ( 0.3289474 -0.0000000 0.5000000), wk = 0.0031646 k( 168) = ( 0.3421053 -0.0000000 0.5000000), wk = 0.0031646 k( 169) = ( 0.3552632 -0.0000000 0.5000000), wk = 0.0031646 k( 170) = ( 0.3684211 -0.0000000 0.5000000), wk = 0.0031646 k( 171) = ( 0.3815789 -0.0000000 0.5000000), wk = 0.0031646 k( 172) = ( 0.3947368 -0.0000000 0.5000000), wk = 0.0031646 k( 173) = ( 0.4078947 -0.0000000 0.5000000), wk = 0.0031646 k( 174) = ( 0.4210526 -0.0000000 0.5000000), wk = 0.0031646 k( 175) = ( 0.4342105 -0.0000000 0.5000000), wk = 0.0031646 k( 176) = ( 0.4473684 -0.0000000 0.5000000), wk = 0.0031646 k( 177) = ( 0.4605263 -0.0000000 0.5000000), wk = 0.0031646 k( 178) = ( 0.4736842 -0.0000000 0.5000000), wk = 0.0031646 k( 179) = ( 0.4868421 -0.0000000 0.5000000), wk = 0.0031646 k( 180) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0031646 k( 181) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0031646 k( 182) = ( 0.4924242 0.0151515 0.5000000), wk = 0.0031646 k( 183) = ( 0.4848485 0.0303030 0.5000000), wk = 0.0031646 k( 184) = ( 0.4772727 0.0454545 0.5000000), wk = 0.0031646 k( 185) = ( 0.4696970 0.0606061 0.5000000), wk = 0.0031646 k( 186) = ( 0.4621212 0.0757576 0.5000000), wk = 0.0031646 k( 187) = ( 0.4545455 0.0909091 0.5000000), wk = 0.0031646 k( 188) = ( 0.4469697 0.1060606 0.5000000), wk = 0.0031646 k( 189) = ( 0.4393939 0.1212121 0.5000000), wk = 0.0031646 k( 190) = ( 0.4318182 0.1363636 0.5000000), wk = 0.0031646 k( 191) = ( 0.4242424 0.1515152 0.5000000), wk = 0.0031646 k( 192) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0031646 k( 193) = ( 0.4090909 0.1818182 0.5000000), wk = 0.0031646 k( 194) = ( 0.4015151 0.1969697 0.5000000), wk = 0.0031646 k( 195) = ( 0.3939394 0.2121212 0.5000000), wk = 0.0031646 k( 196) = ( 0.3863636 0.2272727 0.5000000), wk = 0.0031646 k( 197) = ( 0.3787879 0.2424242 0.5000000), wk = 0.0031646 k( 198) = ( 0.3712121 0.2575758 0.5000000), wk = 0.0031646 k( 199) = ( 0.3636364 0.2727273 0.5000000), wk = 0.0031646 k( 200) = ( 0.3560606 0.2878788 0.5000000), wk = 0.0031646 k( 201) = ( 0.3484849 0.3030303 0.5000000), wk = 0.0031646 k( 202) = ( 0.3409091 0.3181818 0.5000000), wk = 0.0031646 k( 203) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0031646 k( 204) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0031646 k( 205) = ( 0.3257576 0.3257576 0.5000000), wk = 0.0031646 k( 206) = ( 0.3181818 0.3181818 0.5000000), wk = 0.0031646 k( 207) = ( 0.3106061 0.3106061 0.5000000), wk = 0.0031646 k( 208) = ( 0.3030303 0.3030303 0.5000000), wk = 0.0031646 k( 209) = ( 0.2954545 0.2954545 0.5000000), wk = 0.0031646 k( 210) = ( 0.2878788 0.2878788 0.5000000), wk = 0.0031646 k( 211) = ( 0.2803030 0.2803030 0.5000000), wk = 0.0031646 k( 212) = ( 0.2727273 0.2727273 0.5000000), wk = 0.0031646 k( 213) = ( 0.2651515 0.2651515 0.5000000), wk = 0.0031646 k( 214) = ( 0.2575758 0.2575758 0.5000000), wk = 0.0031646 k( 215) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0031646 k( 216) = ( 0.2424242 0.2424242 0.5000000), wk = 0.0031646 k( 217) = ( 0.2348485 0.2348485 0.5000000), wk = 0.0031646 k( 218) = ( 0.2272727 0.2272727 0.5000000), wk = 0.0031646 k( 219) = ( 0.2196970 0.2196970 0.5000000), wk = 0.0031646 k( 220) = ( 0.2121212 0.2121212 0.5000000), wk = 0.0031646 k( 221) = ( 0.2045454 0.2045454 0.5000000), wk = 0.0031646 k( 222) = ( 0.1969697 0.1969697 0.5000000), wk = 0.0031646 k( 223) = ( 0.1893939 0.1893939 0.5000000), wk = 0.0031646 k( 224) = ( 0.1818182 0.1818182 0.5000000), wk = 0.0031646 k( 225) = ( 0.1742424 0.1742424 0.5000000), wk = 0.0031646 k( 226) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0031646 k( 227) = ( 0.1590909 0.1590909 0.5000000), wk = 0.0031646 k( 228) = ( 0.1515151 0.1515151 0.5000000), wk = 0.0031646 k( 229) = ( 0.1439394 0.1439394 0.5000000), wk = 0.0031646 k( 230) = ( 0.1363636 0.1363636 0.5000000), wk = 0.0031646 k( 231) = ( 0.1287879 0.1287879 0.5000000), wk = 0.0031646 k( 232) = ( 0.1212121 0.1212121 0.5000000), wk = 0.0031646 k( 233) = ( 0.1136364 0.1136364 0.5000000), wk = 0.0031646 k( 234) = ( 0.1060606 0.1060606 0.5000000), wk = 0.0031646 k( 235) = ( 0.0984848 0.0984848 0.5000000), wk = 0.0031646 k( 236) = ( 0.0909091 0.0909091 0.5000000), wk = 0.0031646 k( 237) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0031646 k( 238) = ( 0.0757576 0.0757576 0.5000000), wk = 0.0031646 k( 239) = ( 0.0681818 0.0681818 0.5000000), wk = 0.0031646 k( 240) = ( 0.0606061 0.0606061 0.5000000), wk = 0.0031646 k( 241) = ( 0.0530303 0.0530303 0.5000000), wk = 0.0031646 k( 242) = ( 0.0454546 0.0454546 0.5000000), wk = 0.0031646 k( 243) = ( 0.0378788 0.0378788 0.5000000), wk = 0.0031646 k( 244) = ( 0.0303030 0.0303030 0.5000000), wk = 0.0031646 k( 245) = ( 0.0227273 0.0227273 0.5000000), wk = 0.0031646 k( 246) = ( 0.0151515 0.0151515 0.5000000), wk = 0.0031646 k( 247) = ( 0.0075758 0.0075758 0.5000000), wk = 0.0031646 k( 248) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031646 k( 249) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0031646 k( 250) = ( 0.5000000 -0.0000000 0.4848485), wk = 0.0031646 k( 251) = ( 0.5000000 -0.0000000 0.4696970), wk = 0.0031646 k( 252) = ( 0.5000000 -0.0000000 0.4545455), wk = 0.0031646 k( 253) = ( 0.5000000 -0.0000000 0.4393939), wk = 0.0031646 k( 254) = ( 0.5000000 -0.0000000 0.4242424), wk = 0.0031646 k( 255) = ( 0.5000000 -0.0000000 0.4090909), wk = 0.0031646 k( 256) = ( 0.5000000 -0.0000000 0.3939394), wk = 0.0031646 k( 257) = ( 0.5000000 -0.0000000 0.3787879), wk = 0.0031646 k( 258) = ( 0.5000000 -0.0000000 0.3636364), wk = 0.0031646 k( 259) = ( 0.5000000 -0.0000000 0.3484849), wk = 0.0031646 k( 260) = ( 0.5000000 -0.0000000 0.3333333), wk = 0.0031646 k( 261) = ( 0.5000000 -0.0000000 0.3181818), wk = 0.0031646 k( 262) = ( 0.5000000 -0.0000000 0.3030303), wk = 0.0031646 k( 263) = ( 0.5000000 -0.0000000 0.2878788), wk = 0.0031646 k( 264) = ( 0.5000000 -0.0000000 0.2727273), wk = 0.0031646 k( 265) = ( 0.5000000 -0.0000000 0.2575758), wk = 0.0031646 k( 266) = ( 0.5000000 -0.0000000 0.2424242), wk = 0.0031646 k( 267) = ( 0.5000000 -0.0000000 0.2272727), wk = 0.0031646 k( 268) = ( 0.5000000 -0.0000000 0.2121212), wk = 0.0031646 k( 269) = ( 0.5000000 -0.0000000 0.1969697), wk = 0.0031646 k( 270) = ( 0.5000000 -0.0000000 0.1818182), wk = 0.0031646 k( 271) = ( 0.5000000 -0.0000000 0.1666667), wk = 0.0031646 k( 272) = ( 0.5000000 -0.0000000 0.1515151), wk = 0.0031646 k( 273) = ( 0.5000000 -0.0000000 0.1363636), wk = 0.0031646 k( 274) = ( 0.5000000 -0.0000000 0.1212121), wk = 0.0031646 k( 275) = ( 0.5000000 -0.0000000 0.1060606), wk = 0.0031646 k( 276) = ( 0.5000000 -0.0000000 0.0909091), wk = 0.0031646 k( 277) = ( 0.5000000 -0.0000000 0.0757576), wk = 0.0031646 k( 278) = ( 0.5000000 -0.0000000 0.0606061), wk = 0.0031646 k( 279) = ( 0.5000000 -0.0000000 0.0454546), wk = 0.0031646 k( 280) = ( 0.5000000 -0.0000000 0.0303030), wk = 0.0031646 k( 281) = ( 0.5000000 -0.0000000 0.0151515), wk = 0.0031646 k( 282) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0031646 k( 283) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0031646 k( 284) = ( 0.3333333 0.3333333 0.0151515), wk = 0.0031646 k( 285) = ( 0.3333333 0.3333333 0.0303030), wk = 0.0031646 k( 286) = ( 0.3333333 0.3333333 0.0454546), wk = 0.0031646 k( 287) = ( 0.3333333 0.3333333 0.0606061), wk = 0.0031646 k( 288) = ( 0.3333333 0.3333333 0.0757576), wk = 0.0031646 k( 289) = ( 0.3333333 0.3333333 0.0909091), wk = 0.0031646 k( 290) = ( 0.3333333 0.3333333 0.1060606), wk = 0.0031646 k( 291) = ( 0.3333333 0.3333333 0.1212121), wk = 0.0031646 k( 292) = ( 0.3333333 0.3333333 0.1363636), wk = 0.0031646 k( 293) = ( 0.3333333 0.3333333 0.1515151), wk = 0.0031646 k( 294) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0031646 k( 295) = ( 0.3333333 0.3333333 0.1818182), wk = 0.0031646 k( 296) = ( 0.3333333 0.3333333 0.1969697), wk = 0.0031646 k( 297) = ( 0.3333333 0.3333333 0.2121212), wk = 0.0031646 k( 298) = ( 0.3333333 0.3333333 0.2272727), wk = 0.0031646 k( 299) = ( 0.3333333 0.3333333 0.2424242), wk = 0.0031646 k( 300) = ( 0.3333333 0.3333333 0.2575758), wk = 0.0031646 k( 301) = ( 0.3333333 0.3333333 0.2727273), wk = 0.0031646 k( 302) = ( 0.3333333 0.3333333 0.2878788), wk = 0.0031646 k( 303) = ( 0.3333333 0.3333333 0.3030303), wk = 0.0031646 k( 304) = ( 0.3333333 0.3333333 0.3181818), wk = 0.0031646 k( 305) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0031646 k( 306) = ( 0.3333333 0.3333333 0.3484849), wk = 0.0031646 k( 307) = ( 0.3333333 0.3333333 0.3636364), wk = 0.0031646 k( 308) = ( 0.3333333 0.3333333 0.3787879), wk = 0.0031646 k( 309) = ( 0.3333333 0.3333333 0.3939394), wk = 0.0031646 k( 310) = ( 0.3333333 0.3333333 0.4090909), wk = 0.0031646 k( 311) = ( 0.3333333 0.3333333 0.4242424), wk = 0.0031646 k( 312) = ( 0.3333333 0.3333333 0.4393939), wk = 0.0031646 k( 313) = ( 0.3333333 0.3333333 0.4545455), wk = 0.0031646 k( 314) = ( 0.3333333 0.3333333 0.4696970), wk = 0.0031646 k( 315) = ( 0.3333333 0.3333333 0.4848485), wk = 0.0031646 k( 316) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0031646 Dense grid: 180775 G-vectors FFT dimensions: ( 75, 75, 75) Smooth grid: 28793 G-vectors FFT dimensions: ( 40, 40, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.23 Mb ( 216, 70) NL pseudopotentials 0.24 Mb ( 108, 146) Each V/rho on FFT grid 0.26 Mb ( 16875) Each G-vector array 0.04 Mb ( 5022) G-vector shells 0.02 Mb ( 2199) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.92 Mb ( 216, 280) Each subspace H/S matrix 0.07 Mb ( 70, 70) Each matrix 0.31 Mb ( 146, 2, 70) The potential is recalculated from file : ./CdxAsO3x2.save/charge-density.dat Starting wfc are 82 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.7 secs Computing kpt #: 2 total cpu time spent up to now is 3.5 secs Computing kpt #: 3 total cpu time spent up to now is 4.4 secs Computing kpt #: 4 total cpu time spent up to now is 5.4 secs Computing kpt #: 5 total cpu time spent up to now is 6.3 secs Computing kpt #: 6 total cpu time spent up to now is 7.2 secs Computing kpt #: 7 total cpu time spent up to now is 8.3 secs Computing kpt #: 8 total cpu time spent up to now is 9.4 secs Computing kpt #: 9 total cpu time spent up to now is 10.5 secs Computing kpt #: 10 total cpu time spent up to now is 11.7 secs Computing kpt #: 11 total cpu time spent up to now is 12.8 secs Computing kpt #: 12 total cpu time spent up to now is 14.1 secs Computing kpt #: 13 total cpu time spent up to now is 15.8 secs Computing kpt #: 14 total cpu time spent up to now is 17.7 secs Computing kpt #: 15 total cpu time spent up to now is 19.3 secs Computing kpt #: 16 total cpu time spent up to now is 20.7 secs Computing kpt #: 17 total cpu time spent up to now is 21.9 secs Computing kpt #: 18 total cpu time spent up to now is 23.2 secs Computing kpt #: 19 total cpu time spent up to now is 24.3 secs Computing kpt #: 20 total cpu time spent up to now is 25.4 secs Computing kpt #: 21 total cpu time spent up to now is 26.7 secs Computing kpt #: 22 total cpu time spent up to now is 28.0 secs Computing kpt #: 23 total cpu time spent up to now is 29.1 secs Computing kpt #: 24 total cpu time spent up to now is 30.0 secs Computing kpt #: 25 total cpu time spent up to now is 31.0 secs Computing kpt #: 26 total cpu time spent up to now is 31.9 secs Computing kpt #: 27 total cpu time spent up to now is 32.7 secs Computing kpt #: 28 total cpu time spent up to now is 33.6 secs Computing kpt #: 29 total cpu time spent up to now is 34.5 secs Computing kpt #: 30 total cpu time spent up to now is 35.2 secs Computing kpt #: 31 total cpu time spent up to now is 36.0 secs Computing kpt #: 32 total cpu time spent up to now is 36.8 secs Computing kpt #: 33 total cpu time spent up to now is 37.5 secs Computing kpt #: 34 total cpu time spent up to now is 38.3 secs Computing kpt #: 35 total cpu time spent up to now is 38.9 secs Computing kpt #: 36 total cpu time spent up to now is 39.7 secs Computing kpt #: 37 total cpu time spent up to now is 40.3 secs Computing kpt #: 38 total cpu time spent up to now is 41.0 secs Computing kpt #: 39 total cpu time spent up to now is 41.7 secs Computing kpt #: 40 total cpu time spent up to now is 42.3 secs Computing kpt #: 41 total cpu time spent up to now is 43.0 secs Computing kpt #: 42 total cpu time spent up to now is 43.7 secs Computing kpt #: 43 total cpu time spent up to now is 44.3 secs Computing kpt #: 44 total cpu time spent up to now is 45.0 secs Computing kpt #: 45 total cpu time spent up to now is 45.8 secs Computing kpt #: 46 total cpu time spent up to now is 46.6 secs Computing kpt #: 47 total cpu time spent up to now is 47.5 secs Computing kpt #: 48 total cpu time spent up to now is 48.5 secs Computing kpt #: 49 total cpu time spent up to now is 49.5 secs Computing kpt #: 50 total cpu time spent up to now is 50.7 secs Computing kpt #: 51 total cpu time spent up to now is 52.0 secs Computing kpt #: 52 total cpu time spent up to now is 53.7 secs Computing kpt #: 53 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 55.8 secs Computing kpt #: 54 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 57.8 secs Computing kpt #: 55 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 59.9 secs Computing kpt #: 56 total cpu time spent up to now is 61.9 secs Computing kpt #: 57 total cpu time spent up to now is 63.6 secs Computing kpt #: 58 total cpu time spent up to now is 64.8 secs Computing kpt #: 59 total cpu time spent up to now is 66.0 secs Computing kpt #: 60 total cpu time spent up to now is 67.0 secs Computing kpt #: 61 total cpu time spent up to now is 68.1 secs Computing kpt #: 62 total cpu time spent up to now is 69.2 secs Computing kpt #: 63 total cpu time spent up to now is 70.2 secs Computing kpt #: 64 total cpu time spent up to now is 71.2 secs Computing kpt #: 65 total cpu time spent up to now is 72.3 secs Computing kpt #: 66 total cpu time spent up to now is 73.4 secs Computing kpt #: 67 total cpu time spent up to now is 74.6 secs Computing kpt #: 68 total cpu time spent up to now is 75.8 secs Computing kpt #: 69 total cpu time spent up to now is 77.1 secs Computing kpt #: 70 total cpu time spent up to now is 78.7 secs Computing kpt #: 71 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 80.7 secs Computing kpt #: 72 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 82.8 secs Computing kpt #: 73 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 84.8 secs Computing kpt #: 74 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 86.9 secs Computing kpt #: 75 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 88.9 secs Computing kpt #: 76 total cpu time spent up to now is 90.8 secs Computing kpt #: 77 total cpu time spent up to now is 92.2 secs Computing kpt #: 78 total cpu time spent up to now is 93.5 secs Computing kpt #: 79 total cpu time spent up to now is 94.9 secs Computing kpt #: 80 total cpu time spent up to now is 95.9 secs Computing kpt #: 81 total cpu time spent up to now is 97.1 secs Computing kpt #: 82 total cpu time spent up to now is 98.1 secs Computing kpt #: 83 total cpu time spent up to now is 99.2 secs Computing kpt #: 84 total cpu time spent up to now is 100.3 secs Computing kpt #: 85 total cpu time spent up to now is 101.4 secs Computing kpt #: 86 total cpu time spent up to now is 102.5 secs Computing kpt #: 87 total cpu time spent up to now is 103.6 secs Computing kpt #: 88 total cpu time spent up to now is 104.7 secs Computing kpt #: 89 total cpu time spent up to now is 105.9 secs Computing kpt #: 90 total cpu time spent up to now is 107.1 secs Computing kpt #: 91 total cpu time spent up to now is 109.0 secs Computing kpt #: 92 total cpu time spent up to now is 110.8 secs Computing kpt #: 93 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 112.9 secs Computing kpt #: 94 total cpu time spent up to now is 114.2 secs Computing kpt #: 95 total cpu time spent up to now is 115.9 secs Computing kpt #: 96 total cpu time spent up to now is 117.1 secs Computing kpt #: 97 total cpu time spent up to now is 118.4 secs Computing kpt #: 98 total cpu time spent up to now is 119.5 secs Computing kpt #: 99 total cpu time spent up to now is 120.6 secs Computing kpt #: 100 total cpu time spent up to now is 121.7 secs Computing kpt #: 101 total cpu time spent up to now is 122.8 secs Computing kpt #: 102 total cpu time spent up to now is 123.8 secs Computing kpt #: 103 total cpu time spent up to now is 124.8 secs Computing kpt #: 104 total cpu time spent up to now is 125.7 secs Computing kpt #: 105 total cpu time spent up to now is 126.6 secs Computing kpt #: 106 total cpu time spent up to now is 127.4 secs Computing kpt #: 107 total cpu time spent up to now is 128.2 secs Computing kpt #: 108 total cpu time spent up to now is 129.0 secs Computing kpt #: 109 total cpu time spent up to now is 129.7 secs Computing kpt #: 110 total cpu time spent up to now is 130.6 secs Computing kpt #: 111 total cpu time spent up to now is 131.6 secs Computing kpt #: 112 total cpu time spent up to now is 132.5 secs Computing kpt #: 113 total cpu time spent up to now is 133.5 secs Computing kpt #: 114 total cpu time spent up to now is 134.4 secs Computing kpt #: 115 total cpu time spent up to now is 135.4 secs Computing kpt #: 116 total cpu time spent up to now is 136.4 secs Computing kpt #: 117 total cpu time spent up to now is 137.4 secs Computing kpt #: 118 total cpu time spent up to now is 138.4 secs Computing kpt #: 119 total cpu time spent up to now is 139.3 secs Computing kpt #: 120 total cpu time spent up to now is 140.3 secs Computing kpt #: 121 total cpu time spent up to now is 141.4 secs Computing kpt #: 122 total cpu time spent up to now is 142.5 secs Computing kpt #: 123 total cpu time spent up to now is 143.5 secs Computing kpt #: 124 total cpu time spent up to now is 144.5 secs Computing kpt #: 125 total cpu time spent up to now is 145.6 secs Computing kpt #: 126 total cpu time spent up to now is 146.6 secs Computing kpt #: 127 total cpu time spent up to now is 147.7 secs Computing kpt #: 128 total cpu time spent up to now is 148.8 secs Computing kpt #: 129 total cpu time spent up to now is 149.9 secs Computing kpt #: 130 total cpu time spent up to now is 151.0 secs Computing kpt #: 131 total cpu time spent up to now is 152.1 secs Computing kpt #: 132 total cpu time spent up to now is 153.2 secs Computing kpt #: 133 total cpu time spent up to now is 154.4 secs Computing kpt #: 134 total cpu time spent up to now is 155.6 secs Computing kpt #: 135 total cpu time spent up to now is 157.3 secs Computing kpt #: 136 total cpu time spent up to now is 159.1 secs Computing kpt #: 137 total cpu time spent up to now is 160.5 secs Computing kpt #: 138 total cpu time spent up to now is 162.2 secs Computing kpt #: 139 total cpu time spent up to now is 163.7 secs Computing kpt #: 140 total cpu time spent up to now is 165.1 secs Computing kpt #: 141 total cpu time spent up to now is 166.5 secs Computing kpt #: 142 total cpu time spent up to now is 167.9 secs Computing kpt #: 143 total cpu time spent up to now is 169.3 secs Computing kpt #: 144 total cpu time spent up to now is 170.5 secs Computing kpt #: 145 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 172.6 secs Computing kpt #: 146 total cpu time spent up to now is 174.6 secs Computing kpt #: 147 total cpu time spent up to now is 175.9 secs Computing kpt #: 148 total cpu time spent up to now is 177.6 secs Computing kpt #: 149 total cpu time spent up to now is 179.0 secs Computing kpt #: 150 total cpu time spent up to now is 180.7 secs Computing kpt #: 151 total cpu time spent up to now is 182.3 secs Computing kpt #: 152 total cpu time spent up to now is 183.6 secs Computing kpt #: 153 total cpu time spent up to now is 185.2 secs Computing kpt #: 154 total cpu time spent up to now is 186.7 secs Computing kpt #: 155 total cpu time spent up to now is 188.4 secs Computing kpt #: 156 total cpu time spent up to now is 190.0 secs Computing kpt #: 157 total cpu time spent up to now is 191.3 secs Computing kpt #: 158 total cpu time spent up to now is 192.5 secs Computing kpt #: 159 total cpu time spent up to now is 193.6 secs Computing kpt #: 160 total cpu time spent up to now is 194.7 secs Computing kpt #: 161 total cpu time spent up to now is 195.8 secs Computing kpt #: 162 total cpu time spent up to now is 196.9 secs Computing kpt #: 163 total cpu time spent up to now is 198.0 secs Computing kpt #: 164 total cpu time spent up to now is 199.1 secs Computing kpt #: 165 total cpu time spent up to now is 200.1 secs Computing kpt #: 166 total cpu time spent up to now is 201.2 secs Computing kpt #: 167 total cpu time spent up to now is 202.3 secs Computing kpt #: 168 total cpu time spent up to now is 203.4 secs Computing kpt #: 169 total cpu time spent up to now is 204.4 secs Computing kpt #: 170 total cpu time spent up to now is 205.5 secs Computing kpt #: 171 total cpu time spent up to now is 206.6 secs Computing kpt #: 172 total cpu time spent up to now is 207.5 secs Computing kpt #: 173 total cpu time spent up to now is 208.5 secs Computing kpt #: 174 total cpu time spent up to now is 209.5 secs Computing kpt #: 175 total cpu time spent up to now is 210.4 secs Computing kpt #: 176 total cpu time spent up to now is 211.3 secs Computing kpt #: 177 total cpu time spent up to now is 212.2 secs Computing kpt #: 178 total cpu time spent up to now is 213.2 secs Computing kpt #: 179 total cpu time spent up to now is 214.1 secs Computing kpt #: 180 total cpu time spent up to now is 214.9 secs Computing kpt #: 181 total cpu time spent up to now is 215.7 secs Computing kpt #: 182 total cpu time spent up to now is 216.6 secs Computing kpt #: 183 total cpu time spent up to now is 217.5 secs Computing kpt #: 184 total cpu time spent up to now is 218.4 secs Computing kpt #: 185 total cpu time spent up to now is 219.3 secs Computing kpt #: 186 total cpu time spent up to now is 220.3 secs Computing kpt #: 187 total cpu time spent up to now is 221.2 secs Computing kpt #: 188 total cpu time spent up to now is 222.2 secs Computing kpt #: 189 total cpu time spent up to now is 223.2 secs Computing kpt #: 190 total cpu time spent up to now is 224.2 secs Computing kpt #: 191 total cpu time spent up to now is 225.1 secs Computing kpt #: 192 total cpu time spent up to now is 226.1 secs Computing kpt #: 193 total cpu time spent up to now is 227.0 secs Computing kpt #: 194 total cpu time spent up to now is 228.0 secs Computing kpt #: 195 total cpu time spent up to now is 228.9 secs Computing kpt #: 196 total cpu time spent up to now is 229.8 secs Computing kpt #: 197 total cpu time spent up to now is 230.7 secs Computing kpt #: 198 total cpu time spent up to now is 231.6 secs Computing kpt #: 199 total cpu time spent up to now is 232.5 secs Computing kpt #: 200 total cpu time spent up to now is 233.4 secs Computing kpt #: 201 total cpu time spent up to now is 234.3 secs Computing kpt #: 202 total cpu time spent up to now is 235.0 secs Computing kpt #: 203 total cpu time spent up to now is 235.9 secs Computing kpt #: 204 total cpu time spent up to now is 236.8 secs Computing kpt #: 205 total cpu time spent up to now is 237.7 secs Computing kpt #: 206 total cpu time spent up to now is 238.6 secs Computing kpt #: 207 total cpu time spent up to now is 239.5 secs Computing kpt #: 208 total cpu time spent up to now is 240.4 secs Computing kpt #: 209 total cpu time spent up to now is 241.3 secs Computing kpt #: 210 total cpu time spent up to now is 242.2 secs Computing kpt #: 211 total cpu time spent up to now is 243.1 secs Computing kpt #: 212 total cpu time spent up to now is 243.9 secs Computing kpt #: 213 total cpu time spent up to now is 244.8 secs Computing kpt #: 214 total cpu time spent up to now is 245.7 secs Computing kpt #: 215 total cpu time spent up to now is 246.5 secs Computing kpt #: 216 total cpu time spent up to now is 247.3 secs Computing kpt #: 217 total cpu time spent up to now is 249.6 secs Computing kpt #: 218 total cpu time spent up to now is 250.4 secs Computing kpt #: 219 total cpu time spent up to now is 251.1 secs Computing kpt #: 220 total cpu time spent up to now is 252.2 secs Computing kpt #: 221 total cpu time spent up to now is 253.1 secs Computing kpt #: 222 total cpu time spent up to now is 254.1 secs Computing kpt #: 223 total cpu time spent up to now is 255.0 secs Computing kpt #: 224 total cpu time spent up to now is 256.0 secs Computing kpt #: 225 total cpu time spent up to now is 256.9 secs Computing kpt #: 226 total cpu time spent up to now is 257.9 secs Computing kpt #: 227 total cpu time spent up to now is 259.0 secs Computing kpt #: 228 total cpu time spent up to now is 260.1 secs Computing kpt #: 229 total cpu time spent up to now is 261.0 secs Computing kpt #: 230 total cpu time spent up to now is 262.1 secs Computing kpt #: 231 total cpu time spent up to now is 263.5 secs Computing kpt #: 232 total cpu time spent up to now is 265.1 secs Computing kpt #: 233 total cpu time spent up to now is 266.5 secs Computing kpt #: 234 total cpu time spent up to now is 267.9 secs Computing kpt #: 235 total cpu time spent up to now is 269.2 secs Computing kpt #: 236 total cpu time spent up to now is 270.6 secs Computing kpt #: 237 total cpu time spent up to now is 271.9 secs Computing kpt #: 238 total cpu time spent up to now is 273.2 secs Computing kpt #: 239 total cpu time spent up to now is 274.6 secs Computing kpt #: 240 total cpu time spent up to now is 275.8 secs Computing kpt #: 241 total cpu time spent up to now is 277.2 secs Computing kpt #: 242 total cpu time spent up to now is 278.5 secs Computing kpt #: 243 total cpu time spent up to now is 280.1 secs Computing kpt #: 244 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 282.2 secs Computing kpt #: 245 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 284.3 secs Computing kpt #: 246 total cpu time spent up to now is 285.9 secs Computing kpt #: 247 total cpu time spent up to now is 287.3 secs Computing kpt #: 248 total cpu time spent up to now is 288.6 secs Computing kpt #: 249 total cpu time spent up to now is 289.5 secs Computing kpt #: 250 total cpu time spent up to now is 290.4 secs Computing kpt #: 251 total cpu time spent up to now is 291.3 secs Computing kpt #: 252 total cpu time spent up to now is 292.2 secs Computing kpt #: 253 total cpu time spent up to now is 293.2 secs Computing kpt #: 254 total cpu time spent up to now is 294.3 secs Computing kpt #: 255 total cpu time spent up to now is 295.4 secs Computing kpt #: 256 total cpu time spent up to now is 296.8 secs Computing kpt #: 257 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 298.9 secs Computing kpt #: 258 total cpu time spent up to now is 300.8 secs Computing kpt #: 259 total cpu time spent up to now is 302.1 secs Computing kpt #: 260 total cpu time spent up to now is 303.3 secs Computing kpt #: 261 total cpu time spent up to now is 304.5 secs Computing kpt #: 262 total cpu time spent up to now is 305.6 secs Computing kpt #: 263 total cpu time spent up to now is 306.8 secs Computing kpt #: 264 total cpu time spent up to now is 307.8 secs Computing kpt #: 265 total cpu time spent up to now is 308.8 secs Computing kpt #: 266 total cpu time spent up to now is 309.7 secs Computing kpt #: 267 total cpu time spent up to now is 310.5 secs Computing kpt #: 268 total cpu time spent up to now is 311.3 secs Computing kpt #: 269 total cpu time spent up to now is 311.9 secs Computing kpt #: 270 total cpu time spent up to now is 312.6 secs Computing kpt #: 271 total cpu time spent up to now is 313.3 secs Computing kpt #: 272 total cpu time spent up to now is 313.9 secs Computing kpt #: 273 total cpu time spent up to now is 314.6 secs Computing kpt #: 274 total cpu time spent up to now is 315.4 secs Computing kpt #: 275 total cpu time spent up to now is 316.0 secs Computing kpt #: 276 total cpu time spent up to now is 316.6 secs Computing kpt #: 277 total cpu time spent up to now is 317.2 secs Computing kpt #: 278 total cpu time spent up to now is 317.8 secs Computing kpt #: 279 total cpu time spent up to now is 318.7 secs Computing kpt #: 280 total cpu time spent up to now is 319.3 secs Computing kpt #: 281 total cpu time spent up to now is 319.9 secs Computing kpt #: 282 total cpu time spent up to now is 320.5 secs Computing kpt #: 283 total cpu time spent up to now is 321.5 secs Computing kpt #: 284 total cpu time spent up to now is 322.6 secs Computing kpt #: 285 total cpu time spent up to now is 323.7 secs Computing kpt #: 286 total cpu time spent up to now is 324.9 secs Computing kpt #: 287 total cpu time spent up to now is 326.1 secs Computing kpt #: 288 total cpu time spent up to now is 327.7 secs Computing kpt #: 289 total cpu time spent up to now is 329.2 secs Computing kpt #: 290 total cpu time spent up to now is 330.6 secs Computing kpt #: 291 total cpu time spent up to now is 332.1 secs Computing kpt #: 292 total cpu time spent up to now is 333.7 secs Computing kpt #: 293 total cpu time spent up to now is 335.0 secs Computing kpt #: 294 total cpu time spent up to now is 336.3 secs Computing kpt #: 295 total cpu time spent up to now is 338.0 secs Computing kpt #: 296 total cpu time spent up to now is 339.4 secs Computing kpt #: 297 total cpu time spent up to now is 341.1 secs Computing kpt #: 298 total cpu time spent up to now is 342.5 secs Computing kpt #: 299 total cpu time spent up to now is 343.8 secs Computing kpt #: 300 total cpu time spent up to now is 345.3 secs Computing kpt #: 301 total cpu time spent up to now is 347.2 secs Computing kpt #: 302 total cpu time spent up to now is 348.6 secs Computing kpt #: 303 total cpu time spent up to now is 350.9 secs Computing kpt #: 304 total cpu time spent up to now is 352.3 secs Computing kpt #: 305 total cpu time spent up to now is 353.9 secs Computing kpt #: 306 total cpu time spent up to now is 355.4 secs Computing kpt #: 307 total cpu time spent up to now is 356.7 secs Computing kpt #: 308 total cpu time spent up to now is 358.0 secs Computing kpt #: 309 total cpu time spent up to now is 359.1 secs Computing kpt #: 310 total cpu time spent up to now is 360.2 secs Computing kpt #: 311 total cpu time spent up to now is 361.2 secs Computing kpt #: 312 total cpu time spent up to now is 362.1 secs Computing kpt #: 313 total cpu time spent up to now is 363.0 secs Computing kpt #: 314 total cpu time spent up to now is 364.0 secs Computing kpt #: 315 total cpu time spent up to now is 365.0 secs Computing kpt #: 316 total cpu time spent up to now is 365.9 secs ethr = 1.72E-08, avg # of iterations = 51.2 total cpu time spent up to now is 365.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3561 PWs) bands (ev): -14.3627 -14.3627 -11.0630 -11.0630 -11.0352 -11.0352 -10.8183 -10.8183 -9.6268 -9.6268 -9.6190 -9.6190 -4.8223 -4.8223 -0.7860 -0.7860 -0.0400 -0.0400 0.0438 0.0438 0.5487 0.5487 1.2612 1.2612 1.3491 1.3491 1.6973 1.6973 1.8298 1.8298 1.8846 1.8846 3.1991 3.1991 3.3269 3.3269 4.7345 4.7345 4.8577 4.8577 5.2530 5.2530 5.3120 5.3120 5.3674 5.3674 5.4176 5.4176 6.2594 6.2594 6.2824 6.2824 6.4939 6.4939 6.5218 6.5218 6.5554 6.5554 9.4141 9.4141 12.3594 12.3594 14.5166 14.5166 14.6601 14.6601 17.1795 17.1795 17.4859 17.4859 k = 0.0132 0.0076-0.0000 ( 3557 PWs) bands (ev): -14.3619 -14.3619 -11.0645 -11.0645 -11.0366 -11.0366 -10.8177 -10.8177 -9.6270 -9.6270 -9.6191 -9.6191 -4.8195 -4.8195 -0.7860 -0.7860 -0.0390 -0.0390 0.0448 0.0448 0.5474 0.5474 1.2608 1.2608 1.3483 1.3483 1.6955 1.6955 1.8329 1.8329 1.8882 1.8882 3.1962 3.1962 3.3238 3.3238 4.7383 4.7383 4.8585 4.8585 5.2416 5.2416 5.2996 5.2996 5.3779 5.3779 5.4287 5.4287 6.2552 6.2552 6.2779 6.2779 6.4874 6.4874 6.5159 6.5159 6.5700 6.5700 9.4200 9.4200 12.3601 12.3601 14.5145 14.5145 14.6632 14.6632 17.1789 17.1789 17.4848 17.4848 k = 0.0263 0.0152-0.0000 ( 3561 PWs) bands (ev): -14.3592 -14.3592 -11.0690 -11.0690 -11.0403 -11.0403 -10.8158 -10.8158 -9.6274 -9.6274 -9.6196 -9.6196 -4.8113 -4.8113 -0.7861 -0.7861 -0.0361 -0.0361 0.0476 0.0476 0.5436 0.5436 1.2596 1.2596 1.3459 1.3459 1.6905 1.6905 1.8417 1.8417 1.8991 1.8991 3.1871 3.1871 3.3151 3.3151 4.7493 4.7493 4.8609 4.8609 5.2154 5.2154 5.2716 5.2716 5.4014 5.4014 5.4533 5.4533 6.2413 6.2413 6.2663 6.2663 6.4689 6.4689 6.5154 6.5154 6.5953 6.5953 9.4378 9.4378 12.3624 12.3624 14.5082 14.5082 14.6726 14.6726 17.1769 17.1769 17.4815 17.4815 k = 0.0395 0.0228-0.0000 ( 3561 PWs) bands (ev): -14.3549 -14.3549 -11.0777 -11.0777 -11.0454 -11.0454 -10.8127 -10.8127 -9.6282 -9.6282 -9.6202 -9.6202 -4.7975 -4.7975 -0.7862 -0.7862 -0.0313 -0.0313 0.0524 0.0524 0.5375 0.5375 1.2576 1.2576 1.3422 1.3422 1.6834 1.6834 1.8550 1.8550 1.9171 1.9171 3.1707 3.1707 3.3026 3.3026 4.7655 4.7655 4.8645 4.8645 5.1839 5.1839 5.2385 5.2385 5.4285 5.4285 5.4817 5.4817 6.2166 6.2166 6.2498 6.2498 6.4486 6.4486 6.5194 6.5194 6.6216 6.6216 9.4669 9.4669 12.3662 12.3662 14.4979 14.4979 14.6881 14.6881 17.1732 17.1732 17.4761 17.4761 k = 0.0526 0.0304-0.0000 ( 3563 PWs) bands (ev): -14.3488 -14.3488 -11.0914 -11.0914 -11.0508 -11.0508 -10.8085 -10.8085 -9.6295 -9.6295 -9.6210 -9.6210 -4.7784 -4.7784 -0.7864 -0.7864 -0.0246 -0.0246 0.0590 0.0590 0.5294 0.5294 1.2547 1.2547 1.3374 1.3374 1.6752 1.6752 1.8711 1.8711 1.9417 1.9417 3.1461 3.1461 3.2884 3.2884 4.7835 4.7835 4.8687 4.8687 5.1520 5.1520 5.2056 5.2056 5.4550 5.4550 5.5106 5.5106 6.1832 6.1832 6.2281 6.2281 6.4316 6.4316 6.5243 6.5243 6.6470 6.6470 9.5068 9.5068 12.3713 12.3713 14.4836 14.4836 14.7096 14.7096 17.1675 17.1675 17.4691 17.4691 k = 0.0658 0.0380-0.0000 ( 3555 PWs) bands (ev): -14.3410 -14.3410 -11.1101 -11.1101 -11.0562 -11.0562 -10.8032 -10.8032 -9.6314 -9.6314 -9.6218 -9.6218 -4.7541 -4.7541 -0.7867 -0.7867 -0.0160 -0.0160 0.0675 0.0675 0.5199 0.5199 1.2510 1.2510 1.3321 1.3321 1.6668 1.6668 1.8888 1.8888 1.9728 1.9728 3.1128 3.1128 3.2742 3.2742 4.7981 4.7981 4.8723 4.8723 5.1215 5.1215 5.1785 5.1785 5.4786 5.4786 5.5390 5.5390 6.1442 6.1442 6.2006 6.2006 6.4194 6.4194 6.5286 6.5286 6.6710 6.6710 9.5566 9.5566 12.3779 12.3779 14.4655 14.4655 14.7368 14.7368 17.1591 17.1591 17.4609 17.4609 k = 0.0789 0.0456-0.0000 ( 3557 PWs) bands (ev): -14.3315 -14.3315 -11.1337 -11.1337 -11.0616 -11.0616 -10.7968 -10.7968 -9.6340 -9.6340 -9.6226 -9.6226 -4.7246 -4.7246 -0.7873 -0.7873 -0.0055 -0.0055 0.0777 0.0777 0.5093 0.5093 1.2461 1.2461 1.3266 1.3266 1.6587 1.6587 1.9072 1.9072 2.0098 2.0098 3.0716 3.0716 3.2604 3.2604 4.8030 4.8030 4.8734 4.8734 5.0931 5.0931 5.1649 5.1649 5.4975 5.4975 5.5667 5.5667 6.1020 6.1020 6.1680 6.1680 6.4118 6.4118 6.5317 6.5317 6.6932 6.6932 9.6155 9.6155 12.3857 12.3857 14.4439 14.4439 14.7695 14.7695 17.1473 17.1473 17.4520 17.4520 k = 0.0921 0.0532-0.0000 ( 3559 PWs) bands (ev): -14.3202 -14.3202 -11.1617 -11.1617 -11.0672 -11.0672 -10.7894 -10.7894 -9.6372 -9.6372 -9.6234 -9.6234 -4.6903 -4.6903 -0.7881 -0.7881 0.0068 0.0068 0.0897 0.0897 0.4982 0.4982 1.2400 1.2400 1.3215 1.3215 1.6511 1.6511 1.9256 1.9256 2.0517 2.0517 3.0241 3.0241 3.2468 3.2468 4.7930 4.7930 4.8689 4.8689 5.0685 5.0685 5.1702 5.1702 5.5098 5.5098 5.5936 5.5936 6.0596 6.0596 6.1317 6.1317 6.4079 6.4079 6.5334 6.5334 6.7134 6.7134 9.6825 9.6825 12.3947 12.3947 14.4189 14.4189 14.8073 14.8073 17.1312 17.1312 17.4431 17.4431 k = 0.1053 0.0608-0.0000 ( 3573 PWs) bands (ev): -14.3073 -14.3073 -11.1937 -11.1937 -11.0732 -11.0732 -10.7811 -10.7811 -9.6411 -9.6411 -9.6243 -9.6243 -4.6512 -4.6512 -0.7893 -0.7893 0.0208 0.0208 0.1033 0.1033 0.4872 0.4872 1.2326 1.2326 1.3170 1.3170 1.6442 1.6442 1.9438 1.9438 2.0978 2.0978 2.9720 2.9720 3.2330 3.2330 4.7675 4.7675 4.8543 4.8543 5.0528 5.0528 5.1932 5.1932 5.5136 5.5136 5.6199 5.6199 6.0195 6.0195 6.0932 6.0932 6.4070 6.4070 6.5336 6.5336 6.7315 6.7315 9.7566 9.7566 12.4048 12.4048 14.3907 14.3907 14.8499 14.8499 17.1098 17.1098 17.4348 17.4348 k = 0.1184 0.0684-0.0000 ( 3571 PWs) bands (ev): -14.2927 -14.2927 -11.2294 -11.2294 -11.0794 -11.0794 -10.7720 -10.7720 -9.6456 -9.6456 -9.6253 -9.6253 -4.6077 -4.6077 -0.7909 -0.7909 0.0365 0.0365 0.1184 0.1184 0.4769 0.4769 1.2240 1.2240 1.3136 1.3136 1.6381 1.6381 1.9613 1.9613 2.1470 2.1470 2.9170 2.9170 3.2184 3.2184 4.7295 4.7295 4.8274 4.8274 5.0491 5.0491 5.2286 5.2286 5.5072 5.5072 5.6458 5.6458 5.9846 5.9846 6.0540 6.0540 6.4083 6.4083 6.5325 6.5325 6.7476 6.7476 9.8369 9.8369 12.4159 12.4159 14.3597 14.3597 14.8969 14.8969 17.0824 17.0824 17.4277 17.4277 k = 0.1316 0.0760-0.0000 ( 3575 PWs) bands (ev): -14.2764 -14.2764 -11.2685 -11.2685 -11.0860 -11.0860 -10.7620 -10.7620 -9.6508 -9.6508 -9.6264 -9.6264 -4.5599 -4.5599 -0.7930 -0.7930 0.0538 0.0538 0.1348 0.1348 0.4679 0.4679 1.2145 1.2145 1.3112 1.3112 1.6327 1.6327 1.9780 1.9780 2.1982 2.1982 2.8606 2.8606 3.2028 3.2028 4.6828 4.6828 4.7896 4.7896 5.0565 5.0565 5.2703 5.2703 5.4894 5.4894 5.6717 5.6717 5.9571 5.9571 6.0156 6.0156 6.4113 6.4113 6.5300 6.5300 6.7616 6.7616 9.9225 9.9225 12.4277 12.4277 14.3262 14.3262 14.9477 14.9477 17.0486 17.0486 17.4217 17.4217 k = 0.1447 0.0836-0.0000 ( 3575 PWs) bands (ev): -14.2585 -14.2585 -11.3107 -11.3107 -11.0927 -11.0927 -10.7513 -10.7513 -9.6566 -9.6566 -9.6277 -9.6277 -4.5082 -4.5082 -0.7957 -0.7957 0.0726 0.0726 0.1523 0.1523 0.4609 0.4609 1.2043 1.2043 1.3098 1.3098 1.6279 1.6279 1.9936 1.9936 2.2498 2.2498 2.8049 2.8049 3.1857 3.1857 4.6298 4.6298 4.7444 4.7444 5.0719 5.0719 5.3132 5.3132 5.4605 5.4605 5.6982 5.6982 5.9376 5.9376 5.9793 5.9793 6.4158 6.4158 6.5263 6.5263 6.7737 6.7737 10.0126 10.0126 12.4402 12.4402 14.2905 14.2905 15.0019 15.0019 17.0082 17.0082 17.4158 17.4158 k = 0.1579 0.0912-0.0000 ( 3579 PWs) bands (ev): -14.2389 -14.2389 -11.3559 -11.3559 -11.0997 -11.0997 -10.7398 -10.7398 -9.6630 -9.6630 -9.6291 -9.6291 -4.4528 -4.4528 -0.7990 -0.7990 0.0927 0.0927 0.1704 0.1704 0.4565 0.4565 1.1937 1.1937 1.3092 1.3092 1.6238 1.6238 2.0079 2.0079 2.2994 2.2994 2.7522 2.7522 3.1671 3.1671 4.5724 4.5724 4.6947 4.6947 5.0928 5.0928 5.3517 5.3517 5.4228 5.4228 5.7263 5.7263 5.9252 5.9252 5.9472 5.9472 6.4215 6.4215 6.5215 6.5215 6.7839 6.7839 10.1064 10.1064 12.4532 12.4532 14.2529 14.2529 15.0590 15.0590 16.9614 16.9614 17.4074 17.4074 k = 0.1711 0.0988-0.0000 ( 3583 PWs) bands (ev): -14.2178 -14.2178 -11.4036 -11.4036 -11.1069 -11.1069 -10.7277 -10.7277 -9.6700 -9.6700 -9.6307 -9.6307 -4.3940 -4.3940 -0.8031 -0.8031 0.1139 0.1139 0.1888 0.1888 0.4554 0.4554 1.1832 1.1832 1.3092 1.3092 1.6201 1.6201 2.0207 2.0207 2.3426 2.3426 2.7070 2.7070 3.1466 3.1466 4.5115 4.5115 4.6421 4.6421 5.1176 5.1176 5.3632 5.3632 5.3975 5.3975 5.7571 5.7571 5.9131 5.9131 5.9264 5.9264 6.4281 6.4281 6.5156 6.5156 6.7924 6.7924 10.2033 10.2033 12.4665 12.4665 14.2137 14.2137 15.1183 15.1183 16.9087 16.9087 17.3879 17.3879 k = 0.1842 0.1064-0.0000 ( 3587 PWs) bands (ev): -14.1951 -14.1951 -11.4537 -11.4537 -11.1142 -11.1142 -10.7150 -10.7150 -9.6776 -9.6776 -9.6325 -9.6325 -4.3322 -4.3322 -0.8080 -0.8080 0.1360 0.1360 0.2071 0.2071 0.4585 0.4585 1.1730 1.1730 1.3096 1.3096 1.6168 1.6168 2.0318 2.0318 2.3720 2.3720 2.6769 2.6769 3.1243 3.1243 4.4482 4.4482 4.5879 4.5879 5.1451 5.1451 5.3181 5.3181 5.4135 5.4135 5.7900 5.7900 5.8966 5.8966 5.9228 5.9228 6.4357 6.4357 6.5087 6.5087 6.7991 6.7991 10.3026 10.3026 12.4799 12.4799 14.1734 14.1734 15.1791 15.1791 16.8508 16.8508 17.3427 17.3427 k = 0.1974 0.1140-0.0000 ( 3597 PWs) bands (ev): -14.1708 -14.1708 -11.5058 -11.5058 -11.1216 -11.1216 -10.7017 -10.7017 -9.6859 -9.6859 -9.6345 -9.6345 -4.2676 -4.2676 -0.8137 -0.8137 0.1586 0.1586 0.2250 0.2250 0.4663 0.4663 1.1635 1.1635 1.3103 1.3103 1.6138 1.6138 2.0409 2.0409 2.3778 2.3778 2.6712 2.6712 3.0999 3.0999 4.3830 4.3830 4.5330 4.5330 5.1739 5.1739 5.2655 5.2655 5.4230 5.4230 5.8176 5.8176 5.8942 5.8942 5.9248 5.9248 6.4440 6.4440 6.5009 6.5009 6.8044 6.8044 10.4038 10.4038 12.4933 12.4933 14.1322 14.1322 15.2409 15.2409 16.7884 16.7884 17.2720 17.2720 k = 0.2105 0.1215-0.0000 ( 3595 PWs) bands (ev): -14.1451 -14.1451 -11.5598 -11.5598 -11.1290 -11.1290 -10.6878 -10.6878 -9.6947 -9.6947 -9.6366 -9.6366 -4.2006 -4.2006 -0.8203 -0.8203 0.1812 0.1812 0.2426 0.2426 0.4794 0.4794 1.1548 1.1548 1.3111 1.3111 1.6110 1.6110 2.0478 2.0478 2.3584 2.3584 2.6918 2.6918 3.0734 3.0734 4.3167 4.3167 4.4779 4.4779 5.1894 5.1894 5.2265 5.2265 5.4213 5.4213 5.8259 5.8259 5.9174 5.9174 5.9331 5.9331 6.4529 6.4529 6.4923 6.4923 6.8082 6.8082 10.5064 10.5064 12.5065 12.5065 14.0904 14.0904 15.3030 15.3030 16.7222 16.7222 17.1901 17.1901 k = 0.2237 0.1291-0.0000 ( 3595 PWs) bands (ev): -14.1179 -14.1179 -11.6153 -11.6153 -11.1364 -11.1364 -10.6734 -10.6734 -9.7041 -9.7041 -9.6389 -9.6389 -4.1315 -4.1315 -0.8279 -0.8279 0.2030 0.2030 0.2601 0.2601 0.4979 0.4979 1.1473 1.1473 1.3117 1.3117 1.6084 1.6084 2.0522 2.0522 2.3222 2.3222 2.7296 2.7296 3.0449 3.0449 4.2502 4.2502 4.4232 4.4232 5.1457 5.1457 5.2482 5.2482 5.4100 5.4100 5.8220 5.8220 5.9295 5.9295 5.9738 5.9738 6.4623 6.4623 6.4829 6.4829 6.8108 6.8108 10.6099 10.6099 12.5192 12.5192 14.0484 14.0484 15.3644 15.3644 16.6532 16.6532 17.1051 17.1051 k = 0.2368 0.1367-0.0000 ( 3593 PWs) bands (ev): -14.0893 -14.0893 -11.6721 -11.6721 -11.1438 -11.1438 -10.6586 -10.6586 -9.7141 -9.7141 -9.6413 -9.6413 -4.0607 -4.0607 -0.8364 -0.8364 0.2232 0.2232 0.2785 0.2785 0.5216 0.5216 1.1411 1.1411 1.3120 1.3120 1.6058 1.6058 2.0536 2.0536 2.2789 2.2789 2.7747 2.7747 3.0146 3.0146 4.1844 4.1844 4.3694 4.3694 5.0920 5.0920 5.2824 5.2824 5.3914 5.3914 5.8154 5.8154 5.9349 5.9349 6.0297 6.0297 6.4706 6.4706 6.4745 6.4745 6.8123 6.8123 10.7139 10.7139 12.5314 12.5314 14.0065 14.0065 15.4246 15.4246 16.5820 16.5820 17.0200 17.0200 k = 0.2500 0.1443-0.0000 ( 3597 PWs) bands (ev): -14.0593 -14.0593 -11.7301 -11.7301 -11.1511 -11.1511 -10.6434 -10.6434 -9.7246 -9.7246 -9.6438 -9.6438 -3.9885 -3.9885 -0.8459 -0.8459 0.2411 0.2411 0.2985 0.2985 0.5500 0.5500 1.1364 1.1364 1.3117 1.3117 1.6032 1.6032 2.0513 2.0513 2.2341 2.2341 2.8205 2.8205 2.9830 2.9830 4.1207 4.1207 4.3169 4.3169 5.0389 5.0389 5.3187 5.3187 5.3682 5.3682 5.8082 5.8082 5.9397 5.9397 6.0897 6.0897 6.4614 6.4614 6.4831 6.4831 6.8129 6.8129 10.8180 10.8180 12.5427 12.5427 13.9648 13.9648 15.4826 15.4826 16.5094 16.5094 16.9366 16.9366 k = 0.2632 0.1519-0.0000 ( 3597 PWs) bands (ev): -14.0281 -14.0281 -11.7888 -11.7888 -11.1582 -11.1582 -10.6278 -10.6278 -9.7356 -9.7356 -9.6464 -9.6464 -3.9154 -3.9154 -0.8563 -0.8563 0.2570 0.2570 0.3203 0.3203 0.5825 0.5825 1.1333 1.1333 1.3106 1.3106 1.6007 1.6007 2.0443 2.0443 2.1918 2.1918 2.8609 2.8609 2.9523 2.9523 4.0608 4.0608 4.2662 4.2662 4.9878 4.9878 5.3404 5.3404 5.3579 5.3579 5.8003 5.8003 5.9440 5.9440 6.1511 6.1511 6.4498 6.4498 6.4936 6.4936 6.8126 6.8126 10.9218 10.9218 12.5531 12.5531 13.9238 13.9238 15.5376 15.5376 16.4361 16.4361 16.8557 16.8557 k = 0.2763 0.1595-0.0000 ( 3589 PWs) bands (ev): -13.9957 -13.9957 -11.8482 -11.8482 -11.1652 -11.1652 -10.6119 -10.6119 -9.7470 -9.7470 -9.6490 -9.6490 -3.8416 -3.8416 -0.8677 -0.8677 0.2716 0.2716 0.3433 0.3433 0.6184 0.6184 1.1318 1.1318 1.3085 1.3085 1.5984 1.5984 2.0313 2.0313 2.1549 2.1549 2.8793 2.8793 2.9361 2.9361 4.0065 4.0065 4.2177 4.2177 4.9393 4.9393 5.3132 5.3132 5.3958 5.3958 5.7914 5.7914 5.9478 5.9478 6.2126 6.2126 6.4376 6.4376 6.5045 6.5045 6.8118 6.8118 11.0251 11.0251 12.5624 12.5624 13.8835 13.8835 15.5887 15.5887 16.3627 16.3627 16.7782 16.7782 k = 0.2895 0.1671-0.0000 ( 3591 PWs) bands (ev): -13.9621 -13.9621 -11.9078 -11.9078 -11.1720 -11.1720 -10.5959 -10.5959 -9.7589 -9.7589 -9.6517 -9.6517 -3.7677 -3.7677 -0.8801 -0.8801 0.2857 0.2857 0.3668 0.3668 0.6570 0.6570 1.1319 1.1319 1.3052 1.3052 1.5962 1.5962 2.0112 2.0112 2.1255 2.1255 2.8569 2.8569 2.9503 2.9503 3.9604 3.9604 4.1715 4.1715 4.8935 4.8935 5.2847 5.2847 5.4350 5.4350 5.7812 5.7812 5.9510 5.9510 6.2729 6.2729 6.4247 6.4247 6.5157 6.5157 6.8105 6.8105 11.1273 11.1273 12.5705 12.5705 13.8441 13.8441 15.6351 15.6351 16.2898 16.2898 16.7049 16.7049 k = 0.3026 0.1747-0.0000 ( 3597 PWs) bands (ev): -13.9276 -13.9276 -11.9676 -11.9676 -11.1786 -11.1786 -10.5797 -10.5797 -9.7711 -9.7711 -9.6543 -9.6543 -3.6941 -3.6941 -0.8933 -0.8933 0.3001 0.3001 0.3901 0.3901 0.6977 0.6977 1.1334 1.1334 1.3006 1.3006 1.5943 1.5943 1.9856 1.9856 2.1028 2.1028 2.8207 2.8207 2.9653 2.9653 3.9250 3.9250 4.1281 4.1281 4.8507 4.8507 5.2563 5.2563 5.4746 5.4746 5.7695 5.7695 5.9535 5.9535 6.3309 6.3309 6.4117 6.4117 6.5272 6.5272 6.8089 6.8089 11.2283 11.2283 12.5771 12.5771 13.8059 13.8059 15.6757 15.6757 16.2181 16.2181 16.6365 16.6365 k = 0.3158 0.1823-0.0000 ( 3597 PWs) bands (ev): -13.8922 -13.8922 -12.0272 -12.0272 -11.1849 -11.1849 -10.5634 -10.5634 -9.7836 -9.7836 -9.6570 -9.6570 -3.6211 -3.6211 -0.9073 -0.9073 0.3153 0.3153 0.4127 0.4127 0.7397 0.7397 1.1358 1.1358 1.2953 1.2953 1.5933 1.5933 1.9577 1.9577 2.0845 2.0845 2.7811 2.7811 2.9686 2.9686 3.9025 3.9025 4.0875 4.0875 4.8110 4.8110 5.2284 5.2284 5.5144 5.5144 5.7562 5.7562 5.9554 5.9554 6.3802 6.3802 6.4038 6.4038 6.5391 6.5391 6.8073 6.8073 11.3276 11.3276 12.5823 12.5823 13.7689 13.7689 15.7096 15.7096 16.1482 16.1482 16.5737 16.5737 k = 0.3289 0.1899-0.0000 ( 3609 PWs) bands (ev): -13.8560 -13.8560 -12.0864 -12.0864 -11.1909 -11.1909 -10.5472 -10.5472 -9.7963 -9.7963 -9.6596 -9.6596 -3.5493 -3.5493 -0.9219 -0.9219 0.3316 0.3316 0.4341 0.4341 0.7824 0.7824 1.1380 1.1380 1.2902 1.2902 1.5933 1.5933 1.9302 1.9302 2.0680 2.0680 2.7403 2.7403 2.9570 2.9570 3.8941 3.8941 4.0499 4.0499 4.7744 4.7744 5.2015 5.2015 5.5542 5.5542 5.7415 5.7415 5.9567 5.9567 6.3785 6.3785 6.4422 6.4422 6.5523 6.5523 6.8058 6.8058 11.4250 11.4250 12.5860 12.5860 13.7332 13.7332 15.7359 15.7359 16.0809 16.0809 16.5173 16.5173 k = 0.3421 0.1975-0.0000 ( 3609 PWs) bands (ev): -13.8193 -13.8193 -12.1449 -12.1449 -11.1966 -11.1966 -10.5311 -10.5311 -9.8090 -9.8090 -9.6621 -9.6621 -3.4792 -3.4792 -0.9372 -0.9372 0.3491 0.3491 0.4541 0.4541 0.8248 0.8248 1.1383 1.1383 1.2871 1.2871 1.5948 1.5948 1.9050 1.9050 2.0519 2.0519 2.6991 2.6991 2.9306 2.9306 3.8992 3.8992 4.0155 4.0155 4.7410 4.7410 5.1758 5.1758 5.5937 5.5937 5.7253 5.7253 5.9574 5.9574 6.3638 6.3638 6.4867 6.4867 6.5681 6.5681 6.8048 6.8048 11.5200 11.5200 12.5880 12.5880 13.6989 13.6989 15.7537 15.7537 16.0171 16.0171 16.4681 16.4681 k = 0.3553 0.2051-0.0000 ( 3605 PWs) bands (ev): -13.7823 -13.7823 -12.2022 -12.2022 -11.2020 -11.2020 -10.5152 -10.5152 -9.8218 -9.8218 -9.6645 -9.6645 -3.4113 -3.4113 -0.9529 -0.9529 0.3680 0.3680 0.4725 0.4725 0.8659 0.8659 1.1347 1.1347 1.2886 1.2886 1.5981 1.5981 1.8830 1.8830 2.0356 2.0356 2.6582 2.6582 2.8909 2.8909 3.9156 3.9156 3.9847 3.9847 4.7107 4.7107 5.1515 5.1515 5.6327 5.6327 5.7080 5.7080 5.9577 5.9577 6.3477 6.3477 6.5218 6.5218 6.5896 6.5896 6.8045 6.8045 11.6124 11.6124 12.5883 12.5883 13.6661 13.6661 15.7619 15.7619 15.9581 15.9581 16.4265 16.4265 k = 0.3684 0.2127-0.0000 ( 3601 PWs) bands (ev): -13.7453 -13.7453 -12.2582 -12.2582 -11.2069 -11.2069 -10.4998 -10.4998 -9.8344 -9.8344 -9.6668 -9.6668 -3.3462 -3.3462 -0.9688 -0.9688 0.3882 0.3882 0.4891 0.4891 0.9038 0.9038 1.1264 1.1264 1.2968 1.2968 1.6035 1.6035 1.8643 1.8643 2.0191 2.0191 2.6180 2.6180 2.8405 2.8405 3.9369 3.9369 3.9613 3.9613 4.6834 4.6834 5.1287 5.1287 5.6705 5.6705 5.6903 5.6903 5.9576 5.9576 6.3309 6.3309 6.5452 6.5452 6.6180 6.6180 6.8056 6.8056 11.7016 11.7016 12.5870 12.5870 13.6349 13.6349 15.7594 15.7594 15.9057 15.9057 16.3925 16.3925 k = 0.3816 0.2203-0.0000 ( 3600 PWs) bands (ev): -13.7085 -13.7085 -12.3123 -12.3123 -11.2115 -11.2115 -10.4849 -10.4849 -9.8467 -9.8467 -9.6689 -9.6689 -3.2845 -3.2845 -0.9847 -0.9847 0.4096 0.4096 0.5039 0.5039 0.9362 0.9362 1.1148 1.1148 1.3122 1.3122 1.6111 1.6111 1.8486 1.8486 2.0027 2.0027 2.5788 2.5788 2.7824 2.7824 3.9267 3.9267 3.9785 3.9785 4.6591 4.6591 5.1075 5.1075 5.6700 5.6700 5.7093 5.7093 5.9571 5.9571 6.3135 6.3135 6.5602 6.5602 6.6486 6.6486 6.8087 6.8087 11.7872 11.7872 12.5838 12.5838 13.6052 13.6052 15.7449 15.7449 15.8624 15.8624 16.3659 16.3659 k = 0.3947 0.2279-0.0000 ( 3596 PWs) bands (ev): -13.6724 -13.6724 -12.3641 -12.3641 -11.2156 -11.2156 -10.4708 -10.4708 -9.8585 -9.8585 -9.6709 -9.6709 -3.2268 -3.2268 -1.0003 -1.0003 0.4320 0.4320 0.5172 0.5172 0.9588 0.9588 1.1045 1.1045 1.3339 1.3339 1.6209 1.6209 1.8356 1.8356 1.9874 1.9874 2.5407 2.5407 2.7195 2.7195 3.9055 3.9055 4.0131 4.0131 4.6376 4.6376 5.0881 5.0881 5.6510 5.6510 5.7454 5.7454 5.9563 5.9563 6.2956 6.2956 6.5711 6.5711 6.6761 6.6761 6.8147 6.8147 11.8689 11.8689 12.5788 12.5788 13.5773 13.5773 15.7192 15.7192 15.8293 15.8293 16.3459 16.3459 k = 0.4079 0.2355-0.0000 ( 3592 PWs) bands (ev): -13.6376 -13.6376 -12.4130 -12.4130 -11.2193 -11.2193 -10.4575 -10.4575 -9.8697 -9.8697 -9.6727 -9.6727 -3.1737 -3.1737 -1.0154 -1.0154 0.4550 0.4550 0.5293 0.5293 0.9660 0.9660 1.1022 1.1022 1.3603 1.3603 1.6325 1.6325 1.8244 1.8244 1.9745 1.9745 2.5033 2.5033 2.6547 2.6547 3.8864 3.8864 4.0498 4.0498 4.6190 4.6190 5.0704 5.0704 5.6321 5.6321 5.7803 5.7803 5.9554 5.9554 6.2774 6.2774 6.5797 6.5797 6.6978 6.6978 6.8242 6.8242 11.9459 11.9459 12.5719 12.5719 13.5513 13.5513 15.6866 15.6866 15.8039 15.8039 16.3314 16.3314 k = 0.4211 0.2431-0.0000 ( 3600 PWs) bands (ev): -13.6046 -13.6046 -12.4582 -12.4582 -11.2226 -11.2226 -10.4454 -10.4454 -9.8801 -9.8801 -9.6743 -9.6743 -3.1259 -3.1259 -1.0295 -1.0295 0.4775 0.4775 0.5408 0.5408 0.9564 0.9564 1.1101 1.1101 1.3898 1.3898 1.6453 1.6453 1.8137 1.8137 1.9664 1.9664 2.4650 2.4650 2.5919 2.5919 3.8698 3.8698 4.0860 4.0860 4.6030 4.6030 5.0546 5.0546 5.6140 5.6140 5.8134 5.8134 5.9544 5.9544 6.2591 6.2591 6.5867 6.5867 6.7129 6.7129 6.8370 6.8370 12.0177 12.0177 12.5631 12.5631 13.5275 13.5275 15.6526 15.6526 15.7830 15.7830 16.3212 16.3212 k = 0.4342 0.2507-0.0000 ( 3606 PWs) bands (ev): -13.5741 -13.5741 -12.4991 -12.4991 -11.2253 -11.2253 -10.4346 -10.4346 -9.8894 -9.8894 -9.6757 -9.6757 -3.0840 -3.0840 -1.0424 -1.0424 0.4982 0.4982 0.5530 0.5530 0.9356 0.9356 1.1238 1.1238 1.4205 1.4205 1.6585 1.6585 1.8021 1.8021 1.9660 1.9660 2.4222 2.4222 2.5364 2.5364 3.8559 3.8559 4.1197 4.1197 4.5897 4.5897 5.0408 5.0408 5.5972 5.5972 5.8442 5.8442 5.9533 5.9533 6.2410 6.2410 6.5925 6.5925 6.7225 6.7225 6.8515 6.8515 12.0835 12.0835 12.5525 12.5525 13.5062 13.5062 15.6208 15.6208 15.7650 15.7650 16.3141 16.3141 k = 0.4474 0.2583-0.0000 ( 3602 PWs) bands (ev): -13.5472 -13.5472 -12.5347 -12.5347 -11.2276 -11.2276 -10.4254 -10.4254 -9.8974 -9.8974 -9.6768 -9.6768 -3.0487 -3.0487 -1.0535 -1.0535 0.5150 0.5150 0.5675 0.5675 0.9101 0.9101 1.1382 1.1382 1.4508 1.4508 1.6713 1.6713 1.7884 1.7884 1.9762 1.9762 2.3711 2.3711 2.4938 2.4938 3.8447 3.8447 4.1496 4.1496 4.5789 4.5789 5.0292 5.0292 5.5824 5.5824 5.8721 5.8721 5.9523 5.9523 6.2237 6.2237 6.5972 6.5972 6.7283 6.7283 6.8658 6.8658 12.1423 12.1423 12.5403 12.5403 13.4879 13.4879 15.5933 15.5933 15.7495 15.7495 16.3094 16.3094 k = 0.4605 0.2659-0.0000 ( 3602 PWs) bands (ev): -13.5247 -13.5247 -12.5640 -12.5640 -11.2294 -11.2294 -10.4179 -10.4179 -9.9039 -9.9039 -9.6777 -9.6777 -3.0206 -3.0206 -1.0626 -1.0626 0.5265 0.5265 0.5844 0.5844 0.8841 0.8841 1.1506 1.1506 1.4784 1.4784 1.6829 1.6829 1.7724 1.7724 1.9981 1.9981 2.3126 2.3126 2.4647 2.4647 3.8360 3.8360 4.1743 4.1743 4.5705 4.5705 5.0199 5.0199 5.5701 5.5701 5.8962 5.8962 5.9514 5.9514 6.2081 6.2081 6.6008 6.6008 6.7315 6.7315 6.8782 6.8782 12.1928 12.1928 12.5270 12.5270 13.4730 13.4730 15.5711 15.5711 15.7369 15.7369 16.3063 16.3063 k = 0.4737 0.2735-0.0000 ( 3604 PWs) bands (ev): -13.5076 -13.5076 -12.5858 -12.5858 -11.2307 -11.2307 -10.4124 -10.4124 -9.9087 -9.9087 -9.6784 -9.6784 -3.0001 -3.0001 -1.0694 -1.0694 0.5334 0.5334 0.6015 0.6015 0.8610 0.8610 1.1600 1.1600 1.5011 1.5011 1.6936 1.6936 1.7553 1.7553 2.0311 2.0311 2.2514 2.2514 2.4462 2.4462 3.8299 3.8299 4.1928 4.1928 4.5646 4.5646 5.0131 5.0131 5.5609 5.5609 5.9154 5.9154 5.9505 5.9505 6.1952 6.1952 6.6034 6.6034 6.7334 6.7334 6.8878 6.8878 12.2329 12.2329 12.5142 12.5142 13.4619 13.4619 15.5548 15.5548 15.7275 15.7275 16.3044 16.3044 k = 0.4868 0.2811-0.0000 ( 3604 PWs) bands (ev): -13.4970 -13.4970 -12.5994 -12.5994 -11.2315 -11.2315 -10.4091 -10.4091 -9.9117 -9.9117 -9.6787 -9.6787 -2.9877 -2.9877 -1.0736 -1.0736 0.5370 0.5370 0.6146 0.6146 0.8446 0.8446 1.1657 1.1657 1.5164 1.5164 1.7037 1.7037 1.7395 1.7395 2.0725 2.0725 2.1926 2.1926 2.4358 2.4358 3.8262 3.8262 4.2043 4.2043 4.5611 4.5611 5.0089 5.0089 5.5552 5.5552 5.9282 5.9282 5.9496 5.9496 6.1865 6.1865 6.6049 6.6049 6.7343 6.7343 6.8937 6.8937 12.2595 12.2595 12.5042 12.5042 13.4551 13.4551 15.5450 15.5450 15.7218 15.7218 16.3033 16.3033 k = 0.5000 0.2887-0.0000 ( 3604 PWs) bands (ev): -13.4933 -13.4933 -12.6040 -12.6040 -11.2317 -11.2317 -10.4079 -10.4079 -9.9127 -9.9127 -9.6789 -9.6789 -2.9835 -2.9835 -1.0750 -1.0750 0.5381 0.5381 0.6196 0.6196 0.8386 0.8386 1.1676 1.1676 1.5218 1.5218 1.7099 1.7099 1.7310 1.7310 2.1052 2.1052 2.1541 2.1541 2.4324 2.4324 3.8250 3.8250 4.2082 4.2082 4.5599 4.5599 5.0075 5.0075 5.5532 5.5532 5.9328 5.9328 5.9491 5.9491 6.1834 6.1834 6.6055 6.6055 6.7345 6.7345 6.8957 6.8957 12.2689 12.2689 12.5003 12.5003 13.4528 13.4528 15.5416 15.5416 15.7198 15.7198 16.3030 16.3030 k = 0.5000 0.2887-0.0000 ( 3604 PWs) bands (ev): -13.4933 -13.4933 -12.6040 -12.6040 -11.2317 -11.2317 -10.4079 -10.4079 -9.9127 -9.9127 -9.6789 -9.6789 -2.9835 -2.9835 -1.0750 -1.0750 0.5381 0.5381 0.6196 0.6196 0.8386 0.8386 1.1676 1.1676 1.5218 1.5218 1.7099 1.7099 1.7310 1.7310 2.1052 2.1052 2.1541 2.1541 2.4324 2.4324 3.8250 3.8250 4.2082 4.2082 4.5599 4.5599 5.0075 5.0075 5.5532 5.5532 5.9328 5.9328 5.9491 5.9491 6.1834 6.1834 6.6055 6.6055 6.7345 6.7345 6.8957 6.8957 12.2689 12.2689 12.5003 12.5003 13.4528 13.4528 15.5416 15.5416 15.7198 15.7198 16.3030 16.3030 k = 0.4924 0.3018-0.0000 ( 3608 PWs) bands (ev): -13.4924 -13.4924 -12.6048 -12.6048 -11.2326 -11.2326 -10.4075 -10.4075 -9.9141 -9.9141 -9.6776 -9.6776 -2.9811 -2.9811 -1.0775 -1.0775 0.5277 0.5277 0.6316 0.6316 0.8377 0.8377 1.1677 1.1677 1.5215 1.5215 1.7081 1.7081 1.7361 1.7361 2.1033 2.1033 2.1538 2.1538 2.4341 2.4341 3.8232 3.8232 4.1940 4.1940 4.5724 4.5724 5.0053 5.0053 5.5512 5.5512 5.9317 5.9317 5.9550 5.9550 6.1846 6.1846 6.6052 6.6052 6.7340 6.7340 6.8957 6.8957 12.2694 12.2694 12.5004 12.5004 13.4531 13.4531 15.5322 15.5322 15.7146 15.7146 16.3172 16.3172 k = 0.4848 0.3149-0.0000 ( 3608 PWs) bands (ev): -13.4895 -13.4895 -12.6072 -12.6072 -11.2352 -11.2352 -10.4061 -10.4061 -9.9184 -9.9184 -9.6737 -9.6737 -2.9740 -2.9740 -1.0849 -1.0849 0.5061 0.5061 0.6579 0.6579 0.8355 0.8355 1.1679 1.1679 1.5207 1.5207 1.7053 1.7053 1.7486 1.7486 2.0976 2.0976 2.1535 2.1535 2.4392 2.4392 3.8182 3.8182 4.1562 4.1562 4.6052 4.6052 4.9988 4.9988 5.5456 5.5456 5.9284 5.9284 5.9716 5.9716 6.1881 6.1881 6.6045 6.6045 6.7325 6.7325 6.8959 6.8959 12.2708 12.2708 12.5008 12.5008 13.4542 13.4542 15.5050 15.5050 15.7006 15.7006 16.3572 16.3572 k = 0.4773 0.3280-0.0000 ( 3604 PWs) bands (ev): -13.4847 -13.4847 -12.6112 -12.6112 -11.2393 -11.2393 -10.4038 -10.4038 -9.9251 -9.9251 -9.6677 -9.6677 -2.9622 -2.9622 -1.0973 -1.0973 0.4822 0.4822 0.6886 0.6886 0.8326 0.8326 1.1686 1.1686 1.5196 1.5196 1.7033 1.7033 1.7661 1.7661 2.0883 2.0883 2.1536 2.1536 2.4468 2.4468 3.8098 3.8098 4.1034 4.1034 4.6498 4.6498 4.9882 4.9882 5.5382 5.5382 5.9231 5.9231 5.9973 5.9973 6.1941 6.1941 6.6032 6.6032 6.7300 6.7300 6.8962 6.8962 12.2732 12.2732 12.5015 12.5015 13.4559 13.4559 15.4634 15.4634 15.6805 15.6805 16.4172 16.4172 k = 0.4697 0.3412-0.0000 ( 3600 PWs) bands (ev): -13.4780 -13.4780 -12.6169 -12.6169 -11.2451 -11.2451 -10.4006 -10.4006 -9.9339 -9.9339 -9.6600 -9.6600 -2.9458 -2.9458 -1.1144 -1.1144 0.4591 0.4591 0.7186 0.7186 0.8315 0.8315 1.1698 1.1698 1.5185 1.5185 1.7023 1.7023 1.7874 1.7874 2.0759 2.0759 2.1547 2.1547 2.4562 2.4562 3.7983 3.7983 4.0415 4.0415 4.7000 4.7000 4.9736 4.9736 5.5306 5.5306 5.9158 5.9158 6.0296 6.0296 6.2026 6.2026 6.6015 6.6015 6.7264 6.7264 6.8965 6.8965 12.2764 12.2764 12.5023 12.5023 13.4583 13.4583 15.4118 15.4118 15.6560 15.6560 16.4911 16.4911 k = 0.4621 0.3543-0.0000 ( 3598 PWs) bands (ev): -13.4694 -13.4694 -12.6243 -12.6243 -11.2522 -11.2522 -10.3965 -10.3965 -9.9444 -9.9444 -9.6509 -9.6509 -2.9247 -2.9247 -1.1361 -1.1361 0.4375 0.4375 0.7414 0.7414 0.8374 0.8374 1.1719 1.1719 1.5175 1.5175 1.7022 1.7022 1.8118 1.8118 2.0613 2.0613 2.1572 2.1572 2.4666 2.4666 3.7838 3.7838 3.9740 3.9740 4.7527 4.7527 4.9555 4.9555 5.5244 5.5244 5.9066 5.9066 6.0663 6.0663 6.2140 6.2140 6.5992 6.5992 6.7216 6.7216 6.8967 6.8967 12.2807 12.2807 12.5034 12.5034 13.4614 13.4614 15.3544 15.3544 15.6277 15.6277 16.5746 16.5746 k = 0.4545 0.3674-0.0000 ( 3594 PWs) bands (ev): -13.4589 -13.4589 -12.6335 -12.6335 -11.2605 -11.2605 -10.3914 -10.3914 -9.9562 -9.9562 -9.6411 -9.6411 -2.8992 -2.8992 -1.1623 -1.1623 0.4180 0.4180 0.7500 0.7500 0.8571 0.8571 1.1750 1.1750 1.5167 1.5167 1.7027 1.7027 1.8381 1.8381 2.0455 2.0455 2.1612 2.1612 2.4771 2.4771 3.7667 3.7667 3.9028 3.9028 4.8058 4.8058 4.9345 4.9345 5.5204 5.5204 5.8958 5.8958 6.1050 6.1050 6.2289 6.2289 6.5965 6.5965 6.7157 6.7157 6.8967 6.8967 12.2858 12.2858 12.5046 12.5046 13.4651 13.4651 15.2946 15.2946 15.5956 15.5956 16.6646 16.6646 k = 0.4470 0.3805-0.0000 ( 3602 PWs) bands (ev): -13.4465 -13.4465 -12.6444 -12.6444 -11.2698 -11.2698 -10.3855 -10.3855 -9.9690 -9.9690 -9.6308 -9.6308 -2.8692 -2.8692 -1.1929 -1.1929 0.4008 0.4008 0.7456 0.7456 0.8888 0.8888 1.1794 1.1794 1.5161 1.5161 1.7037 1.7037 1.8651 1.8651 2.0296 2.0296 2.1673 2.1673 2.4871 2.4871 3.7470 3.7470 3.8291 3.8291 4.8581 4.8581 4.9116 4.9116 5.5191 5.5191 5.8835 5.8835 6.1433 6.1433 6.2483 6.2483 6.5932 6.5932 6.7086 6.7086 6.8963 6.8963 12.2918 12.2918 12.5058 12.5058 13.4693 13.4693 15.2348 15.2348 15.5600 15.5600 16.7591 16.7591 k = 0.4394 0.3936-0.0000 ( 3602 PWs) bands (ev): -13.4323 -13.4323 -12.6572 -12.6572 -11.2799 -11.2799 -10.3787 -10.3787 -9.9825 -9.9825 -9.6203 -9.6203 -2.8350 -2.8350 -1.2275 -1.2275 0.3859 0.3859 0.7342 0.7342 0.9266 0.9266 1.1851 1.1851 1.5158 1.5158 1.7054 1.7054 1.8913 1.8913 2.0149 2.0149 2.1761 2.1761 2.4961 2.4961 3.7230 3.7230 3.7557 3.7557 4.8842 4.8842 4.9120 4.9120 5.5206 5.5206 5.8700 5.8700 6.1787 6.1787 6.2737 6.2737 6.5894 6.5894 6.7004 6.7004 6.8955 6.8955 12.2988 12.2988 12.5071 12.5071 13.4742 13.4742 15.1766 15.1766 15.5210 15.5210 16.8563 16.8564 k = 0.4318 0.4068-0.0000 ( 3598 PWs) bands (ev): -13.4161 -13.4161 -12.6719 -12.6719 -11.2905 -11.2905 -10.3711 -10.3711 -9.9966 -9.9966 -9.6100 -9.6100 -2.7966 -2.7966 -1.2660 -1.2660 0.3734 0.3734 0.7190 0.7190 0.9667 0.9667 1.1925 1.1925 1.5157 1.5157 1.7075 1.7075 1.9141 1.9141 2.0034 2.0034 2.1881 2.1881 2.5035 2.5035 3.6692 3.6692 3.7091 3.7091 4.8595 4.8595 4.9608 4.9608 5.5247 5.5247 5.8554 5.8554 6.2093 6.2093 6.3061 6.3061 6.5852 6.5852 6.6910 6.6910 6.8939 6.8939 12.3065 12.3065 12.5084 12.5084 13.4795 13.4795 15.1213 15.1213 15.4790 15.4790 16.9552 16.9552 k = 0.4242 0.4199-0.0000 ( 3592 PWs) bands (ev): -13.3981 -13.3981 -12.6886 -12.6886 -11.3013 -11.3013 -10.3626 -10.3626 -10.0111 -10.0111 -9.6001 -9.6001 -2.7543 -2.7543 -1.3081 -1.3081 0.3634 0.3634 0.7018 0.7018 1.0070 1.0070 1.2016 1.2016 1.5155 1.5155 1.7100 1.7100 1.9296 1.9296 1.9986 1.9986 2.2043 2.2043 2.5092 2.5092 3.5918 3.5918 3.6836 3.6836 4.8337 4.8337 5.0087 5.0087 5.5311 5.5311 5.8401 5.8401 6.2354 6.2354 6.3441 6.3441 6.5805 6.5805 6.6804 6.6804 6.8916 6.8916 12.3152 12.3152 12.5095 12.5095 13.4853 13.4853 15.0698 15.0698 15.4345 15.4345 17.0543 17.0543 k = 0.4167 0.4330-0.0000 ( 3600 PWs) bands (ev): -13.3782 -13.3782 -12.7073 -12.7073 -11.3123 -11.3123 -10.3533 -10.3533 -10.0259 -10.0259 -9.5907 -9.5907 -2.7082 -2.7082 -1.3537 -1.3537 0.3558 0.3558 0.6832 0.6832 1.0457 1.0457 1.2129 1.2129 1.5151 1.5151 1.7129 1.7129 1.9345 1.9345 2.0033 2.0033 2.2251 2.2251 2.5128 2.5128 3.5117 3.5117 3.6593 3.6593 4.8083 4.8083 5.0544 5.0544 5.5396 5.5396 5.8242 5.8242 6.2589 6.2589 6.3855 6.3855 6.5753 6.5753 6.6688 6.6688 6.8881 6.8881 12.3246 12.3246 12.5103 12.5103 13.4914 13.4914 15.0228 15.0228 15.3880 15.3880 17.1512 17.1512 k = 0.4091 0.4461-0.0000 ( 3608 PWs) bands (ev): -13.3565 -13.3565 -12.7280 -12.7280 -11.3230 -11.3230 -10.3431 -10.3431 -10.0410 -10.0410 -9.5819 -9.5819 -2.6585 -2.6585 -1.4025 -1.4025 0.3506 0.3506 0.6638 0.6638 1.0812 1.0812 1.2270 1.2270 1.5143 1.5143 1.7161 1.7161 1.9321 1.9321 2.0143 2.0143 2.2507 2.2507 2.5144 2.5144 3.4306 3.4306 3.6352 3.6352 4.7838 4.7838 5.0976 5.0976 5.5496 5.5496 5.8079 5.8079 6.2810 6.2810 6.4282 6.4282 6.5696 6.5696 6.6561 6.6561 6.8836 6.8836 12.3348 12.3348 12.5109 12.5109 13.4978 13.4978 14.9808 14.9808 15.3398 15.3398 17.2401 17.2401 k = 0.4015 0.4593-0.0000 ( 3604 PWs) bands (ev): -13.3330 -13.3330 -12.7508 -12.7508 -11.3333 -11.3333 -10.3322 -10.3322 -10.0563 -10.0563 -9.5738 -9.5738 -2.6054 -2.6054 -1.4542 -1.4542 0.3477 0.3477 0.6441 0.6441 1.1120 1.1120 1.2445 1.2445 1.5132 1.5132 1.7196 1.7196 1.9282 1.9282 2.0268 2.0268 2.2808 2.2808 2.5140 2.5140 3.3490 3.3490 3.6117 3.6117 4.7607 4.7607 5.1379 5.1379 5.5611 5.5611 5.7917 5.7917 6.3027 6.3027 6.4708 6.4708 6.5635 6.5635 6.6426 6.6426 6.8777 6.8777 12.3457 12.3457 12.5110 12.5110 13.5043 13.5043 14.9444 14.9444 15.2907 15.2907 17.3049 17.3050 k = 0.3939 0.4724-0.0000 ( 3606 PWs) bands (ev): -13.3077 -13.3077 -12.7757 -12.7757 -11.3429 -11.3429 -10.3205 -10.3205 -10.0719 -10.0719 -9.5666 -9.5666 -2.5492 -2.5492 -1.5086 -1.5086 0.3472 0.3472 0.6243 0.6243 1.1370 1.1370 1.2657 1.2657 1.5115 1.5115 1.7233 1.7233 1.9255 1.9255 2.0386 2.0386 2.3146 2.3146 2.5119 2.5119 3.2672 3.2672 3.5891 3.5891 4.7394 4.7394 5.1752 5.1752 5.5734 5.5734 5.7756 5.7756 6.3243 6.3243 6.5123 6.5123 6.5572 6.5572 6.6283 6.6283 6.8704 6.8704 12.3573 12.3573 12.5105 12.5105 13.5109 13.5109 14.9139 14.9139 15.2411 15.2411 17.3347 17.3348 k = 0.3864 0.4855-0.0000 ( 3606 PWs) bands (ev): -13.2806 -13.2806 -12.8026 -12.8026 -11.3518 -11.3518 -10.3080 -10.3080 -10.0876 -10.0876 -9.5602 -9.5602 -2.4902 -2.4902 -1.5657 -1.5657 0.3488 0.3488 0.6046 0.6046 1.1562 1.1562 1.2895 1.2895 1.5092 1.5092 1.7271 1.7271 1.9250 1.9250 2.0497 2.0497 2.3508 2.3508 2.5084 2.5084 3.1858 3.1858 3.5678 3.5678 4.7202 4.7202 5.2089 5.2089 5.5865 5.5865 5.7599 5.7599 6.3460 6.3460 6.5459 6.5459 6.5567 6.5567 6.6134 6.6134 6.8617 6.8617 12.3694 12.3694 12.5093 12.5093 13.5174 13.5174 14.8896 14.8896 15.1917 15.1917 17.3468 17.3468 k = 0.3788 0.4986-0.0000 ( 3606 PWs) bands (ev): -13.2517 -13.2517 -12.8315 -12.8315 -11.3597 -11.3597 -10.2949 -10.2949 -10.1034 -10.1034 -9.5547 -9.5547 -2.4285 -2.4285 -1.6250 -1.6250 0.3523 0.3523 0.5853 0.5853 1.1707 1.1707 1.3138 1.3138 1.5064 1.5064 1.7309 1.7309 1.9272 1.9272 2.0603 2.0603 2.3885 2.3885 2.5043 2.5043 3.1054 3.1054 3.5483 3.5483 4.7033 4.7033 5.2390 5.2390 5.6000 5.6000 5.7449 5.7449 6.3678 6.3678 6.5416 6.5416 6.5918 6.5918 6.5981 6.5981 6.8515 6.8515 12.3820 12.3820 12.5072 12.5072 13.5235 13.5235 14.8718 14.8718 15.1431 15.1431 17.3528 17.3528 k = 0.3712 0.5117-0.0000 ( 3610 PWs) bands (ev): -13.2211 -13.2211 -12.8624 -12.8624 -11.3665 -11.3665 -10.2810 -10.2810 -10.1195 -10.1195 -9.5502 -9.5502 -2.3645 -2.3645 -1.6865 -1.6865 0.3577 0.3577 0.5667 0.5667 1.1817 1.1817 1.3368 1.3368 1.5031 1.5031 1.7346 1.7346 1.9317 1.9317 2.0708 2.0708 2.4263 2.4263 2.5005 2.5005 3.0268 3.0268 3.5309 3.5309 4.6888 4.6888 5.2649 5.2649 5.6135 5.6135 5.7307 5.7307 6.3896 6.3896 6.5340 6.5340 6.5826 6.5826 6.6274 6.6274 6.8399 6.8399 12.3950 12.3950 12.5040 12.5040 13.5292 13.5292 14.8607 14.8607 15.0961 15.0961 17.3562 17.3562 k = 0.3636 0.5249-0.0000 ( 3618 PWs) bands (ev): -13.1888 -13.1888 -12.8952 -12.8952 -11.3722 -11.3722 -10.2665 -10.2665 -10.1357 -10.1357 -9.5465 -9.5465 -2.2986 -2.2986 -1.7501 -1.7501 0.3644 0.3644 0.5492 0.5492 1.1900 1.1900 1.3569 1.3569 1.4996 1.4996 1.7380 1.7380 1.9377 1.9377 2.0813 2.0813 2.4619 2.4619 2.4990 2.4990 2.9515 2.9515 3.5159 3.5159 4.6769 4.6769 5.2864 5.2864 5.6269 5.6269 5.7175 5.7175 6.4113 6.4113 6.5260 6.5260 6.5671 6.5671 6.6605 6.6605 6.8268 6.8268 12.4083 12.4083 12.4995 12.4995 13.5342 13.5342 14.8563 14.8563 15.0511 15.0511 17.3583 17.3583 k = 0.3561 0.5380-0.0000 ( 3614 PWs) bands (ev): -13.1548 -13.1548 -12.9297 -12.9297 -11.3767 -11.3767 -10.2514 -10.2514 -10.1521 -10.1521 -9.5437 -9.5437 -2.2309 -2.2309 -1.8155 -1.8155 0.3719 0.3719 0.5334 0.5334 1.1963 1.1963 1.3730 1.3730 1.4962 1.4962 1.7410 1.7410 1.9444 1.9444 2.0915 2.0915 2.4878 2.4878 2.5067 2.5067 2.8821 2.8821 3.5037 3.5037 4.6676 4.6676 5.3033 5.3033 5.6399 5.6399 5.7053 5.7053 6.4328 6.4328 6.5179 6.5179 6.5520 6.5520 6.6906 6.6906 6.8124 6.8124 12.4219 12.4219 12.4935 12.4935 13.5384 13.5384 14.8588 14.8588 15.0091 15.0091 17.3595 17.3595 k = 0.3485 0.5511-0.0000 ( 3614 PWs) bands (ev): -13.1191 -13.1191 -12.9658 -12.9658 -11.3798 -11.3798 -10.2356 -10.2356 -10.1687 -10.1687 -9.5417 -9.5417 -2.1620 -2.1620 -1.8825 -1.8825 0.3793 0.3793 0.5202 0.5202 1.2008 1.2008 1.3845 1.3845 1.4935 1.4935 1.7433 1.7433 1.9506 1.9506 2.1005 2.1005 2.4972 2.4972 2.5276 2.5276 2.8230 2.8230 3.4945 3.4945 4.6610 4.6610 5.3154 5.3154 5.6522 5.6522 5.6941 5.6941 6.4535 6.4535 6.5099 6.5099 6.5377 6.5377 6.7174 6.7174 6.7967 6.7967 12.4357 12.4357 12.4857 12.4857 13.5415 13.5415 14.8682 14.8682 14.9708 14.9708 17.3603 17.3603 k = 0.3409 0.5642-0.0000 ( 3614 PWs) bands (ev): -13.0819 -13.0819 -13.0034 -13.0034 -11.3817 -11.3817 -10.2193 -10.2193 -10.1855 -10.1855 -9.5406 -9.5406 -2.0920 -2.0920 -1.9512 -1.9512 0.3850 0.3850 0.5110 0.5110 1.2035 1.2035 1.3912 1.3912 1.4917 1.4917 1.7448 1.7448 1.9551 1.9551 2.1070 2.1070 2.5072 2.5072 2.5390 2.5390 2.7825 2.7825 3.4888 3.4888 4.6570 4.6570 5.3226 5.3226 5.6635 5.6635 5.6838 5.6838 6.4717 6.4717 6.5034 6.5034 6.5248 6.5248 6.7407 6.7407 6.7803 6.7803 12.4495 12.4495 12.4757 12.4757 13.5434 13.5434 14.8843 14.8843 14.9368 14.9368 17.3606 17.3606 k = 0.3333 0.5774-0.0000 ( 3612 PWs) bands (ev): -13.0468 -13.0468 -13.0386 -13.0386 -11.3823 -11.3823 -10.2030 -10.2030 -10.2020 -10.2020 -9.5402 -9.5402 -2.0243 -2.0243 -2.0183 -2.0183 0.3873 0.3873 0.5076 0.5076 1.2045 1.2045 1.3933 1.3933 1.4911 1.4911 1.7453 1.7453 1.9568 1.9568 2.1095 2.1095 2.5174 2.5174 2.5355 2.5355 2.7688 2.7688 3.4868 3.4868 4.6557 4.6557 5.3249 5.3249 5.6724 5.6724 5.6753 5.6753 6.4798 6.4798 6.5024 6.5024 6.5172 6.5172 6.7560 6.7560 6.7672 6.7672 12.4631 12.4631 12.4635 12.4635 13.5440 13.5440 14.9044 14.9044 14.9106 14.9106 17.3607 17.3607 k = 0.3333 0.5774-0.0000 ( 3612 PWs) bands (ev): -13.0468 -13.0468 -13.0386 -13.0386 -11.3823 -11.3823 -10.2030 -10.2030 -10.2020 -10.2020 -9.5402 -9.5402 -2.0243 -2.0243 -2.0183 -2.0183 0.3873 0.3873 0.5076 0.5076 1.2045 1.2045 1.3933 1.3933 1.4911 1.4911 1.7453 1.7453 1.9568 1.9568 2.1095 2.1095 2.5174 2.5174 2.5355 2.5355 2.7688 2.7688 3.4868 3.4868 4.6557 4.6557 5.3249 5.3249 5.6724 5.6724 5.6753 5.6753 6.4798 6.4798 6.5024 6.5024 6.5172 6.5172 6.7560 6.7560 6.7672 6.7672 12.4631 12.4631 12.4635 12.4635 13.5440 13.5440 14.9044 14.9044 14.9106 14.9106 17.3607 17.3607 k = 0.3258 0.5642-0.0000 ( 3614 PWs) bands (ev): -13.0832 -13.0832 -13.0020 -13.0020 -11.3817 -11.3817 -10.2197 -10.2197 -10.1852 -10.1852 -9.5406 -9.5406 -2.0928 -2.0928 -1.9504 -1.9504 0.3848 0.3848 0.5111 0.5111 1.2034 1.2034 1.3915 1.3915 1.4917 1.4917 1.7448 1.7448 1.9546 1.9546 2.1067 2.1067 2.4987 2.4987 2.5514 2.5514 2.7794 2.7794 3.4889 3.4889 4.6570 4.6570 5.3226 5.3226 5.6643 5.6643 5.6828 5.6828 6.4753 6.4753 6.4971 6.4971 6.5276 6.5276 6.7420 6.7420 6.7789 6.7789 12.4481 12.4481 12.4770 12.4770 13.5434 13.5434 14.8839 14.8839 14.9373 14.9373 17.3606 17.3606 k = 0.3182 0.5511-0.0000 ( 3612 PWs) bands (ev): -13.1245 -13.1245 -12.9601 -12.9601 -11.3799 -11.3799 -10.2370 -10.2370 -10.1675 -10.1675 -9.5416 -9.5416 -2.1655 -2.1655 -1.8797 -1.8797 0.3777 0.3777 0.5214 0.5214 1.2000 1.2000 1.3865 1.3865 1.4931 1.4931 1.7433 1.7433 1.9469 1.9469 2.0979 2.0979 2.4697 2.4697 2.5800 2.5800 2.8038 2.8038 3.4956 3.4956 4.6609 4.6609 5.3157 5.3157 5.6551 5.6551 5.6899 5.6899 6.4672 6.4672 6.4886 6.4886 6.5457 6.5457 6.7232 6.7232 6.7912 6.7912 12.4296 12.4296 12.4905 12.4905 13.5416 13.5416 14.8666 14.8666 14.9734 14.9734 17.3604 17.3604 k = 0.3106 0.5380-0.0000 ( 3618 PWs) bands (ev): -13.1668 -13.1668 -12.9166 -12.9166 -11.3770 -11.3770 -10.2545 -10.2545 -10.1493 -10.1493 -9.5432 -9.5432 -2.2394 -2.2394 -1.8094 -1.8094 0.3674 0.3674 0.5370 0.5370 1.1936 1.1936 1.3793 1.3793 1.4950 1.4950 1.7408 1.7408 1.9314 1.9314 2.0847 2.0847 2.4458 2.4458 2.6144 2.6144 2.8344 2.8344 3.5072 3.5072 4.6673 4.6673 5.3045 5.3045 5.6459 5.6459 5.6953 5.6953 6.4584 6.4584 6.4810 6.4810 6.5647 6.5647 6.7037 6.7037 6.7998 6.7998 12.4074 12.4074 12.5037 12.5037 13.5390 13.5390 14.8558 14.8558 15.0158 15.0158 17.3602 17.3602 k = 0.3030 0.5249-0.0000 ( 3618 PWs) bands (ev): -13.2098 -13.2098 -12.8717 -12.8717 -11.3729 -11.3729 -10.2722 -10.2722 -10.1308 -10.1308 -9.5453 -9.5453 -2.3143 -2.3143 -1.7400 -1.7400 0.3552 0.3552 0.5562 0.5562 1.1837 1.1837 1.3707 1.3707 1.4972 1.4972 1.7378 1.7378 1.9061 1.9061 2.0702 2.0702 2.4316 2.4316 2.6526 2.6526 2.8673 2.8673 3.5243 3.5243 4.6762 4.6762 5.2890 5.2890 5.6369 5.6369 5.6986 5.6986 6.4496 6.4496 6.4747 6.4747 6.5835 6.5835 6.6842 6.6842 6.8046 6.8046 12.3812 12.3812 12.5165 12.5165 13.5358 13.5358 14.8517 14.8517 15.0642 15.0642 17.3599 17.3599 k = 0.2955 0.5117-0.0000 ( 3626 PWs) bands (ev): -13.2534 -13.2534 -12.8253 -12.8253 -11.3679 -11.3679 -10.2901 -10.2901 -10.1120 -10.1120 -9.5480 -9.5480 -2.3902 -2.3902 -1.6718 -1.6718 0.3420 0.3420 0.5780 0.5780 1.1698 1.1698 1.3615 1.3615 1.4989 1.4989 1.7341 1.7341 1.8707 1.8707 2.0578 2.0578 2.4273 2.4273 2.6932 2.6932 2.9006 2.9006 3.5471 3.5471 4.6875 4.6875 5.2693 5.2693 5.6282 5.6282 5.6996 5.6996 6.4408 6.4408 6.4696 6.4696 6.6014 6.6014 6.6649 6.6649 6.8056 6.8056 12.3504 12.3504 12.5288 12.5288 13.5326 13.5326 14.8543 14.8543 15.1184 15.1184 17.3595 17.3595 k = 0.2879 0.4986-0.0000 ( 3630 PWs) bands (ev): -13.2975 -13.2975 -12.7777 -12.7777 -11.3619 -11.3619 -10.3080 -10.3080 -10.0929 -10.0929 -9.5510 -9.5510 -2.4670 -2.4670 -1.6052 -1.6052 0.3284 0.3284 0.6017 0.6017 1.1517 1.1517 1.3520 1.3520 1.4996 1.4996 1.7292 1.7292 1.8287 1.8287 2.0494 2.0494 2.4316 2.4316 2.7350 2.7350 2.9334 2.9334 3.5761 3.5761 4.7011 4.7011 5.2456 5.2456 5.6203 5.6203 5.6983 5.6983 6.4322 6.4322 6.4652 6.4652 6.6181 6.6181 6.6467 6.6467 6.8028 6.8028 12.3148 12.3148 12.5404 12.5404 13.5299 13.5299 14.8636 14.8636 15.1781 15.1781 17.3591 17.3591 k = 0.2803 0.4855-0.0000 ( 3618 PWs) bands (ev): -13.3419 -13.3419 -12.7287 -12.7287 -11.3551 -11.3551 -10.3261 -10.3261 -10.0735 -10.0735 -9.5544 -9.5544 -2.5446 -2.5446 -1.5405 -1.5405 0.3149 0.3149 0.6265 0.6265 1.1292 1.1292 1.3424 1.3424 1.4983 1.4983 1.7192 1.7192 1.7890 1.7890 2.0449 2.0449 2.4426 2.4426 2.7772 2.7772 2.9648 2.9648 3.6115 3.6115 4.7170 4.7170 5.2181 5.2181 5.6135 5.6135 5.6945 5.6945 6.4239 6.4239 6.4609 6.4609 6.6255 6.6255 6.6379 6.6379 6.7964 6.7964 12.2742 12.2742 12.5514 12.5514 13.5284 13.5284 14.8793 14.8793 15.2430 15.2430 17.3586 17.3586 k = 0.2727 0.4724-0.0000 ( 3614 PWs) bands (ev): -13.3865 -13.3865 -12.6784 -12.6784 -11.3474 -11.3474 -10.3444 -10.3444 -10.0541 -10.0541 -9.5581 -9.5581 -2.6231 -2.6231 -1.4780 -1.4780 0.3016 0.3016 0.6519 0.6519 1.1025 1.1025 1.3324 1.3324 1.4930 1.4930 1.6941 1.6941 1.7667 1.7667 2.0436 2.0436 2.4585 2.4585 2.8192 2.8192 2.9944 2.9944 3.6531 3.6531 4.7352 4.7352 5.1870 5.1870 5.6082 5.6082 5.6881 5.6881 6.4158 6.4158 6.4558 6.4558 6.6122 6.6122 6.6501 6.6501 6.7869 6.7869 12.2282 12.2282 12.5616 12.5616 13.5287 13.5287 14.9012 14.9012 15.3128 15.3128 17.3577 17.3577 k = 0.2652 0.4593-0.0000 ( 3606 PWs) bands (ev): -13.4310 -13.4310 -12.6270 -12.6270 -11.3391 -11.3391 -10.3627 -10.3627 -10.0344 -10.0344 -9.5619 -9.5619 -2.7022 -2.7022 -1.4179 -1.4179 0.2887 0.2887 0.6773 0.6773 1.0721 1.0721 1.3208 1.3208 1.4817 1.4817 1.6582 1.6582 1.7632 1.7632 2.0451 2.0451 2.4782 2.4782 2.8609 2.8609 3.0217 3.0217 3.7010 3.7010 4.7555 4.7555 5.1530 5.1530 5.6047 5.6047 5.6792 5.6792 6.4079 6.4079 6.4488 6.4488 6.6000 6.6000 6.6614 6.6614 6.7750 6.7750 12.1768 12.1768 12.5709 12.5709 13.5311 13.5311 14.9287 14.9287 15.3873 15.3873 17.3559 17.3559 k = 0.2576 0.4461-0.0000 ( 3604 PWs) bands (ev): -13.4755 -13.4755 -12.5745 -12.5745 -11.3302 -11.3302 -10.3810 -10.3810 -10.0147 -10.0147 -9.5660 -9.5660 -2.7819 -2.7819 -1.3605 -1.3605 0.2764 0.2764 0.7020 0.7020 1.0389 1.0389 1.3058 1.3058 1.4629 1.4629 1.6264 1.6264 1.7683 1.7683 2.0492 2.0492 2.5005 2.5005 2.9024 2.9024 3.0465 3.0465 3.7547 3.7547 4.7778 4.7778 5.1165 5.1165 5.6032 5.6032 5.6676 5.6676 6.4002 6.4002 6.4391 6.4391 6.5910 6.5910 6.6685 6.6685 6.7628 6.7628 12.1200 12.1200 12.5791 12.5791 13.5362 13.5362 14.9613 14.9613 15.4659 15.4659 17.3513 17.3514 k = 0.2500 0.4330-0.0000 ( 3604 PWs) bands (ev): -13.5197 -13.5197 -12.5210 -12.5210 -11.3207 -11.3207 -10.3994 -10.3994 -9.9950 -9.9950 -9.5701 -9.5701 -2.8622 -2.8622 -1.3061 -1.3061 0.2646 0.2646 0.7250 0.7250 1.0039 1.0039 1.2844 1.2844 1.4391 1.4391 1.6042 1.6042 1.7782 1.7782 2.0556 2.0556 2.5248 2.5248 2.9442 2.9442 3.0685 3.0685 3.8138 3.8138 4.8023 4.8023 5.0782 5.0782 5.6037 5.6037 5.6535 5.6535 6.3926 6.3926 6.4263 6.4263 6.5858 6.5858 6.6675 6.6675 6.7539 6.7539 12.0580 12.0580 12.5863 12.5863 13.5443 13.5443 14.9986 14.9986 15.5486 15.5486 17.3379 17.3380 k = 0.2424 0.4199-0.0000 ( 3604 PWs) bands (ev): -13.5635 -13.5635 -12.4665 -12.4665 -11.3107 -11.3107 -10.4178 -10.4178 -9.9754 -9.9754 -9.5743 -9.5743 -2.9430 -2.9430 -1.2546 -1.2546 0.2534 0.2534 0.7449 0.7449 0.9686 0.9686 1.2538 1.2538 1.4163 1.4163 1.5905 1.5905 1.7916 1.7916 2.0639 2.0639 2.5504 2.5504 2.9866 2.9866 3.0875 3.0875 3.8776 3.8776 4.8286 4.8286 5.0391 5.0391 5.6062 5.6062 5.6371 5.6371 6.3847 6.3847 6.4108 6.4108 6.5838 6.5838 6.6553 6.6553 6.7515 6.7515 11.9909 11.9909 12.5922 12.5922 13.5555 13.5555 15.0398 15.0398 15.6349 15.6349 17.2988 17.2988 k = 0.2348 0.4068-0.0000 ( 3608 PWs) bands (ev): -13.6069 -13.6069 -12.4111 -12.4111 -11.3004 -11.3004 -10.4362 -10.4362 -9.9558 -9.9558 -9.5785 -9.5785 -3.0242 -3.0242 -1.2063 -1.2063 0.2430 0.2430 0.7589 0.7589 0.9354 0.9354 1.2141 1.2141 1.3990 1.3990 1.5823 1.5823 1.8077 1.8077 2.0741 2.0741 2.5767 2.5767 3.0297 3.0297 3.1038 3.1038 3.9454 3.9454 4.8567 4.8567 5.0000 5.0000 5.6088 5.6088 5.6203 5.6203 6.3754 6.3754 6.3941 6.3941 6.5841 6.5841 6.6329 6.6329 6.7550 6.7550 11.9190 11.9190 12.5968 12.5968 13.5701 13.5701 15.0842 15.0842 15.7244 15.7244 17.2316 17.2316 k = 0.2273 0.3936-0.0000 ( 3598 PWs) bands (ev): -13.6498 -13.6498 -12.3549 -12.3549 -11.2897 -11.2897 -10.4546 -10.4546 -9.9363 -9.9363 -9.5827 -9.5827 -3.1056 -3.1056 -1.1612 -1.1612 0.2334 0.2334 0.7628 0.7628 0.9083 0.9083 1.1687 1.1687 1.3874 1.3874 1.5776 1.5776 1.8261 1.8261 2.0858 2.0858 2.6032 2.6032 3.0716 3.0716 3.1200 3.1200 4.0168 4.0168 4.8865 4.8865 4.9620 4.9620 5.5947 5.5947 5.6201 5.6201 6.3615 6.3615 6.3798 6.3798 6.5837 6.5837 6.6056 6.6056 6.7616 6.7616 11.8427 11.8427 12.6001 12.6001 13.5879 13.5879 15.1312 15.1312 15.8170 15.8170 17.1540 17.1540 k = 0.2197 0.3805-0.0000 ( 3598 PWs) bands (ev): -13.6919 -13.6919 -12.2980 -12.2980 -11.2788 -11.2788 -10.4728 -10.4728 -9.9170 -9.9170 -9.5867 -9.5867 -3.1873 -3.1873 -1.1192 -1.1192 0.2246 0.2246 0.7516 0.7516 0.8910 0.8910 1.1223 1.1223 1.3796 1.3796 1.5753 1.5753 1.8464 1.8464 2.0987 2.0987 2.6295 2.6295 3.1011 3.1011 3.1474 3.1474 4.0909 4.0909 4.9137 4.9137 4.9300 4.9300 5.5719 5.5719 5.6285 5.6285 6.3417 6.3417 6.3697 6.3697 6.5619 6.5619 6.5957 6.5957 6.7691 6.7691 11.7623 11.7623 12.6020 12.6020 13.6089 13.6089 15.1796 15.1796 15.9122 15.9122 17.0745 17.0745 k = 0.2121 0.3674-0.0000 ( 3594 PWs) bands (ev): -13.7333 -13.7333 -12.2405 -12.2405 -11.2677 -11.2677 -10.4910 -10.4910 -9.8980 -9.8980 -9.5907 -9.5907 -3.2690 -3.2690 -1.0805 -1.0805 0.2166 0.2166 0.7257 0.7257 0.8803 0.8803 1.0804 1.0804 1.3740 1.3740 1.5748 1.5748 1.8685 1.8685 2.1124 2.1124 2.6549 2.6549 3.1111 3.1111 3.1941 3.1941 4.1673 4.1673 4.8895 4.8895 4.9534 4.9534 5.5468 5.5468 5.6392 5.6392 6.3188 6.3188 6.3611 6.3611 6.5237 6.5237 6.5990 6.5990 6.7768 6.7768 11.6780 11.6780 12.6025 12.6025 13.6330 13.6330 15.2286 15.2286 16.0097 16.0097 16.9962 16.9962 k = 0.2045 0.3543-0.0000 ( 3598 PWs) bands (ev): -13.7739 -13.7739 -12.1826 -12.1826 -11.2565 -11.2565 -10.5090 -10.5090 -9.8793 -9.8793 -9.5944 -9.5944 -3.3507 -3.3507 -1.0449 -1.0449 0.2094 0.2094 0.6907 0.6907 0.8669 0.8669 1.0489 1.0489 1.3694 1.3694 1.5756 1.5756 1.8922 1.8922 2.1268 2.1268 2.6787 2.6787 3.1119 3.1119 3.2500 3.2500 4.2453 4.2453 4.8590 4.8590 4.9879 4.9879 5.5201 5.5201 5.6516 5.6516 6.2943 6.2943 6.3522 6.3522 6.4814 6.4814 6.6036 6.6036 6.7840 6.7840 11.5904 11.5904 12.6014 12.6014 13.6602 13.6602 15.2768 15.2768 16.1091 16.1091 16.9213 16.9213 k = 0.1970 0.3412-0.0000 ( 3600 PWs) bands (ev): -13.8136 -13.8136 -12.1242 -12.1242 -11.2452 -11.2452 -10.5268 -10.5268 -9.8610 -9.8610 -9.5980 -9.5980 -3.4323 -3.4323 -1.0124 -1.0124 0.2030 0.2030 0.6512 0.6512 0.8428 0.8428 1.0321 1.0321 1.3653 1.3653 1.5775 1.5775 1.9174 1.9174 2.1417 2.1417 2.7002 2.7002 3.1078 3.1078 3.3115 3.3115 4.3244 4.3244 4.8321 4.8321 5.0240 5.0240 5.4919 5.4919 5.6656 5.6656 6.2690 6.2690 6.3414 6.3414 6.4375 6.4375 6.6085 6.6085 6.7906 6.7906 11.4997 11.4997 12.5989 12.5989 13.6900 13.6900 15.3227 15.3227 16.2099 16.2099 16.8517 16.8517 k = 0.1894 0.3280-0.0000 ( 3596 PWs) bands (ev): -13.8522 -13.8522 -12.0656 -12.0656 -11.2339 -11.2339 -10.5445 -10.5445 -9.8430 -9.8430 -9.6014 -9.6014 -3.5135 -3.5135 -0.9828 -0.9828 0.1973 0.1973 0.6099 0.6099 0.8081 0.8081 1.0286 1.0286 1.3613 1.3613 1.5804 1.5804 1.9437 1.9437 2.1575 2.1575 2.7182 2.7182 3.1006 3.1006 3.3780 3.3780 4.4043 4.4043 4.8096 4.8096 5.0612 5.0612 5.4627 5.4627 5.6810 5.6810 6.2431 6.2431 6.3253 6.3253 6.3961 6.3961 6.6132 6.6132 6.7963 6.7963 11.4063 11.4063 12.5950 12.5950 13.7225 13.7225 15.3644 15.3644 16.3113 16.3113 16.7898 16.7898 k = 0.1818 0.3149-0.0000 ( 3588 PWs) bands (ev): -13.8899 -13.8899 -12.0068 -12.0068 -11.2226 -11.2226 -10.5619 -10.5619 -9.8255 -9.8255 -9.6046 -9.6046 -3.5943 -3.5943 -0.9560 -0.9560 0.1923 0.1923 0.5680 0.5680 0.7673 0.7673 1.0333 1.0333 1.3573 1.3573 1.5838 1.5838 1.9701 1.9701 2.1747 2.1747 2.7314 2.7314 3.0917 3.0917 3.4489 3.4489 4.4844 4.4844 4.7918 4.7918 5.0994 5.0994 5.4328 5.4328 5.6976 5.6976 6.2168 6.2168 6.2962 6.2962 6.3652 6.3652 6.6175 6.6175 6.8012 6.8012 11.3105 11.3105 12.5897 12.5897 13.7572 13.7572 15.3997 15.3997 16.4120 16.4120 16.7389 16.7389 k = 0.1742 0.3018-0.0000 ( 3588 PWs) bands (ev): -13.9263 -13.9263 -11.9480 -11.9480 -11.2114 -11.2114 -10.5790 -10.5790 -9.8086 -9.8086 -9.6075 -9.6075 -3.6744 -3.6744 -0.9319 -0.9319 0.1879 0.1879 0.5262 0.5262 0.7243 0.7243 1.0424 1.0424 1.3530 1.3530 1.5875 1.5875 1.9954 1.9954 2.1945 2.1945 2.7381 2.7381 3.0830 3.0830 3.5240 3.5240 4.5642 4.5642 4.7790 4.7790 5.1380 5.1380 5.4027 5.4027 5.7150 5.7150 6.1902 6.1902 6.2519 6.2519 6.3473 6.3473 6.6212 6.6212 6.8052 6.8052 11.2127 11.2127 12.5830 12.5830 13.7941 13.7941 15.4264 15.4264 16.5076 16.5076 16.7054 16.7054 k = 0.1667 0.2887-0.0000 ( 3584 PWs) bands (ev): -13.9617 -13.9617 -11.8894 -11.8894 -11.2003 -11.2003 -10.5958 -10.5958 -9.7922 -9.7922 -9.6101 -9.6101 -3.7537 -3.7537 -0.9103 -0.9103 0.1839 0.1839 0.4852 0.4852 0.6817 0.6817 1.0536 1.0536 1.3486 1.3486 1.5912 1.5912 2.0179 2.0179 2.2184 2.2184 2.7366 2.7366 3.0766 3.0766 3.6028 3.6028 4.6432 4.6432 4.7714 4.7714 5.1763 5.1763 5.3729 5.3729 5.7329 5.7329 6.1631 6.1631 6.2003 6.2003 6.3357 6.3357 6.6243 6.6243 6.8081 6.8081 11.1133 11.1133 12.5750 12.5750 13.8327 13.8327 15.4420 15.4420 16.5807 16.5807 16.7085 16.7085 k = 0.1591 0.2756-0.0000 ( 3586 PWs) bands (ev): -13.9957 -13.9957 -11.8311 -11.8311 -11.1893 -11.1893 -10.6123 -10.6123 -9.7764 -9.7764 -9.6125 -9.6125 -3.8321 -3.8321 -0.8911 -0.8911 0.1799 0.1799 0.4452 0.4452 0.6409 0.6409 1.0659 1.0659 1.3440 1.3440 1.5949 1.5949 2.0361 2.0361 2.2476 2.2476 2.7255 2.7255 3.0740 3.0740 3.6847 3.6847 4.7194 4.7194 4.7703 4.7703 5.2129 5.2129 5.3450 5.3450 5.7508 5.7508 6.1319 6.1319 6.1499 6.1499 6.3265 6.3265 6.6265 6.6265 6.8101 6.8101 11.0124 11.0124 12.5659 12.5659 13.8729 13.8729 15.4449 15.4449 16.6073 16.6073 16.7734 16.7734 k = 0.1515 0.2624-0.0000 ( 3590 PWs) bands (ev): -14.0285 -14.0285 -11.7733 -11.7733 -11.1786 -11.1786 -10.6284 -10.6284 -9.7613 -9.7613 -9.6146 -9.6146 -3.9092 -3.9092 -0.8741 -0.8741 0.1758 0.1758 0.4067 0.4067 0.6027 0.6027 1.0788 1.0788 1.3395 1.3395 1.5984 1.5984 2.0489 2.0489 2.2829 2.2829 2.7047 2.7047 3.0762 3.0762 3.7692 3.7692 4.7642 4.7642 4.8037 4.8037 5.2434 5.2434 5.3234 5.3234 5.7683 5.7683 6.0821 6.0821 6.1177 6.1177 6.3185 6.3185 6.6278 6.6278 6.8110 6.8110 10.9105 10.9105 12.5556 12.5556 13.9142 13.9142 15.4344 15.4344 16.6198 16.6198 16.8680 16.8680 k = 0.1439 0.2493-0.0000 ( 3588 PWs) bands (ev): -14.0600 -14.0600 -11.7162 -11.7162 -11.1680 -11.1680 -10.6441 -10.6441 -9.7468 -9.7468 -9.6165 -9.6165 -3.9848 -3.9848 -0.8592 -0.8592 0.1710 0.1710 0.3699 0.3699 0.5680 0.5680 1.0920 1.0920 1.3349 1.3349 1.6018 1.6018 2.0565 2.0565 2.3238 2.3238 2.6750 2.6750 3.0828 3.0828 3.8557 3.8557 4.7731 4.7731 4.8744 4.8744 5.2531 5.2531 5.3227 5.3227 5.7843 5.7843 6.0260 6.0260 6.0937 6.0937 6.3113 6.3113 6.6283 6.6283 6.8109 6.8109 10.8079 10.8079 12.5445 12.5445 13.9566 13.9566 15.4111 15.4111 16.6399 16.6399 16.9694 16.9694 k = 0.1364 0.2362-0.0000 ( 3584 PWs) bands (ev): -14.0901 -14.0901 -11.6599 -11.6599 -11.1578 -11.1578 -10.6594 -10.6594 -9.7332 -9.7332 -9.6181 -9.6181 -4.0589 -4.0589 -0.8462 -0.8462 0.1650 0.1650 0.3351 0.3351 0.5374 0.5374 1.1055 1.1055 1.3306 1.3306 1.6049 1.6049 2.0593 2.0593 2.3690 2.3690 2.6386 2.6386 3.0931 3.0931 3.9435 3.9435 4.7838 4.7838 4.9428 4.9428 5.2405 5.2405 5.3450 5.3450 5.7976 5.7976 5.9708 5.9708 6.0733 6.0733 6.3049 6.3049 6.6277 6.6277 6.8096 6.8096 10.7049 10.7049 12.5326 12.5326 13.9995 13.9995 15.3766 15.3766 16.6705 16.6705 17.0719 17.0719 k = 0.1288 0.2231-0.0000 ( 3588 PWs) bands (ev): -14.1187 -14.1187 -11.6046 -11.6046 -11.1478 -11.1478 -10.6743 -10.6743 -9.7203 -9.7203 -9.6194 -9.6194 -4.1310 -4.1310 -0.8349 -0.8349 0.1573 0.1573 0.3025 0.3025 0.5114 0.5114 1.1192 1.1192 1.3264 1.3264 1.6079 1.6079 2.0580 2.0580 2.4155 2.4155 2.5991 2.5991 3.1058 3.1058 4.0318 4.0318 4.7979 4.7979 5.0025 5.0025 5.2268 5.2268 5.3713 5.3713 5.8064 5.8064 5.9194 5.9194 6.0575 6.0575 6.2996 6.2996 6.6262 6.6262 6.8073 6.8073 10.6020 10.6020 12.5199 12.5199 14.0427 14.0427 15.3330 15.3330 16.7103 16.7103 17.1731 17.1731 k = 0.1212 0.2099-0.0000 ( 3586 PWs) bands (ev): -14.1459 -14.1459 -11.5506 -11.5506 -11.1381 -11.1381 -10.6886 -10.6886 -9.7082 -9.7082 -9.6206 -9.6206 -4.2010 -4.2010 -0.8253 -0.8253 0.1475 0.1475 0.2722 0.2722 0.4906 0.4906 1.1329 1.1329 1.3226 1.3226 1.6109 1.6109 2.0533 2.0533 2.4536 2.4536 2.5668 2.5668 3.1201 3.1201 4.1200 4.1200 4.8154 4.8154 5.0449 5.0449 5.2262 5.2262 5.3928 5.3928 5.8086 5.8086 5.8749 5.8749 6.0478 6.0478 6.2955 6.2955 6.6237 6.6237 6.8037 6.8037 10.4995 10.4995 12.5068 12.5068 14.0859 14.0859 15.2829 15.2829 16.7571 16.7571 17.2699 17.2699 k = 0.1136 0.1968-0.0000 ( 3598 PWs) bands (ev): -14.1716 -14.1716 -11.4980 -11.4980 -11.1287 -11.1287 -10.7024 -10.7024 -9.6969 -9.6969 -9.6215 -9.6215 -4.2685 -4.2685 -0.8171 -0.8171 0.1352 0.1352 0.2443 0.2443 0.4752 0.4752 1.1467 1.1467 1.3192 1.3192 1.6138 1.6138 2.0459 2.0459 2.4519 2.4519 2.5736 2.5736 3.1351 3.1351 4.2073 4.2073 4.8358 4.8358 5.0603 5.0603 5.2486 5.2486 5.4051 5.4051 5.8027 5.8027 5.8416 5.8416 6.0456 6.0456 6.2931 6.2931 6.6201 6.6201 6.7990 6.7990 10.3978 10.3978 12.4934 12.4934 14.1288 14.1288 15.2284 15.2284 16.8081 16.8081 17.3533 17.3533 k = 0.1061 0.1837-0.0000 ( 3598 PWs) bands (ev): -14.1958 -14.1958 -11.4472 -11.4472 -11.1197 -11.1197 -10.7156 -10.7156 -9.6865 -9.6865 -9.6222 -9.6222 -4.3335 -4.3335 -0.8102 -0.8102 0.1206 0.1206 0.2188 0.2188 0.4652 0.4652 1.1604 1.1604 1.3164 1.3164 1.6169 1.6169 2.0360 2.0360 2.4116 2.4116 2.6189 2.6189 3.1505 3.1505 4.2931 4.2931 4.8590 4.8590 5.0537 5.0537 5.2875 5.2875 5.4055 5.4055 5.7909 5.7909 5.8212 5.8212 6.0507 6.0507 6.2926 6.2926 6.6156 6.6156 6.7930 6.7930 10.2974 10.2974 12.4798 12.4798 14.1709 14.1709 15.1714 15.1714 16.8609 16.8609 17.4000 17.4000 k = 0.0985 0.1706-0.0000 ( 3602 PWs) bands (ev): -14.2185 -14.2185 -11.3983 -11.3983 -11.1110 -11.1110 -10.7283 -10.7283 -9.6769 -9.6769 -9.6227 -9.6227 -4.3954 -4.3954 -0.8046 -0.8046 0.1042 0.1042 0.1954 0.1954 0.4602 0.4602 1.1740 1.1740 1.3142 1.3142 1.6202 1.6202 2.0242 2.0242 2.3604 2.3604 2.6752 2.6752 3.1658 3.1658 4.3765 4.3765 4.8845 4.8845 5.0367 5.0367 5.3243 5.3243 5.3984 5.3984 5.7757 5.7757 5.8148 5.8148 6.0620 6.0620 6.2946 6.2946 6.6100 6.6100 6.7857 6.7857 10.1988 10.1988 12.4663 12.4663 14.2121 14.2121 15.1134 15.1134 16.9132 16.9132 17.4135 17.4135 k = 0.0909 0.1575-0.0000 ( 3604 PWs) bands (ev): -14.2396 -14.2396 -11.3516 -11.3516 -11.1028 -11.1028 -10.7403 -10.7403 -9.6683 -9.6683 -9.6230 -9.6230 -4.4542 -4.4542 -0.7999 -0.7999 0.0867 0.0867 0.1738 0.1738 0.4598 0.4598 1.1872 1.1872 1.3127 1.3127 1.6239 1.6239 2.0107 2.0107 2.3062 2.3062 2.7348 2.7348 3.1808 3.1808 4.4568 4.4568 4.9120 4.9120 5.0160 5.0160 5.3278 5.3278 5.4093 5.4093 5.7544 5.7544 5.8259 5.8259 6.0777 6.0777 6.2993 6.2993 6.6035 6.6035 6.7770 6.7770 10.1025 10.1025 12.4529 12.4529 14.2518 14.2518 15.0559 15.0559 16.9630 16.9630 17.4176 17.4176 k = 0.0833 0.1443-0.0000 ( 3600 PWs) bands (ev): -14.2590 -14.2590 -11.3074 -11.3074 -11.0949 -11.0949 -10.7517 -10.7517 -9.6605 -9.6605 -9.6232 -9.6232 -4.5095 -4.5095 -0.7962 -0.7962 0.0690 0.0690 0.1539 0.1539 0.4631 0.4631 1.1998 1.1998 1.3123 1.3123 1.6280 1.6280 1.9957 1.9957 2.2517 2.2517 2.7953 2.7953 3.1953 3.1953 4.5330 4.5330 4.9408 4.9408 4.9946 4.9946 5.2973 5.2973 5.4392 5.4392 5.7285 5.7285 5.8515 5.8515 6.0963 6.0963 6.3068 6.3068 6.5962 6.5962 6.7668 6.7668 10.0093 10.0093 12.4399 12.4399 14.2899 14.2899 14.9999 14.9999 17.0085 17.0085 17.4202 17.4202 k = 0.0758 0.1312-0.0000 ( 3592 PWs) bands (ev): -14.2769 -14.2769 -11.2659 -11.2659 -11.0874 -11.0874 -10.7623 -10.7623 -9.6535 -9.6535 -9.6233 -9.6233 -4.5611 -4.5611 -0.7933 -0.7933 0.0517 0.0517 0.1355 0.1355 0.4693 0.4693 1.2117 1.2117 1.3129 1.3129 1.6328 1.6328 1.9794 1.9794 2.1979 2.1979 2.8556 2.8556 3.2092 3.2092 4.6039 4.6039 4.9631 4.9631 4.9812 4.9812 5.2571 5.2571 5.4666 5.4666 5.6999 5.6999 5.8879 5.8879 6.1166 6.1166 6.3174 6.3174 6.5879 6.5879 6.7551 6.7551 9.9198 9.9198 12.4274 12.4274 14.3260 14.3260 14.9463 14.9463 17.0485 17.0485 17.4236 17.4236 k = 0.0682 0.1181-0.0000 ( 3588 PWs) bands (ev): -14.2931 -14.2931 -11.2275 -11.2275 -11.0803 -11.0803 -10.7722 -10.7722 -9.6475 -9.6475 -9.6232 -9.6232 -4.6087 -4.6087 -0.7910 -0.7910 0.0353 0.0353 0.1186 0.1186 0.4778 0.4778 1.2224 1.2224 1.3146 1.3146 1.6382 1.6382 1.9622 1.9622 2.1459 2.1459 2.9145 2.9145 3.2226 3.2226 4.6679 4.6679 4.9478 4.9478 5.0069 5.0069 5.2168 5.2168 5.4857 5.4857 5.6695 5.6695 5.9319 5.9319 6.1378 6.1378 6.3306 6.3306 6.5789 6.5789 6.7416 6.7416 9.8346 9.8346 12.4156 12.4156 14.3598 14.3598 14.8958 14.8958 17.0824 17.0824 17.4286 17.4286 k = 0.0606 0.1050-0.0000 ( 3576 PWs) bands (ev): -14.3076 -14.3076 -11.1923 -11.1923 -11.0737 -11.0737 -10.7813 -10.7813 -9.6422 -9.6422 -9.6230 -9.6230 -4.6521 -4.6521 -0.7894 -0.7894 0.0201 0.0201 0.1033 0.1033 0.4878 0.4878 1.2317 1.2317 1.3177 1.3177 1.6444 1.6444 1.9443 1.9443 2.0966 2.0966 2.9710 2.9710 3.2355 3.2355 4.7226 4.7226 4.9274 4.9274 5.0389 5.0389 5.1824 5.1824 5.4955 5.4955 5.6381 5.6381 5.9809 5.9809 6.1592 6.1592 6.3463 6.3463 6.5693 6.5693 6.7264 6.7264 9.7548 9.7548 12.4046 12.4046 14.3909 14.3909 14.8491 14.8491 17.1098 17.1098 17.4353 17.4353 k = 0.0530 0.0919-0.0000 ( 3568 PWs) bands (ev): -14.3205 -14.3205 -11.1607 -11.1607 -11.0675 -11.0675 -10.7896 -10.7896 -9.6378 -9.6378 -9.6227 -9.6227 -4.6910 -4.6910 -0.7881 -0.7881 0.0064 0.0064 0.0896 0.0896 0.4986 0.4986 1.2396 1.2396 1.3218 1.3218 1.6512 1.6512 1.9258 1.9258 2.0506 2.0506 3.0239 3.0239 3.2484 3.2484 4.7644 4.7644 4.9076 4.9076 5.0707 5.0707 5.1604 5.1604 5.4963 5.4963 5.6062 5.6062 6.0324 6.0324 6.1803 6.1803 6.3639 6.3639 6.5593 6.5593 6.7093 6.7093 9.6811 9.6811 12.3945 12.3945 14.4191 14.4191 14.8067 14.8067 17.1313 17.1313 17.4433 17.4433 k = 0.0455 0.0787-0.0000 ( 3558 PWs) bands (ev): -14.3316 -14.3316 -11.1331 -11.1331 -11.0617 -11.0617 -10.7969 -10.7969 -9.6343 -9.6343 -9.6222 -9.6222 -4.7252 -4.7252 -0.7873 -0.7873 -0.0057 -0.0057 0.0776 0.0776 0.5095 0.5095 1.2460 1.2460 1.3268 1.3268 1.6588 1.6588 1.9072 1.9072 2.0089 2.0089 3.0718 3.0718 3.2612 3.2612 4.7888 4.7888 4.8900 4.8900 5.0999 5.0999 5.1574 5.1574 5.4887 5.4887 5.5743 5.5743 6.0840 6.0840 6.2006 6.2006 6.3830 6.3830 6.5491 6.5491 6.6902 6.6902 9.6144 9.6144 12.3856 12.3856 14.4441 14.4441 14.7690 14.7690 17.1474 17.1474 17.4521 17.4521 k = 0.0379 0.0656-0.0000 ( 3554 PWs) bands (ev): -14.3411 -14.3411 -11.1098 -11.1098 -11.0562 -11.0562 -10.8032 -10.8032 -9.6315 -9.6315 -9.6216 -9.6216 -4.7544 -4.7544 -0.7867 -0.7867 -0.0161 -0.0161 0.0674 0.0674 0.5200 0.5200 1.2510 1.2510 1.3322 1.3322 1.6669 1.6669 1.8887 1.8887 1.9723 1.9723 3.1131 3.1131 3.2746 3.2746 4.7933 4.7933 4.8772 4.8772 5.1260 5.1260 5.1751 5.1751 5.4738 5.4738 5.5427 5.5427 6.1333 6.1333 6.2197 6.2197 6.4032 6.4032 6.5390 6.5390 6.6690 6.6690 9.5558 9.5558 12.3778 12.3778 14.4658 14.4658 14.7364 14.7364 17.1592 17.1592 17.4610 17.4610 k = 0.0303 0.0525-0.0000 ( 3558 PWs) bands (ev): -14.3489 -14.3489 -11.0912 -11.0912 -11.0508 -11.0508 -10.8086 -10.8086 -9.6296 -9.6296 -9.6209 -9.6209 -4.7787 -4.7787 -0.7864 -0.7864 -0.0247 -0.0247 0.0589 0.0589 0.5295 0.5295 1.2548 1.2548 1.3375 1.3375 1.6753 1.6753 1.8710 1.8710 1.9414 1.9414 3.1463 3.1463 3.2886 3.2886 4.7823 4.7823 4.8696 4.8696 5.1536 5.1536 5.2049 5.2049 5.4529 5.4529 5.5119 5.5119 6.1778 6.1778 6.2372 6.2372 6.4243 6.4243 6.5295 6.5295 6.6459 6.6459 9.5063 9.5063 12.3713 12.3713 14.4838 14.4838 14.7093 14.7093 17.1676 17.1676 17.4692 17.4692 k = 0.0227 0.0394-0.0000 ( 3557 PWs) bands (ev): -14.3549 -14.3549 -11.0776 -11.0776 -11.0454 -11.0454 -10.8128 -10.8128 -9.6282 -9.6282 -9.6202 -9.6202 -4.7977 -4.7977 -0.7862 -0.7862 -0.0314 -0.0314 0.0523 0.0523 0.5375 0.5375 1.2576 1.2576 1.3422 1.3422 1.6834 1.6834 1.8549 1.8549 1.9169 1.9169 3.1709 3.1709 3.3027 3.3027 4.7652 4.7652 4.8646 4.8646 5.1845 5.1845 5.2386 5.2386 5.4277 5.4277 5.4819 5.4819 6.2148 6.2148 6.2528 6.2528 6.4463 6.4463 6.5214 6.5214 6.6210 6.6210 9.4666 9.4666 12.3661 12.3661 14.4980 14.4980 14.6880 14.6880 17.1732 17.1732 17.4762 17.4762 k = 0.0152 0.0262-0.0000 ( 3557 PWs) bands (ev): -14.3593 -14.3593 -11.0690 -11.0690 -11.0403 -11.0403 -10.8158 -10.8158 -9.6274 -9.6274 -9.6196 -9.6196 -4.8113 -4.8113 -0.7861 -0.7861 -0.0362 -0.0362 0.0476 0.0476 0.5436 0.5436 1.2596 1.2596 1.3460 1.3460 1.6905 1.6905 1.8417 1.8417 1.8991 1.8991 3.1872 3.1872 3.3152 3.3152 4.7492 4.7492 4.8609 4.8609 5.2156 5.2156 5.2718 5.2718 5.4011 5.4011 5.4532 5.4532 6.2411 6.2411 6.2668 6.2668 6.4686 6.4686 6.5158 6.5158 6.5950 6.5950 9.4376 9.4376 12.3624 12.3624 14.5083 14.5083 14.6725 14.6725 17.1769 17.1769 17.4815 17.4815 k = 0.0076 0.0131-0.0000 ( 3555 PWs) bands (ev): -14.3619 -14.3619 -11.0644 -11.0644 -11.0366 -11.0366 -10.8177 -10.8177 -9.6270 -9.6270 -9.6191 -9.6191 -4.8195 -4.8195 -0.7860 -0.7860 -0.0390 -0.0390 0.0448 0.0448 0.5474 0.5474 1.2608 1.2608 1.3483 1.3483 1.6955 1.6955 1.8329 1.8329 1.8882 1.8882 3.1963 3.1963 3.3239 3.3239 4.7383 4.7383 4.8585 4.8585 5.2417 5.2417 5.2996 5.2996 5.3778 5.3778 5.4287 5.4287 6.2552 6.2552 6.2779 6.2779 6.4874 6.4874 6.5159 6.5159 6.5700 6.5700 9.4200 9.4200 12.3601 12.3601 14.5145 14.5145 14.6632 14.6632 17.1789 17.1789 17.4848 17.4848 k = 0.0000 0.0000 0.0000 ( 3561 PWs) bands (ev): -14.3627 -14.3627 -11.0630 -11.0630 -11.0352 -11.0352 -10.8183 -10.8183 -9.6268 -9.6268 -9.6190 -9.6190 -4.8223 -4.8223 -0.7860 -0.7860 -0.0400 -0.0400 0.0438 0.0438 0.5487 0.5487 1.2612 1.2612 1.3491 1.3491 1.6973 1.6973 1.8298 1.8298 1.8846 1.8846 3.1991 3.1991 3.3269 3.3269 4.7345 4.7345 4.8577 4.8577 5.2530 5.2530 5.3120 5.3120 5.3674 5.3674 5.4176 5.4176 6.2594 6.2594 6.2824 6.2824 6.4939 6.4939 6.5218 6.5218 6.5554 6.5554 9.4141 9.4141 12.3594 12.3594 14.5166 14.5166 14.6601 14.6601 17.1795 17.1795 17.4859 17.4859 k = 0.0000 0.0000 0.0000 ( 3561 PWs) bands (ev): -14.3627 -14.3627 -11.0630 -11.0630 -11.0352 -11.0352 -10.8183 -10.8183 -9.6268 -9.6268 -9.6190 -9.6190 -4.8223 -4.8223 -0.7860 -0.7860 -0.0400 -0.0400 0.0438 0.0438 0.5487 0.5487 1.2612 1.2612 1.3491 1.3491 1.6973 1.6973 1.8298 1.8298 1.8846 1.8846 3.1991 3.1991 3.3269 3.3269 4.7345 4.7345 4.8577 4.8577 5.2530 5.2530 5.3120 5.3120 5.3674 5.3674 5.4176 5.4176 6.2594 6.2594 6.2824 6.2824 6.4939 6.4939 6.5218 6.5218 6.5554 6.5554 9.4141 9.4141 12.3594 12.3594 14.5166 14.5166 14.6601 14.6601 17.1795 17.1795 17.4859 17.4859 k = 0.0000 0.0000 0.0150 ( 3555 PWs) bands (ev): -14.3626 -14.3626 -11.0629 -11.0629 -11.0351 -11.0351 -10.8187 -10.8187 -9.6270 -9.6270 -9.6192 -9.6192 -4.8222 -4.8222 -0.7843 -0.7843 -0.0389 -0.0389 0.0449 0.0449 0.5483 0.5483 1.2600 1.2600 1.3490 1.3490 1.6911 1.6911 1.8364 1.8364 1.8855 1.8855 3.1953 3.1953 3.3233 3.3233 4.7322 4.7322 4.8579 4.8579 5.2521 5.2521 5.3081 5.3081 5.3746 5.3746 5.4218 5.4218 6.2590 6.2590 6.2820 6.2820 6.4950 6.4950 6.5229 6.5229 6.5522 6.5522 9.4188 9.4188 12.3607 12.3607 14.4948 14.4948 14.6818 14.6818 17.1777 17.1777 17.4840 17.4840 k = 0.0000 0.0000 0.0301 ( 3555 PWs) bands (ev): -14.3620 -14.3620 -11.0626 -11.0626 -11.0347 -11.0347 -10.8201 -10.8201 -9.6275 -9.6275 -9.6197 -9.6197 -4.8219 -4.8219 -0.7791 -0.7791 -0.0357 -0.0357 0.0482 0.0482 0.5471 0.5471 1.2564 1.2564 1.3484 1.3484 1.6753 1.6753 1.8533 1.8533 1.8882 1.8882 3.1840 3.1840 3.3124 3.3124 4.7253 4.7253 4.8584 4.8584 5.2497 5.2497 5.3001 5.3001 5.3925 5.3925 5.4341 5.4341 6.2576 6.2576 6.2808 6.2808 6.4982 6.4982 6.5260 6.5260 6.5425 6.5425 9.4329 9.4329 12.3645 12.3645 14.4483 14.4483 14.7279 14.7279 17.1722 17.1722 17.4782 17.4782 k = 0.0000 0.0000 0.0451 ( 3566 PWs) bands (ev): -14.3612 -14.3612 -11.0620 -11.0620 -11.0341 -11.0341 -10.8224 -10.8224 -9.6283 -9.6283 -9.6206 -9.6206 -4.8214 -4.8214 -0.7704 -0.7704 -0.0303 -0.0303 0.0536 0.0536 0.5452 0.5452 1.2504 1.2504 1.3472 1.3472 1.6544 1.6544 1.8759 1.8759 1.8925 1.8925 3.1654 3.1654 3.2946 3.2946 4.7140 4.7140 4.8592 4.8592 5.2464 5.2464 5.2916 5.2916 5.4172 5.4172 5.4536 5.4536 6.2554 6.2554 6.2790 6.2790 6.5034 6.5034 6.5269 6.5269 6.5312 6.5312 9.4562 9.4562 12.3710 12.3710 14.3941 14.3941 14.7815 14.7815 17.1631 17.1631 17.4687 17.4687 k = 0.0000 0.0000 0.0601 ( 3566 PWs) bands (ev): -14.3600 -14.3600 -11.0612 -11.0612 -11.0333 -11.0333 -10.8256 -10.8256 -9.6295 -9.6295 -9.6217 -9.6217 -4.8207 -4.8207 -0.7584 -0.7584 -0.0228 -0.0228 0.0613 0.0613 0.5426 0.5426 1.2424 1.2424 1.3455 1.3455 1.6317 1.6317 1.8982 1.8982 1.9013 1.9013 3.1400 3.1400 3.2702 3.2702 4.6983 4.6983 4.8602 4.8602 5.2429 5.2429 5.2839 5.2839 5.4469 5.4469 5.4792 5.4792 6.2525 6.2525 6.2766 6.2766 6.5042 6.5042 6.5120 6.5120 6.5382 6.5382 9.4880 9.4880 12.3799 12.3799 14.3369 14.3369 14.8378 14.8378 17.1506 17.1506 17.4557 17.4557 k = 0.0000 0.0000 0.0751 ( 3566 PWs) bands (ev): -14.3585 -14.3585 -11.0601 -11.0601 -11.0322 -11.0322 -10.8296 -10.8296 -9.6310 -9.6310 -9.6233 -9.6233 -4.8197 -4.8197 -0.7430 -0.7430 -0.0132 -0.0132 0.0711 0.0711 0.5393 0.5393 1.2325 1.2325 1.3431 1.3431 1.6088 1.6088 1.9052 1.9052 1.9280 1.9280 3.1083 3.1083 3.2399 3.2399 4.6783 4.6783 4.8613 4.8613 5.2394 5.2394 5.2772 5.2772 5.4809 5.4809 5.5101 5.5101 6.2492 6.2492 6.2738 6.2738 6.4787 6.4787 6.5201 6.5201 6.5468 6.5468 9.5279 9.5279 12.3912 12.3912 14.2783 14.2783 14.8954 14.8954 17.1349 17.1349 17.4394 17.4394 k = 0.0000 0.0000 0.0902 ( 3602 PWs) bands (ev): -14.3568 -14.3568 -11.0589 -11.0589 -11.0309 -11.0309 -10.8344 -10.8344 -9.6328 -9.6328 -9.6251 -9.6251 -4.8187 -4.8187 -0.7244 -0.7244 -0.0016 -0.0016 0.0829 0.0829 0.5352 0.5352 1.2208 1.2208 1.3395 1.3395 1.5864 1.5864 1.9129 1.9129 1.9551 1.9551 3.0707 3.0707 3.2041 3.2041 4.6540 4.6540 4.8625 4.8625 5.2363 5.2363 5.2715 5.2715 5.5187 5.5187 5.5454 5.5454 6.2455 6.2455 6.2707 6.2707 6.4482 6.4482 6.5305 6.5305 6.5570 6.5570 9.5751 9.5751 12.4048 12.4048 14.2189 14.2189 14.9534 14.9534 17.1163 17.1163 17.4202 17.4202 k = 0.0000 0.0000 0.1052 ( 3602 PWs) bands (ev): -14.3547 -14.3547 -11.0574 -11.0574 -11.0294 -11.0294 -10.8401 -10.8401 -9.6348 -9.6348 -9.6272 -9.6272 -4.8174 -4.8174 -0.7026 -0.7026 0.0123 0.0123 0.0970 0.0970 0.5306 0.5306 1.2078 1.2078 1.3347 1.3347 1.5657 1.5657 1.9212 1.9212 1.9821 1.9821 3.0285 3.0285 3.1639 3.1639 4.6256 4.6256 4.8638 4.8638 5.2336 5.2336 5.2665 5.2665 5.5598 5.5598 5.5842 5.5842 6.2417 6.2417 6.2676 6.2676 6.4141 6.4141 6.5422 6.5422 6.5684 6.5684 9.6289 9.6289 12.4207 12.4207 14.1590 14.1590 15.0119 15.0119 17.0951 17.0951 17.3984 17.3984 k = 0.0000 0.0000 0.1202 ( 3584 PWs) bands (ev): -14.3523 -14.3523 -11.0557 -11.0557 -11.0277 -11.0277 -10.8464 -10.8464 -9.6372 -9.6372 -9.6296 -9.6296 -4.8160 -4.8160 -0.6777 -0.6777 0.0283 0.0283 0.1133 0.1133 0.5253 0.5253 1.1937 1.1937 1.3283 1.3283 1.5470 1.5470 1.9297 1.9297 2.0086 2.0086 2.9821 2.9821 3.1200 3.1200 4.5931 4.5931 4.8652 4.8652 5.2313 5.2313 5.2622 5.2622 5.6037 5.6037 5.6261 5.6261 6.2379 6.2379 6.2646 6.2646 6.3774 6.3774 6.5551 6.5551 6.5810 6.5810 9.6885 9.6885 12.4387 12.4387 14.0987 14.0987 15.0706 15.0706 17.0717 17.0717 17.3744 17.3744 k = 0.0000 0.0000 0.1353 ( 3584 PWs) bands (ev): -14.3497 -14.3497 -11.0539 -11.0539 -11.0258 -11.0258 -10.8534 -10.8534 -9.6398 -9.6398 -9.6323 -9.6323 -4.8144 -4.8144 -0.6499 -0.6499 0.0462 0.0462 0.1316 0.1316 0.5196 0.5196 1.1788 1.1788 1.3200 1.3200 1.5308 1.5308 1.9379 1.9379 2.0342 2.0342 2.9322 2.9322 3.0728 3.0728 4.5566 4.5566 4.8666 4.8666 5.2294 5.2294 5.2583 5.2583 5.6497 5.6497 5.6702 5.6702 6.2343 6.2343 6.2618 6.2618 6.3387 6.3387 6.5689 6.5689 6.5945 6.5945 9.7532 9.7532 12.4587 12.4587 14.0381 14.0381 15.1294 15.1294 17.0463 17.0463 17.3486 17.3486 k = 0.0000 0.0000 0.1503 ( 3590 PWs) bands (ev): -14.3468 -14.3468 -11.0519 -11.0519 -11.0237 -11.0237 -10.8610 -10.8610 -9.6426 -9.6426 -9.6352 -9.6352 -4.8127 -4.8127 -0.6193 -0.6193 0.0662 0.0662 0.1519 0.1519 0.5133 0.5133 1.1631 1.1631 1.3095 1.3095 1.5173 1.5173 1.9454 1.9454 2.0586 2.0586 2.8796 2.8796 3.0233 3.0233 4.5162 4.5162 4.8680 4.8680 5.2278 5.2278 5.2548 5.2548 5.6974 5.6974 5.7159 5.7159 6.2309 6.2309 6.2594 6.2594 6.2988 6.2988 6.5834 6.5834 6.6087 6.6087 9.8223 9.8223 12.4804 12.4804 13.9772 13.9772 15.1884 15.1884 17.0193 17.0193 17.3214 17.3214 k = 0.0000 0.0000 0.1653 ( 3602 PWs) bands (ev): -14.3437 -14.3437 -11.0497 -11.0497 -11.0215 -11.0215 -10.8691 -10.8691 -9.6456 -9.6456 -9.6383 -9.6383 -4.8108 -4.8108 -0.5862 -0.5862 0.0881 0.0881 0.1743 0.1743 0.5066 0.5066 1.1470 1.1470 1.2970 1.2970 1.5066 1.5066 1.9518 1.9518 2.0813 2.0813 2.8251 2.8251 2.9722 2.9722 4.4722 4.4722 4.8695 4.8695 5.2265 5.2265 5.2516 5.2516 5.7461 5.7461 5.7625 5.7625 6.2279 6.2279 6.2577 6.2577 6.2585 6.2585 6.5985 6.5985 6.6235 6.6235 9.8949 9.8949 12.5037 12.5037 13.9162 13.9162 15.2474 15.2474 16.9911 16.9911 17.2932 17.2932 k = 0.0000 0.0000 0.1804 ( 3602 PWs) bands (ev): -14.3405 -14.3405 -11.0474 -11.0474 -11.0192 -11.0192 -10.8777 -10.8777 -9.6488 -9.6488 -9.6416 -9.6416 -4.8088 -4.8088 -0.5506 -0.5506 0.1119 0.1119 0.1986 0.1986 0.4996 0.4996 1.1307 1.1307 1.2827 1.2827 1.4986 1.4986 1.9567 1.9567 2.1018 2.1018 2.7699 2.7699 2.9205 2.9205 4.4247 4.4247 4.8711 4.8711 5.2255 5.2255 5.2486 5.2486 5.7952 5.7952 5.8095 5.8095 6.2153 6.2153 6.2284 6.2284 6.2567 6.2567 6.6140 6.6140 6.6387 6.6387 9.9706 9.9706 12.5284 12.5284 13.8550 13.8550 15.3065 15.3065 16.9621 16.9621 17.2644 17.2644 k = 0.0000 0.0000 0.1954 ( 3596 PWs) bands (ev): -14.3371 -14.3371 -11.0450 -11.0450 -11.0167 -11.0167 -10.8867 -10.8867 -9.6522 -9.6522 -9.6451 -9.6451 -4.8068 -4.8068 -0.5128 -0.5128 0.1377 0.1377 0.2250 0.2250 0.4924 0.4924 1.1144 1.1144 1.2670 1.2670 1.4930 1.4930 1.9594 1.9594 2.1194 2.1194 2.7148 2.7148 2.8687 2.8687 4.3741 4.3741 4.8727 4.8727 5.2247 5.2247 5.2458 5.2458 5.8440 5.8440 5.8562 5.8562 6.1765 6.1765 6.2262 6.2262 6.2569 6.2569 6.6297 6.6297 6.6541 6.6541 10.0486 10.0486 12.5544 12.5544 13.7937 13.7937 15.3656 15.3656 16.9326 16.9326 17.2353 17.2353 k = 0.0000 0.0000 0.2104 ( 3590 PWs) bands (ev): -14.3335 -14.3335 -11.0425 -11.0425 -11.0141 -11.0141 -10.8960 -10.8960 -9.6556 -9.6556 -9.6487 -9.6487 -4.8047 -4.8047 -0.4730 -0.4730 0.1652 0.1652 0.2532 0.2532 0.4849 0.4849 1.0982 1.0982 1.2503 1.2503 1.4893 1.4893 1.9594 1.9594 2.1331 2.1331 2.6614 2.6614 2.8179 2.8179 4.3207 4.3207 4.8745 4.8745 5.2241 5.2241 5.2431 5.2431 5.8917 5.8917 5.9018 5.9018 6.1373 6.1373 6.2266 6.2266 6.2586 6.2586 6.6455 6.6455 6.6696 6.6696 10.1284 10.1284 12.5813 12.5813 13.7325 13.7325 15.4248 15.4248 16.9029 16.9029 17.2063 17.2063 k = 0.0000 0.0000 0.2254 ( 3590 PWs) bands (ev): -14.3299 -14.3299 -11.0399 -11.0399 -11.0115 -11.0115 -10.9054 -10.9054 -9.6592 -9.6592 -9.6524 -9.6524 -4.8025 -4.8025 -0.4315 -0.4315 0.1944 0.1944 0.2833 0.2833 0.4774 0.4774 1.0823 1.0823 1.2330 1.2330 1.4870 1.4870 1.9560 1.9560 2.1415 2.1415 2.6111 2.6111 2.7687 2.7687 4.2647 4.2647 4.8762 4.8762 5.2236 5.2236 5.2405 5.2405 5.9373 5.9373 5.9454 5.9454 6.0993 6.0993 6.2292 6.2292 6.2623 6.2623 6.6612 6.6612 6.6850 6.6850 10.2094 10.2094 12.6090 12.6090 13.6712 13.6712 15.4839 15.4839 16.8734 16.8734 17.1778 17.1778 k = 0.0000 0.0000 0.2405 ( 3596 PWs) bands (ev): -14.3262 -14.3262 -11.0373 -11.0373 -11.0088 -11.0088 -10.9150 -10.9150 -9.6629 -9.6629 -9.6561 -9.6561 -4.8003 -4.8003 -0.3885 -0.3885 0.2252 0.2252 0.3151 0.3151 0.4700 0.4700 1.0669 1.0669 1.2156 1.2156 1.4858 1.4858 1.9486 1.9486 2.1428 2.1428 2.5662 2.5662 2.7221 2.7221 4.2068 4.2068 4.8780 4.8780 5.2232 5.2232 5.2381 5.2381 5.9794 5.9794 5.9860 5.9860 6.0628 6.0628 6.2348 6.2348 6.2688 6.2688 6.6766 6.6766 6.7001 6.7001 10.2912 10.2912 12.6372 12.6372 13.6101 13.6101 15.5430 15.5430 16.8443 16.8443 17.1499 17.1499 k = 0.0000 0.0000 0.2555 ( 3584 PWs) bands (ev): -14.3225 -14.3225 -11.0347 -11.0347 -11.0060 -11.0060 -10.9247 -10.9247 -9.6665 -9.6665 -9.6599 -9.6599 -4.7981 -4.7981 -0.3444 -0.3444 0.2575 0.2575 0.3486 0.3486 0.4628 0.4628 1.0522 1.0522 1.1983 1.1983 1.4854 1.4854 1.9366 1.9366 2.1349 2.1349 2.5291 2.5291 2.6790 2.6790 4.1473 4.1473 4.8799 4.8799 5.2229 5.2229 5.2358 5.2358 6.0135 6.0135 6.0225 6.0225 6.0314 6.0314 6.2445 6.2445 6.2789 6.2789 6.6917 6.6917 6.7149 6.7149 10.3733 10.3733 12.6657 12.6657 13.5492 13.5492 15.6021 15.6021 16.8159 16.8159 17.1232 17.1232 k = 0.0000 0.0000 0.2705 ( 3590 PWs) bands (ev): -14.3188 -14.3188 -11.0320 -11.0320 -11.0033 -11.0033 -10.9343 -10.9343 -9.6702 -9.6702 -9.6637 -9.6637 -4.7959 -4.7959 -0.2995 -0.2995 0.2907 0.2907 0.3837 0.3837 0.4560 0.4560 1.0382 1.0382 1.1815 1.1815 1.4854 1.4854 1.9193 1.9193 2.1162 2.1162 2.5016 2.5016 2.6399 2.6399 4.0868 4.0868 4.8818 4.8818 5.2227 5.2227 5.2335 5.2335 5.9924 5.9924 6.0507 6.0507 6.0537 6.0537 6.2596 6.2596 6.2934 6.2934 6.7061 6.7061 6.7290 6.7290 10.4552 10.4552 12.6942 12.6942 13.4887 13.4887 15.6609 15.6609 16.7886 16.7886 17.0976 17.0976 k = 0.0000 0.0000 0.2856 ( 3590 PWs) bands (ev): -14.3151 -14.3151 -11.0294 -11.0294 -11.0006 -11.0006 -10.9438 -10.9438 -9.6738 -9.6738 -9.6674 -9.6674 -4.7937 -4.7937 -0.2541 -0.2541 0.3245 0.3245 0.4201 0.4201 0.4504 0.4504 1.0253 1.0253 1.1654 1.1654 1.4856 1.4856 1.8964 1.8964 2.0866 2.0866 2.4840 2.4840 2.6057 2.6057 4.0258 4.0258 4.8838 4.8838 5.2225 5.2225 5.2314 5.2314 5.9614 5.9614 6.0746 6.0746 6.0789 6.0789 6.2807 6.2807 6.3129 6.3129 6.7199 6.7199 6.7423 6.7423 10.5364 10.5364 12.7225 12.7225 13.4287 13.4287 15.7196 15.7196 16.7624 16.7624 17.0737 17.0737 k = 0.0000 0.0000 0.3006 ( 3590 PWs) bands (ev): -14.3114 -14.3114 -11.0269 -11.0269 -10.9980 -10.9980 -10.9531 -10.9531 -9.6774 -9.6774 -9.6711 -9.6711 -4.7915 -4.7915 -0.2087 -0.2087 0.3574 0.3574 0.4472 0.4472 0.4579 0.4579 1.0135 1.0135 1.1502 1.1502 1.4855 1.4855 1.8677 1.8677 2.0478 2.0478 2.4753 2.4753 2.5764 2.5764 3.9649 3.9649 4.8857 4.8857 5.2224 5.2224 5.2294 5.2294 5.9320 5.9320 6.0919 6.0919 6.0980 6.0980 6.3074 6.3074 6.3371 6.3371 6.7328 6.7328 6.7548 6.7548 10.6166 10.6166 12.7502 12.7502 13.3693 13.3693 15.7778 15.7778 16.7377 16.7377 17.0514 17.0514 k = 0.0000 0.0000 0.3156 ( 3590 PWs) bands (ev): -14.3079 -14.3079 -11.0244 -11.0244 -10.9954 -10.9954 -10.9620 -10.9620 -9.6808 -9.6808 -9.6746 -9.6746 -4.7895 -4.7895 -0.1636 -0.1636 0.3849 0.3849 0.4507 0.4507 0.4967 0.4967 1.0031 1.0031 1.1361 1.1361 1.4851 1.4851 1.8334 1.8334 2.0022 2.0022 2.4731 2.4731 2.5521 2.5521 3.9047 3.9047 4.8877 4.8877 5.2223 5.2223 5.2274 5.2274 5.9046 5.9046 6.1035 6.1035 6.1120 6.1120 6.3383 6.3383 6.3650 6.3650 6.7448 6.7448 6.7662 6.7662 10.6951 10.6951 12.7771 12.7771 13.3110 13.3110 15.8356 15.8356 16.7146 16.7146 17.0310 17.0310 k = 0.0000 0.0000 0.3307 ( 3578 PWs) bands (ev): -14.3045 -14.3045 -11.0219 -11.0219 -10.9929 -10.9929 -10.9706 -10.9706 -9.6841 -9.6841 -9.6780 -9.6780 -4.7875 -4.7875 -0.1193 -0.1193 0.3992 0.3992 0.4687 0.4687 0.5363 0.5363 0.9945 0.9945 1.1234 1.1234 1.4838 1.4838 1.7940 1.7940 1.9527 1.9527 2.4753 2.4753 2.5326 2.5326 3.8458 3.8458 4.8896 4.8896 5.2223 5.2223 5.2257 5.2257 5.8791 5.8791 6.1111 6.1111 6.1218 6.1218 6.3714 6.3714 6.3952 6.3952 6.7556 6.7556 6.7765 6.7765 10.7716 10.7716 12.8031 12.8031 13.2538 13.2538 15.8927 15.8927 16.6932 16.6932 17.0126 17.0126 k = 0.0000 0.0000 0.3457 ( 3602 PWs) bands (ev): -14.3013 -14.3013 -11.0197 -11.0197 -10.9906 -10.9906 -10.9787 -10.9787 -9.6873 -9.6873 -9.6813 -9.6813 -4.7856 -4.7856 -0.0764 -0.0764 0.4013 0.4013 0.4997 0.4997 0.5760 0.5760 0.9879 0.9879 1.1121 1.1121 1.4809 1.4809 1.7499 1.7499 1.9014 1.9014 2.4800 2.4800 2.5171 2.5171 3.7890 3.7890 4.8915 4.8915 5.2222 5.2222 5.2240 5.2240 5.8558 5.8558 6.1159 6.1159 6.1286 6.1286 6.4051 6.4051 6.4265 6.4265 6.7652 6.7652 6.7855 6.7855 10.8454 10.8454 12.8277 12.8277 13.1982 13.1982 15.9489 15.9489 16.6737 16.6737 16.9963 16.9963 k = 0.0000 0.0000 0.3607 ( 3602 PWs) bands (ev): -14.2983 -14.2983 -11.0175 -11.0175 -10.9883 -10.9883 -10.9863 -10.9863 -9.6902 -9.6902 -9.6843 -9.6843 -4.7838 -4.7838 -0.0352 -0.0352 0.3989 0.3989 0.5363 0.5363 0.6156 0.6156 0.9840 0.9840 1.1026 1.1026 1.4763 1.4763 1.7021 1.7021 1.8505 1.8505 2.4862 2.4862 2.5053 2.5053 3.7348 3.7348 4.8933 4.8933 5.2222 5.2222 5.2225 5.2225 5.8346 5.8346 6.1189 6.1189 6.1333 6.1333 6.4384 6.4384 6.4578 6.4578 6.7735 6.7735 6.7931 6.7931 10.9160 10.9160 12.8508 12.8508 13.1445 13.1445 16.0038 16.0038 16.6561 16.6561 16.9822 16.9822 k = 0.0000 0.0000 0.3757 ( 3602 PWs) bands (ev): -14.2955 -14.2955 -11.0155 -11.0155 -10.9933 -10.9933 -10.9863 -10.9863 -9.6930 -9.6930 -9.6871 -9.6871 -4.7822 -4.7822 0.0037 0.0037 0.3950 0.3950 0.5745 0.5745 0.6540 0.6540 0.9836 0.9836 1.0950 1.0950 1.4688 1.4688 1.6514 1.6514 1.8018 1.8018 2.4930 2.4930 2.4964 2.4964 3.6839 3.6839 4.8950 4.8950 5.2211 5.2211 5.2222 5.2222 5.8156 5.8156 6.1209 6.1209 6.1366 6.1366 6.4703 6.4703 6.4880 6.4880 6.7804 6.7804 6.7993 6.7993 10.9828 10.9828 12.8721 12.8721 13.0934 13.0934 16.0571 16.0571 16.6405 16.6405 16.9702 16.9702 k = 0.0000 0.0000 0.3908 ( 3602 PWs) bands (ev): -14.2930 -14.2930 -11.0137 -11.0137 -10.9996 -10.9996 -10.9844 -10.9844 -9.6954 -9.6954 -9.6897 -9.6897 -4.7807 -4.7807 0.0396 0.0396 0.3909 0.3909 0.6128 0.6128 0.6900 0.6900 0.9879 0.9879 1.0897 1.0897 1.4576 1.4576 1.5984 1.5984 1.7573 1.7573 2.4899 2.4899 2.4997 2.4997 3.6371 3.6371 4.8965 4.8965 5.2198 5.2198 5.2222 5.2222 5.7987 5.7987 6.1220 6.1220 6.1388 6.1388 6.5001 6.5001 6.5167 6.5167 6.7859 6.7859 6.8041 6.8041 11.0449 11.0449 12.8915 12.8915 13.0453 13.0453 16.1082 16.1082 16.6270 16.6270 16.9603 16.9603 k = 0.0000 0.0000 0.4058 ( 3596 PWs) bands (ev): -14.2907 -14.2907 -11.0121 -11.0121 -11.0052 -11.0052 -10.9828 -10.9828 -9.6976 -9.6976 -9.6920 -9.6920 -4.7794 -4.7794 0.0722 0.0722 0.3870 0.3870 0.6499 0.6499 0.7223 0.7223 0.9981 0.9981 1.0870 1.0870 1.4417 1.4417 1.5439 1.5439 1.7188 1.7188 2.4852 2.4852 2.5062 2.5062 3.5949 3.5949 4.8980 4.8980 5.2187 5.2187 5.2222 5.2222 5.7841 5.7841 6.1227 6.1227 6.1404 6.1404 6.5275 6.5275 6.5432 6.5432 6.7901 6.7901 6.8075 6.8075 11.1016 11.1016 12.9088 12.9088 13.0010 13.0010 16.1564 16.1564 16.6154 16.6154 16.9524 16.9524 k = 0.0000 0.0000 0.4208 ( 3596 PWs) bands (ev): -14.2888 -14.2888 -11.0108 -11.0108 -11.0100 -11.0100 -10.9813 -10.9813 -9.6995 -9.6995 -9.6939 -9.6939 -4.7783 -4.7783 0.1009 0.1009 0.3835 0.3835 0.6847 0.6847 0.7491 0.7491 1.0156 1.0156 1.0874 1.0874 1.4205 1.4205 1.4885 1.4885 1.6877 1.6877 2.4819 2.4819 2.5119 2.5119 3.5579 3.5579 4.8992 4.8992 5.2178 5.2178 5.2223 5.2223 5.7716 5.7716 6.1231 6.1231 6.1415 6.1415 6.5518 6.5518 6.5669 6.5669 6.7929 6.7929 6.8096 6.8096 11.1520 11.1520 12.9237 12.9237 12.9613 12.9613 16.2008 16.2008 16.6057 16.6057 16.9463 16.9463 k = 0.0000 0.0000 0.4359 ( 3596 PWs) bands (ev): -14.2872 -14.2872 -11.0140 -11.0140 -11.0096 -11.0096 -10.9802 -10.9802 -9.7011 -9.7011 -9.6955 -9.6955 -4.7773 -4.7773 0.1251 0.1251 0.3806 0.3806 0.7158 0.7158 0.7698 0.7698 1.0410 1.0410 1.0910 1.0910 1.3948 1.3948 1.4329 1.4329 1.6644 1.6644 2.4796 2.4796 2.5168 2.5168 3.5268 3.5268 4.9003 4.9003 5.2170 5.2170 5.2223 5.2223 5.7614 5.7614 6.1233 6.1233 6.1422 6.1422 6.5727 6.5727 6.5874 6.5874 6.7946 6.7946 6.8107 6.8107 11.1951 11.1951 12.9270 12.9270 12.9362 12.9362 16.2404 16.2404 16.5979 16.5979 16.9418 16.9418 k = 0.0000 0.0000 0.4509 ( 3608 PWs) bands (ev): -14.2859 -14.2859 -11.0172 -11.0172 -11.0087 -11.0087 -10.9792 -10.9792 -9.7023 -9.7023 -9.6968 -9.6968 -4.7766 -4.7766 0.1445 0.1445 0.3782 0.3782 0.7418 0.7418 0.7842 0.7842 1.0740 1.0740 1.0976 1.0976 1.3671 1.3671 1.3777 1.3777 1.6480 1.6480 2.4780 2.4780 2.5208 2.5208 3.5020 3.5020 4.9011 4.9011 5.2164 5.2164 5.2223 5.2223 5.7534 5.7534 6.1234 6.1234 6.1427 6.1427 6.5897 6.5897 6.6042 6.6042 6.7954 6.7954 6.8109 6.8109 11.2299 11.2299 12.8991 12.8991 12.9459 12.9459 16.2736 16.2736 16.5918 16.5918 16.9387 16.9387 k = 0.0000 0.0000 0.4659 ( 3608 PWs) bands (ev): -14.2850 -14.2850 -11.0195 -11.0195 -11.0080 -11.0080 -10.9785 -10.9785 -9.7032 -9.7032 -9.6978 -9.6978 -4.7761 -4.7761 0.1586 0.1586 0.3765 0.3765 0.7615 0.7615 0.7934 0.7934 1.1062 1.1062 1.1129 1.1129 1.3240 1.3240 1.3411 1.3411 1.6376 1.6376 2.4771 2.4771 2.5236 2.5236 3.4840 3.4840 4.9018 4.9018 5.2160 5.2160 5.2223 5.2223 5.7477 5.7477 6.1235 6.1235 6.1430 6.1430 6.6023 6.6023 6.6167 6.6167 6.7957 6.7957 6.8106 6.8106 11.2555 11.2555 12.8785 12.8785 12.9530 12.9530 16.2990 16.2990 16.5875 16.5875 16.9367 16.9367 k = 0.0000 0.0000 0.4810 ( 3608 PWs) bands (ev): -14.2845 -14.2845 -11.0208 -11.0208 -11.0076 -11.0076 -10.9781 -10.9781 -9.7038 -9.7038 -9.6983 -9.6983 -4.7758 -4.7758 0.1672 0.1672 0.3754 0.3754 0.7737 0.7737 0.7984 0.7984 1.1141 1.1141 1.1542 1.1542 1.2743 1.2743 1.3219 1.3219 1.6319 1.6319 2.4766 2.4766 2.5254 2.5254 3.4731 3.4731 4.9021 4.9021 5.2157 5.2157 5.2223 5.2223 5.7443 5.7443 6.1235 6.1235 6.1431 6.1431 6.6101 6.6101 6.6244 6.6244 6.7956 6.7956 6.8102 6.8102 11.2713 11.2713 12.8657 12.8657 12.9572 12.9572 16.3150 16.3150 16.5850 16.5850 16.9357 16.9357 k = 0.0000 0.0000 0.4960 ( 3596 PWs) bands (ev): -14.2843 -14.2843 -11.0213 -11.0213 -11.0075 -11.0075 -10.9780 -10.9780 -9.7040 -9.7040 -9.6985 -9.6985 -4.7756 -4.7756 0.1701 0.1701 0.3751 0.3751 0.7779 0.7779 0.8000 0.8000 1.1174 1.1174 1.1808 1.1808 1.2450 1.2450 1.3147 1.3147 1.6302 1.6302 2.4765 2.4765 2.5260 2.5260 3.4694 3.4694 4.9023 4.9023 5.2156 5.2156 5.2223 5.2223 5.7432 5.7432 6.1235 6.1235 6.1432 6.1432 6.6127 6.6127 6.6271 6.6271 6.7956 6.7956 6.8101 6.8101 11.2766 11.2766 12.8614 12.8614 12.9587 12.9587 16.3205 16.3205 16.5841 16.5841 16.9353 16.9353 k = 0.0000 0.0000 0.4960 ( 3596 PWs) bands (ev): -14.2843 -14.2843 -11.0213 -11.0213 -11.0075 -11.0075 -10.9780 -10.9780 -9.7040 -9.7040 -9.6985 -9.6985 -4.7756 -4.7756 0.1701 0.1701 0.3751 0.3751 0.7779 0.7779 0.8000 0.8000 1.1174 1.1174 1.1808 1.1808 1.2450 1.2450 1.3147 1.3147 1.6302 1.6302 2.4765 2.4765 2.5260 2.5260 3.4694 3.4694 4.9023 4.9023 5.2156 5.2156 5.2223 5.2223 5.7432 5.7432 6.1235 6.1235 6.1432 6.1432 6.6127 6.6127 6.6271 6.6271 6.7956 6.7956 6.8101 6.8101 11.2766 11.2766 12.8614 12.8614 12.9587 12.9587 16.3205 16.3205 16.5841 16.5841 16.9353 16.9353 k = 0.0132 0.0076 0.4960 ( 3616 PWs) bands (ev): -14.2834 -14.2834 -11.0214 -11.0214 -11.0084 -11.0084 -10.9792 -10.9792 -9.7040 -9.7040 -9.6986 -9.6986 -4.7729 -4.7729 0.1664 0.1664 0.3710 0.3710 0.7792 0.7792 0.8027 0.8027 1.1108 1.1108 1.1786 1.1786 1.2536 1.2536 1.3194 1.3194 1.6313 1.6313 2.4765 2.4765 2.5259 2.5259 3.4714 3.4714 4.9036 4.9036 5.2105 5.2105 5.2199 5.2199 5.7474 5.7474 6.1208 6.1208 6.1406 6.1406 6.6131 6.6131 6.6274 6.6274 6.7944 6.7944 6.8088 6.8088 11.2795 11.2795 12.8631 12.8631 12.9579 12.9579 16.3097 16.3097 16.5906 16.5906 16.9372 16.9372 k = 0.0263 0.0152 0.4960 ( 3612 PWs) bands (ev): -14.2809 -14.2809 -11.0222 -11.0222 -11.0112 -11.0112 -10.9822 -10.9822 -9.7043 -9.7043 -9.6986 -9.6986 -4.7646 -4.7646 0.1554 0.1554 0.3595 0.3595 0.7814 0.7814 0.8122 0.8122 1.0953 1.0953 1.1733 1.1733 1.2750 1.2750 1.3328 1.3328 1.6352 1.6352 2.4770 2.4770 2.5259 2.5259 3.4776 3.4776 4.9076 4.9076 5.1912 5.1912 5.2178 5.2178 5.7596 5.7596 6.1121 6.1121 6.1337 6.1337 6.6142 6.6142 6.6282 6.6282 6.7903 6.7903 6.8057 6.8057 11.2883 11.2883 12.8682 12.8682 12.9557 12.9557 16.2808 16.2808 16.6070 16.6070 16.9416 16.9416 k = 0.0395 0.0228 0.4960 ( 3616 PWs) bands (ev): -14.2766 -14.2766 -11.0261 -11.0261 -11.0151 -11.0151 -10.9852 -10.9852 -9.7049 -9.7049 -9.6986 -9.6986 -4.7509 -4.7509 0.1375 0.1375 0.3423 0.3423 0.7818 0.7818 0.8278 0.8278 1.0769 1.0769 1.1678 1.1678 1.3018 1.3018 1.3540 1.3540 1.6417 1.6417 2.4776 2.4776 2.5259 2.5259 3.4877 3.4877 4.9140 4.9140 5.1594 5.1594 5.2157 5.2157 5.7781 5.7781 6.0959 6.0959 6.1243 6.1243 6.6155 6.6155 6.6294 6.6294 6.7826 6.7826 6.8020 6.8020 11.3027 11.3027 12.8765 12.8765 12.9520 12.9520 16.2394 16.2394 16.6275 16.6275 16.9448 16.9448 k = 0.0526 0.0304 0.4960 ( 3616 PWs) bands (ev): -14.2707 -14.2707 -11.0374 -11.0374 -11.0178 -11.0178 -10.9863 -10.9863 -9.7063 -9.7063 -9.6981 -9.6981 -4.7318 -4.7318 0.1134 0.1134 0.3211 0.3211 0.7805 0.7805 0.8456 0.8456 1.0601 1.0601 1.1647 1.1647 1.3282 1.3282 1.3831 1.3831 1.6511 1.6511 2.4783 2.4783 2.5264 2.5264 3.5018 3.5018 4.9227 4.9227 5.1180 5.1180 5.2131 5.2131 5.8010 5.8010 6.0719 6.0719 6.1133 6.1133 6.6159 6.6159 6.6311 6.6311 6.7715 6.7715 6.7983 6.7983 11.3225 11.3225 12.8879 12.8879 12.9468 12.9468 16.1905 16.1905 16.6475 16.6475 16.9406 16.9406 k = 0.0658 0.0380 0.4960 ( 3620 PWs) bands (ev): -14.2631 -14.2631 -11.0554 -11.0554 -11.0201 -11.0201 -10.9850 -10.9850 -9.7083 -9.7083 -9.6973 -9.6973 -4.7075 -4.7075 0.0839 0.0839 0.2977 0.2977 0.7776 0.7776 0.8602 0.8602 1.0488 1.0488 1.1656 1.1656 1.3515 1.3515 1.4194 1.4194 1.6635 1.6635 2.4786 2.4786 2.5276 2.5276 3.5198 3.5198 4.9332 4.9332 5.0687 5.0687 5.2101 5.2101 5.8265 5.8265 6.0409 6.0409 6.1008 6.1008 6.6137 6.6137 6.6332 6.6332 6.7584 6.7584 6.7945 6.7945 11.3472 11.3472 12.9022 12.9022 12.9401 12.9401 16.1370 16.1370 16.6633 16.6633 16.9280 16.9280 k = 0.0789 0.0456 0.4960 ( 3618 PWs) bands (ev): -14.2539 -14.2539 -11.0789 -11.0789 -11.0232 -11.0232 -10.9813 -10.9813 -9.7110 -9.7110 -9.6963 -9.6963 -4.6781 -4.6781 0.0497 0.0497 0.2735 0.2735 0.7729 0.7729 0.8667 0.8667 1.0465 1.0465 1.1717 1.1717 1.3718 1.3718 1.4609 1.4609 1.6793 1.6793 2.4785 2.4785 2.5300 2.5300 3.5416 3.5416 4.9448 4.9448 5.0133 5.0133 5.2071 5.2071 5.8533 5.8533 6.0036 6.0036 6.0868 6.0868 6.6073 6.6073 6.6357 6.6357 6.7451 6.7451 6.7908 6.7908 11.3765 11.3765 12.9191 12.9191 12.9320 12.9320 16.0809 16.0809 16.6721 16.6721 16.9151 16.9151 k = 0.0921 0.0532 0.4960 ( 3618 PWs) bands (ev): -14.2429 -14.2429 -11.1069 -11.1069 -11.0273 -11.0273 -10.9757 -10.9757 -9.7143 -9.7143 -9.6950 -9.6950 -4.6437 -4.6437 0.0117 0.0117 0.2494 0.2494 0.7662 0.7662 0.8632 0.8632 1.0539 1.0539 1.1837 1.1837 1.3901 1.3901 1.5050 1.5050 1.6989 1.6989 2.4777 2.4777 2.5339 2.5339 3.5670 3.5670 4.9493 4.9493 4.9604 4.9604 5.2044 5.2044 5.8802 5.8802 5.9610 5.9610 6.0717 6.0717 6.5953 6.5953 6.6378 6.6378 6.7333 6.7333 6.7871 6.7871 11.4097 11.4097 12.9224 12.9224 12.9384 12.9384 16.0235 16.0235 16.6716 16.6716 16.9091 16.9091 k = 0.1053 0.0608 0.4960 ( 3618 PWs) bands (ev): -14.2303 -14.2303 -11.1391 -11.1391 -11.0321 -11.0321 -10.9685 -10.9685 -9.7184 -9.7184 -9.6936 -9.6936 -4.6047 -4.6047 -0.0296 -0.0296 0.2261 0.2261 0.7569 0.7569 0.8522 0.8522 1.0680 1.0680 1.2018 1.2018 1.4068 1.4068 1.5495 1.5495 1.7232 1.7232 2.4761 2.4761 2.5396 2.5396 3.5959 3.5959 4.8872 4.8872 4.9693 4.9693 5.2029 5.2029 5.9054 5.9054 5.9143 5.9143 6.0562 6.0562 6.5771 6.5771 6.6390 6.6390 6.7242 6.7242 6.7836 6.7836 11.4463 11.4463 12.9114 12.9114 12.9595 12.9595 15.9657 15.9657 16.6616 16.6616 16.9129 16.9129 k = 0.1184 0.0684 0.4960 ( 3618 PWs) bands (ev): -14.2161 -14.2161 -11.1750 -11.1750 -11.0377 -11.0377 -10.9600 -10.9600 -9.7230 -9.7230 -9.6922 -9.6922 -4.5612 -4.5612 -0.0735 -0.0735 0.2042 0.2042 0.7443 0.7443 0.8382 0.8382 1.0848 1.0848 1.2254 1.2254 1.4224 1.4224 1.5925 1.5925 1.7531 1.7531 2.4739 2.4739 2.5471 2.5471 3.6281 3.6281 4.8192 4.8192 4.9784 4.9784 5.2035 5.2035 5.8623 5.8623 5.9292 5.9292 6.0418 6.0418 6.5530 6.5530 6.6386 6.6386 6.7178 6.7178 6.7808 6.7808 11.4856 11.4856 12.8991 12.8991 12.9822 12.9822 15.9084 15.9084 16.6445 16.6445 16.9248 16.9249 k = 0.1316 0.0760 0.4960 ( 3630 PWs) bands (ev): -14.2003 -14.2003 -11.2143 -11.2143 -11.0439 -11.0439 -10.9501 -10.9501 -9.7284 -9.7284 -9.6908 -9.6908 -4.5135 -4.5135 -0.1195 -0.1195 0.1840 0.1840 0.7276 0.7276 0.8249 0.8249 1.1019 1.1019 1.2531 1.2531 1.4373 1.4373 1.6323 1.6323 1.7892 1.7892 2.4711 2.4711 2.5567 2.5567 3.6633 3.6633 4.7484 4.7484 4.9834 4.9834 5.2074 5.2074 5.8084 5.8084 5.9453 5.9453 6.0323 6.0323 6.5242 6.5242 6.6360 6.6360 6.7133 6.7133 6.7788 6.7788 11.5272 11.5272 12.8853 12.8853 13.0059 13.0059 15.8523 15.8523 16.6237 16.6237 16.9415 16.9415 k = 0.1447 0.0836 0.4960 ( 3630 PWs) bands (ev): -14.1829 -14.1829 -11.2567 -11.2567 -11.0506 -11.0506 -10.9392 -10.9392 -9.7345 -9.7345 -9.6894 -9.6894 -4.4619 -4.4619 -0.1673 -0.1673 0.1658 0.1658 0.7071 0.7071 0.8141 0.8141 1.1185 1.1185 1.2832 1.2832 1.4518 1.4518 1.6681 1.6681 1.8317 1.8317 2.4683 2.4683 2.5682 2.5682 3.7015 3.7015 4.6755 4.6755 4.9825 4.9825 5.2155 5.2155 5.7528 5.7528 5.9482 5.9482 6.0344 6.0344 6.4918 6.4918 6.6310 6.6310 6.7102 6.7102 6.7778 6.7778 11.5703 11.5703 12.8702 12.8702 13.0302 13.0302 15.7979 15.7979 16.6021 16.6021 16.9588 16.9588 k = 0.1579 0.0912 0.4960 ( 3614 PWs) bands (ev): -14.1639 -14.1639 -11.3019 -11.3019 -11.0578 -11.0578 -10.9271 -10.9271 -9.7413 -9.7413 -9.6880 -9.6880 -4.4066 -4.4066 -0.2165 -0.2165 0.1498 0.1498 0.6834 0.6834 0.8064 0.8064 1.1345 1.1345 1.3141 1.3141 1.4663 1.4663 1.7001 1.7001 1.8797 1.8797 2.4657 2.4657 2.5818 2.5818 3.7423 3.7423 4.6012 4.6012 4.9742 4.9742 5.2279 5.2279 5.6972 5.6972 5.9371 5.9371 6.0486 6.0486 6.4568 6.4568 6.6234 6.6234 6.7075 6.7075 6.7777 6.7777 11.6144 11.6144 12.8539 12.8539 13.0547 13.0547 15.7457 15.7457 16.5814 16.5814 16.9721 16.9721 k = 0.1711 0.0988 0.4960 ( 3610 PWs) bands (ev): -14.1433 -14.1433 -11.3497 -11.3497 -11.0654 -11.0654 -10.9140 -10.9140 -9.7489 -9.7489 -9.6868 -9.6868 -4.3480 -4.3480 -0.2667 -0.2667 0.1362 0.1362 0.6577 0.6577 0.8013 0.8013 1.1497 1.1497 1.3442 1.3442 1.4811 1.4811 1.7291 1.7291 1.9312 1.9312 2.4638 2.4638 2.5973 2.5973 3.7855 3.7855 4.5261 4.5261 4.9580 4.9580 5.2437 5.2437 5.6433 5.6433 5.9181 5.9181 6.0687 6.0687 6.4200 6.4200 6.6132 6.6132 6.7049 6.7049 6.7785 6.7785 11.6590 11.6590 12.8363 12.8363 13.0788 13.0788 15.6964 15.6964 16.5630 16.5630 16.9778 16.9778 k = 0.1842 0.1064 0.4960 ( 3610 PWs) bands (ev): -14.1212 -14.1212 -11.3997 -11.3997 -11.0732 -11.0732 -10.9000 -10.9000 -9.7573 -9.7573 -9.6856 -9.6856 -4.2862 -4.2862 -0.3179 -0.3179 0.1249 0.1249 0.6311 0.6311 0.7985 0.7985 1.1645 1.1645 1.3724 1.3724 1.4966 1.4966 1.7557 1.7557 1.9846 1.9846 2.4631 2.4631 2.6147 2.6147 3.8309 3.8309 4.4507 4.4507 4.9335 4.9335 5.2607 5.2607 5.5938 5.5938 5.8953 5.8953 6.0908 6.0908 6.3821 6.3821 6.6006 6.6006 6.7021 6.7021 6.7799 6.7799 11.7035 11.7035 12.8176 12.8176 13.1020 13.1020 15.6502 15.6502 16.5476 16.5476 16.9753 16.9753 k = 0.1974 0.1140 0.4960 ( 3606 PWs) bands (ev): -14.0976 -14.0976 -11.4518 -11.4518 -11.0814 -11.0814 -10.8851 -10.8851 -9.7664 -9.7664 -9.6846 -9.6846 -4.2218 -4.2218 -0.3697 -0.3697 0.1161 0.1161 0.6044 0.6044 0.7975 0.7975 1.1787 1.1787 1.3982 1.3982 1.5128 1.5128 1.7803 1.7803 2.0380 2.0380 2.4645 2.4645 2.6340 2.6340 3.8782 3.8782 4.3758 4.3758 4.9008 4.9008 5.2759 5.2759 5.5521 5.5521 5.8703 5.8703 6.1134 6.1134 6.3435 6.3435 6.5859 6.5859 6.6988 6.6988 6.7817 6.7817 11.7475 11.7475 12.7978 12.7978 13.1239 13.1239 15.6076 15.6076 16.5360 16.5360 16.9663 16.9663 k = 0.2105 0.1215 0.4960 ( 3608 PWs) bands (ev): -14.0726 -14.0726 -11.5056 -11.5056 -11.0896 -11.0896 -10.8693 -10.8693 -9.7763 -9.7763 -9.6837 -9.6837 -4.1548 -4.1548 -0.4221 -0.4221 0.1096 0.1096 0.5783 0.5783 0.7982 0.7982 1.1923 1.1923 1.4210 1.4210 1.5299 1.5299 1.8032 1.8032 2.0894 2.0894 2.4692 2.4692 2.6549 2.6549 3.9271 3.9271 4.3022 4.3022 4.8600 4.8600 5.2850 5.2850 5.5225 5.5225 5.8435 5.8435 6.1358 6.1358 6.3047 6.3047 6.5692 6.5692 6.6949 6.6949 6.7837 6.7837 11.7905 11.7905 12.7769 12.7769 13.1441 13.1441 15.5690 15.5690 16.5283 16.5283 16.9528 16.9528 k = 0.2237 0.1291 0.4960 ( 3612 PWs) bands (ev): -14.0462 -14.0462 -11.5609 -11.5609 -11.0980 -11.0980 -10.8526 -10.8526 -9.7871 -9.7871 -9.6830 -9.6830 -4.0858 -4.0858 -0.4749 -0.4749 0.1053 0.1053 0.5533 0.5533 0.8005 0.8005 1.2053 1.2053 1.4410 1.4410 1.5476 1.5476 1.8242 1.8242 2.1368 2.1368 2.4786 2.4786 2.6771 2.6771 3.9771 3.9771 4.2309 4.2309 4.8113 4.8113 5.2839 5.2839 5.5091 5.5091 5.8155 5.8155 6.1576 6.1576 6.2664 6.2664 6.5510 6.5510 6.6904 6.6904 6.7856 6.7856 11.8322 11.8322 12.7553 12.7553 13.1621 13.1621 15.5346 15.5346 16.5249 16.5249 16.9364 16.9364 k = 0.2368 0.1367 0.4960 ( 3610 PWs) bands (ev): -14.0184 -14.0184 -11.6174 -11.6174 -11.1065 -11.1065 -10.8352 -10.8352 -9.7986 -9.7986 -9.6823 -9.6823 -4.0151 -4.0151 -0.5279 -0.5279 0.1030 0.1030 0.5300 0.5300 0.8043 0.8043 1.2177 1.2177 1.4585 1.4585 1.5656 1.5656 1.8431 1.8431 2.1778 2.1778 2.4949 2.4949 2.7000 2.7000 4.0271 4.0271 4.1638 4.1638 4.7553 4.7553 5.2721 5.2721 5.5117 5.5117 5.7862 5.7862 6.1780 6.1780 6.2294 6.2294 6.5314 6.5314 6.6851 6.6851 6.7874 6.7874 11.8723 11.8723 12.7329 12.7329 13.1776 13.1776 15.5046 15.5046 16.5258 16.5258 16.9180 16.9180 k = 0.2500 0.1443 0.4960 ( 3606 PWs) bands (ev): -13.9894 -13.9894 -11.6749 -11.6749 -11.1149 -11.1149 -10.8171 -10.8171 -9.8109 -9.8109 -9.6818 -9.6818 -3.9429 -3.9429 -0.5810 -0.5810 0.1024 0.1024 0.5088 0.5088 0.8095 0.8095 1.2296 1.2296 1.4740 1.4740 1.5833 1.5833 1.8599 1.8599 2.2103 2.2103 2.5197 2.5197 2.7231 2.7231 4.0655 4.0655 4.1130 4.1130 4.6931 4.6931 5.2532 5.2532 5.5258 5.5258 5.7559 5.7559 6.1862 6.1862 6.2053 6.2053 6.5108 6.5108 6.6791 6.6791 6.7889 6.7889 11.9105 11.9105 12.7099 12.7099 13.1904 13.1904 15.4791 15.4791 16.5312 16.5312 16.8981 16.8982 k = 0.2632 0.1519 0.4960 ( 3602 PWs) bands (ev): -13.9591 -13.9591 -11.7332 -11.7332 -11.1233 -11.1233 -10.7984 -10.7984 -9.8240 -9.8240 -9.6814 -9.6814 -3.8696 -3.8696 -0.6342 -0.6342 0.1031 0.1031 0.4901 0.4901 0.8161 0.8161 1.2408 1.2408 1.4879 1.4879 1.6004 1.6004 1.8742 1.8742 2.2334 2.2334 2.5535 2.5535 2.7453 2.7453 4.0295 4.0295 4.1426 4.1426 4.6258 4.6258 5.2315 5.2315 5.5456 5.5456 5.7245 5.7245 6.1564 6.1564 6.2203 6.2203 6.4896 6.4896 6.6722 6.6722 6.7900 6.7900 11.9466 11.9466 12.6865 12.6865 13.2004 13.2004 15.4582 15.4582 16.5407 16.5407 16.8774 16.8774 k = 0.2763 0.1595 0.4960 ( 3596 PWs) bands (ev): -13.9276 -13.9276 -11.7920 -11.7920 -11.1315 -11.1315 -10.7791 -10.7791 -9.8378 -9.8378 -9.6812 -9.6812 -3.7956 -3.7956 -0.6872 -0.6872 0.1046 0.1046 0.4746 0.4746 0.8240 0.8240 1.2515 1.2515 1.5006 1.5006 1.6166 1.6166 1.8860 1.8860 2.2478 2.2478 2.5954 2.5954 2.7657 2.7657 3.9780 3.9780 4.1943 4.1943 4.5547 4.5547 5.2094 5.2094 5.5670 5.5670 5.6921 5.6921 6.1262 6.1262 6.2376 6.2376 6.4682 6.4682 6.6645 6.6645 6.7908 6.7908 11.9803 11.9803 12.6630 12.6630 13.2074 13.2074 15.4418 15.4418 16.5543 16.5543 16.8563 16.8563 k = 0.2895 0.1671 0.4960 ( 3596 PWs) bands (ev): -13.8951 -13.8951 -11.8510 -11.8510 -11.1396 -11.1396 -10.7593 -10.7593 -9.8523 -9.8523 -9.6810 -9.6810 -3.7212 -3.7212 -0.7401 -0.7401 0.1064 0.1064 0.4627 0.4627 0.8330 0.8330 1.2616 1.2616 1.5121 1.5121 1.6315 1.6315 1.8952 1.8952 2.2553 2.2553 2.6431 2.6431 2.7832 2.7832 3.9324 3.9324 4.2479 4.2479 4.4812 4.4812 5.1881 5.1881 5.5864 5.5864 5.6590 5.6590 6.1002 6.1002 6.2532 6.2532 6.4472 6.4472 6.6559 6.6559 6.7912 6.7912 12.0117 12.0117 12.6394 12.6394 13.2116 13.2116 15.4297 15.4297 16.5713 16.5713 16.8352 16.8352 k = 0.3026 0.1747 0.4960 ( 3598 PWs) bands (ev): -13.8616 -13.8616 -11.9100 -11.9100 -11.1474 -11.1474 -10.7390 -10.7390 -9.8675 -9.8675 -9.6809 -9.6809 -3.6469 -3.6469 -0.7926 -0.7926 0.1080 0.1080 0.4550 0.4550 0.8431 0.8431 1.2712 1.2712 1.5227 1.5227 1.6449 1.6449 1.9019 1.9019 2.2577 2.2577 2.6945 2.6945 2.7968 2.7968 3.8950 3.8950 4.3018 4.3018 4.4067 4.4067 5.1680 5.1680 5.6003 5.6003 5.6263 5.6263 6.0804 6.0804 6.2659 6.2659 6.4280 6.4280 6.6465 6.6465 6.7911 6.7911 12.0405 12.0405 12.6160 12.6160 13.2130 13.2130 15.4217 15.4217 16.5912 16.5912 16.8148 16.8148 k = 0.3158 0.1823 0.4960 ( 3602 PWs) bands (ev): -13.8274 -13.8274 -11.9688 -11.9688 -11.1550 -11.1550 -10.7185 -10.7185 -9.8832 -9.8832 -9.6809 -9.6809 -3.5730 -3.5730 -0.8445 -0.8445 0.1087 0.1087 0.4519 0.4519 0.8542 0.8542 1.2805 1.2805 1.5324 1.5324 1.6565 1.6565 1.9062 1.9062 2.2566 2.2566 2.7473 2.7473 2.8058 2.8058 3.8669 3.8669 4.3302 4.3302 4.3575 4.3575 5.1493 5.1493 5.5858 5.5858 5.6148 5.6148 6.0681 6.0681 6.2739 6.2739 6.4122 6.4122 6.6361 6.6361 6.7907 6.7907 12.0668 12.0668 12.5931 12.5931 13.2119 13.2119 15.4175 15.4175 16.6127 16.6127 16.7963 16.7963 k = 0.3289 0.1899 0.4960 ( 3594 PWs) bands (ev): -13.7924 -13.7924 -12.0271 -12.0271 -11.1622 -11.1622 -10.6977 -10.6977 -9.8994 -9.8994 -9.6809 -9.6809 -3.5000 -3.5000 -0.8958 -0.8958 0.1082 0.1082 0.4536 0.4536 0.8662 0.8662 1.2895 1.2895 1.5412 1.5412 1.6661 1.6661 1.9083 1.9083 2.2531 2.2531 2.7946 2.7946 2.8156 2.8156 3.8487 3.8487 4.2573 4.2573 4.4102 4.4102 5.1319 5.1319 5.5508 5.5508 5.6153 5.6153 6.0645 6.0645 6.2752 6.2752 6.4021 6.4021 6.6249 6.6249 6.7899 6.7899 12.0905 12.0905 12.5710 12.5710 13.2085 13.2085 15.4166 15.4166 16.6335 16.6335 16.7817 16.7817 k = 0.3421 0.1975 0.4960 ( 3590 PWs) bands (ev): -13.7570 -13.7570 -12.0846 -12.0846 -11.1691 -11.1691 -10.6769 -10.6769 -9.9160 -9.9160 -9.6810 -9.6810 -3.4283 -3.4283 -0.9462 -0.9462 0.1063 0.1063 0.4600 0.4600 0.8789 0.8789 1.2982 1.2982 1.5491 1.5491 1.6733 1.6733 1.9088 1.9088 2.2477 2.2477 2.8019 2.8019 2.8595 2.8595 3.8404 3.8404 4.1853 4.1853 4.4634 4.4634 5.1158 5.1158 5.5139 5.5139 5.6091 5.6091 6.0695 6.0695 6.2685 6.2685 6.3993 6.3993 6.6127 6.6127 6.7887 6.7887 12.1116 12.1116 12.5498 12.5498 13.2033 13.2033 15.4186 15.4186 16.6494 16.6494 16.7750 16.7750 k = 0.3553 0.2051 0.4960 ( 3592 PWs) bands (ev): -13.7213 -13.7213 -12.1409 -12.1409 -11.1756 -11.1756 -10.6561 -10.6561 -9.9328 -9.9328 -9.6812 -9.6812 -3.3585 -3.3585 -0.9955 -0.9955 0.1030 0.1030 0.4709 0.4709 0.8920 0.8920 1.3069 1.3069 1.5559 1.5559 1.6776 1.6776 1.9080 1.9080 2.2410 2.2410 2.7951 2.7951 2.9113 2.9113 3.8412 3.8412 4.1158 4.1158 4.5159 4.5159 5.1010 5.1010 5.4761 5.4761 5.5963 5.5963 6.0823 6.0823 6.2549 6.2549 6.4027 6.4027 6.5996 6.5996 6.7872 6.7872 12.1301 12.1301 12.5297 12.5297 13.1966 13.1966 15.4230 15.4230 16.6552 16.6552 16.7811 16.7811 k = 0.3684 0.2127 0.4960 ( 3592 PWs) bands (ev): -13.6856 -13.6856 -12.1957 -12.1957 -11.1816 -11.1816 -10.6355 -10.6355 -9.9497 -9.9497 -9.6814 -9.6814 -3.2910 -3.2910 -1.0433 -1.0433 0.0986 0.0986 0.4857 0.4857 0.9055 0.9055 1.3155 1.3155 1.5615 1.5615 1.6787 1.6787 1.9066 1.9066 2.2334 2.2334 2.7837 2.7837 2.9619 2.9619 3.8498 3.8498 4.0497 4.0497 4.5674 4.5674 5.0874 5.0874 5.4376 5.4376 5.5783 5.5783 6.1013 6.1013 6.2369 6.2369 6.4101 6.4101 6.5855 6.5855 6.7854 6.7854 12.1461 12.1461 12.5112 12.5112 13.1888 13.1888 15.4293 15.4293 16.6500 16.6500 16.8003 16.8003 k = 0.3816 0.2203 0.4960 ( 3596 PWs) bands (ev): -13.6503 -13.6503 -12.2485 -12.2485 -11.1872 -11.1872 -10.6154 -10.6154 -9.9665 -9.9665 -9.6816 -9.6816 -3.2264 -3.2264 -1.0892 -1.0892 0.0933 0.0933 0.5035 0.5035 0.9190 0.9190 1.3244 1.3244 1.5655 1.5655 1.6764 1.6764 1.9053 1.9053 2.2251 2.2251 2.7694 2.7694 3.0102 3.0102 3.8644 3.8644 3.9878 3.9878 4.6178 4.6178 5.0750 5.0750 5.3985 5.3985 5.5569 5.5569 6.1247 6.1247 6.2169 6.2169 6.4195 6.4195 6.5704 6.5704 6.7834 6.7834 12.1597 12.1597 12.4943 12.4943 13.1803 13.1803 15.4370 15.4370 16.6384 16.6384 16.8278 16.8278 k = 0.3947 0.2279 0.4960 ( 3606 PWs) bands (ev): -13.6157 -13.6157 -12.2990 -12.2990 -11.1922 -11.1922 -10.5959 -10.5959 -9.9831 -9.9831 -9.6818 -9.6818 -3.1654 -3.1654 -1.1330 -1.1330 0.0877 0.0877 0.5236 0.5236 0.9324 0.9324 1.3335 1.3335 1.5674 1.5674 1.6711 1.6711 1.9044 1.9044 2.2165 2.2165 2.7536 2.7536 3.0555 3.0555 3.8827 3.8827 3.9314 3.9314 4.6670 4.6670 5.0638 5.0638 5.3589 5.3589 5.5338 5.5338 6.1507 6.1507 6.1968 6.1968 6.4294 6.4294 6.5543 6.5543 6.7813 6.7813 12.1709 12.1709 12.4792 12.4792 13.1715 13.1715 15.4455 15.4455 16.6240 16.6240 16.8590 16.8590 k = 0.4079 0.2355 0.4960 ( 3606 PWs) bands (ev): -13.5824 -13.5824 -12.3465 -12.3465 -11.1967 -11.1967 -10.5773 -10.5773 -9.9990 -9.9990 -9.6820 -9.6820 -3.1087 -3.1087 -1.1740 -1.1740 0.0819 0.0819 0.5449 0.5449 0.9453 0.9453 1.3433 1.3433 1.5665 1.5665 1.6637 1.6637 1.9046 1.9046 2.2078 2.2078 2.7376 2.7376 3.0972 3.0972 3.8745 3.8745 3.9094 3.9094 4.7148 4.7148 5.0539 5.0539 5.3191 5.3191 5.5105 5.5105 6.1702 6.1702 6.1855 6.1855 6.4392 6.4392 6.5372 6.5372 6.7791 6.7791 12.1799 12.1799 12.4660 12.4660 13.1627 13.1627 15.4544 15.4544 16.6093 16.6093 16.8914 16.8914 k = 0.4211 0.2431 0.4960 ( 3608 PWs) bands (ev): -13.5509 -13.5509 -12.3904 -12.3904 -11.2007 -11.2007 -10.5599 -10.5599 -10.0141 -10.0141 -9.6822 -9.6822 -3.0571 -3.0571 -1.2116 -1.2116 0.0763 0.0763 0.5663 0.5663 0.9575 0.9575 1.3536 1.3536 1.5616 1.5616 1.6558 1.6558 1.9056 1.9056 2.1992 2.1992 2.7224 2.7224 3.1348 3.1348 3.8299 3.8299 3.9306 3.9306 4.7611 4.7611 5.0452 5.0452 5.2792 5.2792 5.4881 5.4881 6.1553 6.1553 6.2106 6.2106 6.4484 6.4484 6.5189 6.5189 6.7769 6.7769 12.1868 12.1868 12.4549 12.4549 13.1544 13.1544 15.4632 15.4632 16.5951 16.5951 16.9229 16.9229 k = 0.4342 0.2507 0.4960 ( 3606 PWs) bands (ev): -13.5220 -13.5220 -12.4298 -12.4298 -11.2041 -11.2041 -10.5441 -10.5441 -10.0279 -10.0279 -9.6823 -9.6823 -3.0114 -3.0114 -1.2452 -1.2452 0.0712 0.0712 0.5869 0.5869 0.9686 0.9686 1.3649 1.3649 1.5519 1.5519 1.6490 1.6490 1.9074 1.9074 2.1911 2.1911 2.7086 2.7086 3.1678 3.1678 3.7900 3.7900 3.9528 3.9528 4.8057 4.8057 5.0379 5.0379 5.2395 5.2395 5.4675 5.4675 6.1385 6.1385 6.2397 6.2397 6.4566 6.4566 6.4997 6.4997 6.7749 6.7749 12.1921 12.1921 12.4458 12.4458 13.1468 13.1468 15.4715 15.4715 16.5823 16.5823 16.9523 16.9523 k = 0.4474 0.2583 0.4960 ( 3606 PWs) bands (ev): -13.4965 -13.4965 -12.4640 -12.4640 -11.2069 -11.2069 -10.5304 -10.5304 -10.0401 -10.0401 -9.6825 -9.6825 -2.9724 -2.9724 -1.2741 -1.2741 0.0668 0.0668 0.6056 0.6056 0.9784 0.9784 1.3772 1.3772 1.5376 1.5376 1.6442 1.6442 1.9096 1.9096 2.1838 2.1838 2.6968 2.6968 3.1957 3.1957 3.7565 3.7565 3.9732 3.9732 4.8486 4.8486 5.0318 5.0318 5.2002 5.2002 5.4496 5.4496 6.1238 6.1238 6.2689 6.2689 6.4632 6.4632 6.4798 6.4798 6.7730 6.7730 12.1958 12.1958 12.4386 12.4386 13.1403 13.1403 15.4788 15.4788 16.5713 16.5713 16.9782 16.9782 k = 0.4605 0.2659 0.4960 ( 3602 PWs) bands (ev): -13.4753 -13.4753 -12.4921 -12.4921 -11.2091 -11.2091 -10.5190 -10.5190 -10.0502 -10.0502 -9.6826 -9.6826 -2.9409 -2.9409 -1.2975 -1.2975 0.0633 0.0633 0.6215 0.6215 0.9865 0.9865 1.3905 1.3905 1.5201 1.5201 1.6414 1.6414 1.9119 1.9119 2.1777 2.1777 2.6874 2.6874 3.2180 3.2180 3.7300 3.7300 3.9904 3.9904 4.8893 4.8893 5.0272 5.0272 5.1620 5.1620 5.4350 5.4350 6.1118 6.1118 6.2975 6.2975 6.4569 6.4569 6.4705 6.4705 6.7715 6.7715 12.1983 12.1983 12.4332 12.4332 13.1349 13.1349 15.4849 15.4849 16.5625 16.5625 16.9997 16.9997 k = 0.4737 0.2735 0.4960 ( 3610 PWs) bands (ev): -13.4593 -13.4593 -12.5129 -12.5129 -11.2107 -11.2107 -10.5105 -10.5105 -10.0578 -10.0578 -9.6827 -9.6827 -2.9178 -2.9178 -1.3148 -1.3148 0.0606 0.0606 0.6335 0.6335 0.9925 0.9925 1.4043 1.4043 1.5014 1.5014 1.6400 1.6400 1.9137 1.9137 2.1730 2.1730 2.6805 2.6805 3.2342 3.2342 3.7108 3.7108 4.0035 4.0035 4.9266 4.9266 5.0242 5.0242 5.1259 5.1259 5.4242 5.4242 6.1030 6.1030 6.3248 6.3248 6.4356 6.4356 6.4741 6.4741 6.7703 6.7703 12.1998 12.1998 12.4294 12.4294 13.1310 13.1310 15.4895 15.4895 16.5560 16.5560 17.0157 17.0157 k = 0.4868 0.2811 0.4960 ( 3612 PWs) bands (ev): -13.4493 -13.4493 -12.5258 -12.5258 -11.2116 -11.2116 -10.5052 -10.5052 -10.0625 -10.0625 -9.6828 -9.6828 -2.9037 -2.9037 -1.3255 -1.3255 0.0590 0.0590 0.6411 0.6411 0.9963 0.9963 1.4171 1.4171 1.4851 1.4851 1.6394 1.6394 1.9150 1.9150 2.1700 2.1700 2.6764 2.6764 3.2441 3.2441 3.6992 3.6992 4.0117 4.0117 4.9571 4.9571 5.0230 5.0230 5.0956 5.0956 5.4176 5.4176 6.0975 6.0975 6.3494 6.3494 6.4144 6.4144 6.4766 6.4766 6.7696 6.7696 12.2007 12.2007 12.4272 12.4272 13.1285 13.1285 15.4923 15.4923 16.5520 16.5520 17.0256 17.0256 k = 0.5000 0.2887 0.4960 ( 3608 PWs) bands (ev): -13.4459 -13.4459 -12.5302 -12.5302 -11.2119 -11.2119 -10.5035 -10.5035 -10.0641 -10.0641 -9.6828 -9.6828 -2.8989 -2.8989 -1.3291 -1.3291 0.0585 0.0585 0.6436 0.6436 0.9976 0.9976 1.4232 1.4232 1.4777 1.4777 1.6392 1.6392 1.9155 1.9155 2.1690 2.1690 2.6750 2.6750 3.2474 3.2474 3.6953 3.6953 4.0145 4.0145 4.9704 4.9704 5.0233 5.0233 5.0816 5.0816 5.4153 5.4153 6.0957 6.0957 6.3628 6.3628 6.4020 6.4020 6.4774 6.4774 6.7693 6.7693 12.2010 12.2010 12.4265 12.4265 13.1277 13.1277 15.4932 15.4932 16.5506 16.5506 17.0290 17.0290 k = 0.5000 0.2887 0.4960 ( 3608 PWs) bands (ev): -13.4459 -13.4459 -12.5302 -12.5302 -11.2119 -11.2119 -10.5035 -10.5035 -10.0641 -10.0641 -9.6828 -9.6828 -2.8989 -2.8989 -1.3291 -1.3291 0.0585 0.0585 0.6436 0.6436 0.9976 0.9976 1.4232 1.4232 1.4777 1.4777 1.6392 1.6392 1.9155 1.9155 2.1690 2.1690 2.6750 2.6750 3.2474 3.2474 3.6953 3.6953 4.0145 4.0145 4.9704 4.9704 5.0233 5.0233 5.0816 5.0816 5.4153 5.4153 6.0957 6.0957 6.3628 6.3628 6.4020 6.4020 6.4774 6.4774 6.7693 6.7693 12.2010 12.2010 12.4265 12.4265 13.1277 13.1277 15.4932 15.4932 16.5506 16.5506 17.0290 17.0290 k = 0.4924 0.3018 0.4960 ( 3620 PWs) bands (ev): -13.4449 -13.4449 -12.5312 -12.5312 -11.2125 -11.2125 -10.5030 -10.5030 -10.0649 -10.0649 -9.6823 -9.6823 -2.8970 -2.8970 -1.3307 -1.3307 0.0599 0.0599 0.6446 0.6446 0.9947 0.9947 1.4103 1.4103 1.4927 1.4927 1.6394 1.6394 1.9144 1.9144 2.1626 2.1626 2.6838 2.6838 3.2443 3.2443 3.6944 3.6944 4.0152 4.0152 4.9707 4.9707 5.0233 5.0233 5.0829 5.0829 5.4135 5.4135 6.0967 6.0967 6.3633 6.3633 6.3992 6.3992 6.4794 6.4794 6.7692 6.7692 12.2011 12.2011 12.4254 12.4254 13.1271 13.1271 15.4934 15.4934 16.5453 16.5453 17.0331 17.0331 k = 0.4848 0.3149 0.4960 ( 3620 PWs) bands (ev): -13.4421 -13.4421 -12.5340 -12.5340 -11.2143 -11.2143 -10.5016 -10.5016 -10.0670 -10.0670 -9.6810 -9.6810 -2.8910 -2.8910 -1.3357 -1.3357 0.0641 0.0641 0.6475 0.6475 0.9863 0.9863 1.3877 1.3877 1.5214 1.5214 1.6402 1.6402 1.9111 1.9111 2.1454 2.1454 2.7088 2.7088 3.2351 3.2351 3.6918 3.6918 4.0172 4.0172 4.9718 4.9718 5.0235 5.0235 5.0867 5.0867 5.4080 5.4080 6.0998 6.0998 6.3648 6.3648 6.3916 6.3916 6.4845 6.4845 6.7687 6.7687 12.2017 12.2017 12.4220 12.4220 13.1254 13.1254 15.4941 15.4941 16.5299 16.5299 17.0451 17.0451 k = 0.4773 0.3280 0.4960 ( 3612 PWs) bands (ev): -13.4373 -13.4373 -12.5387 -12.5387 -11.2172 -11.2172 -10.4992 -10.4992 -10.0705 -10.0705 -9.6788 -9.6788 -2.8810 -2.8810 -1.3440 -1.3440 0.0711 0.0711 0.6523 0.6523 0.9728 0.9728 1.3655 1.3655 1.5526 1.5526 1.6420 1.6420 1.9049 1.9049 2.1219 2.1219 2.7464 2.7464 3.2203 3.2203 3.6876 3.6876 4.0203 4.0203 4.9734 4.9734 5.0240 5.0240 5.0926 5.0926 5.3991 5.3991 6.1047 6.1047 6.3670 6.3670 6.3809 6.3809 6.4912 6.4912 6.7679 6.7679 12.2027 12.2027 12.4165 12.4165 13.1226 13.1226 15.4952 15.4952 16.5060 16.5060 17.0635 17.0635 k = 0.4697 0.3412 0.4960 ( 3612 PWs) bands (ev): -13.4306 -13.4306 -12.5454 -12.5454 -11.2212 -11.2212 -10.4959 -10.4959 -10.0753 -10.0753 -9.6759 -9.6759 -2.8671 -2.8671 -1.3557 -1.3557 0.0808 0.0808 0.6589 0.6589 0.9548 0.9548 1.3455 1.3455 1.5822 1.5822 1.6454 1.6454 1.8945 1.8945 2.0977 2.0977 2.7928 2.7928 3.2003 3.2003 3.6819 3.6819 4.0241 4.0241 4.9756 4.9756 5.0251 5.0251 5.1004 5.1004 5.3871 5.3871 6.1113 6.1113 6.3665 6.3665 6.3718 6.3718 6.4983 6.4983 6.7668 6.7668 12.2040 12.2040 12.4091 12.4091 13.1188 13.1188 15.4968 15.4968 16.4755 16.4755 17.0863 17.0863 k = 0.4621 0.3543 0.4960 ( 3620 PWs) bands (ev): -13.4220 -13.4220 -12.5539 -12.5539 -11.2262 -11.2262 -10.4917 -10.4917 -10.0813 -10.0813 -9.6724 -9.6724 -2.8494 -2.8494 -1.3706 -1.3706 0.0932 0.0932 0.6673 0.6673 0.9333 0.9333 1.3280 1.3280 1.6056 1.6056 1.6524 1.6524 1.8792 1.8792 2.0778 2.0778 2.8448 2.8448 3.1761 3.1761 3.6748 3.6748 4.0280 4.0280 4.9780 4.9780 5.0270 5.0270 5.1097 5.1097 5.3725 5.3725 6.1193 6.1193 6.3535 6.3535 6.3750 6.3750 6.5050 6.5050 6.7655 6.7655 12.2056 12.2056 12.3998 12.3998 13.1139 13.1139 15.4990 15.4990 16.4401 16.4401 17.1120 17.1120 k = 0.4545 0.3674 0.4960 ( 3620 PWs) bands (ev): -13.4115 -13.4115 -12.5645 -12.5645 -11.2320 -11.2320 -10.4865 -10.4865 -10.0884 -10.0884 -9.6685 -9.6685 -2.8278 -2.8278 -1.3888 -1.3888 0.1081 0.1081 0.6773 0.6773 0.9093 0.9093 1.3126 1.3126 1.6186 1.6186 1.6641 1.6641 1.8604 1.8604 2.0652 2.0652 2.9000 2.9000 3.1488 3.1488 3.6666 3.6666 4.0316 4.0316 4.9804 4.9804 5.0297 5.0297 5.1203 5.1203 5.3558 5.3558 6.1284 6.1284 6.3392 6.3392 6.3798 6.3798 6.5109 6.5109 6.7639 6.7639 12.2074 12.2074 12.3889 12.3889 13.1082 13.1082 15.5017 15.5017 16.4012 16.4012 17.1393 17.1393 k = 0.4470 0.3805 0.4960 ( 3622 PWs) bands (ev): -13.3991 -13.3991 -12.5770 -12.5770 -11.2385 -11.2385 -10.4805 -10.4805 -10.0963 -10.0963 -9.6643 -9.6643 -2.8026 -2.8026 -1.4102 -1.4102 0.1253 0.1253 0.6887 0.6887 0.8840 0.8840 1.2989 1.2989 1.6222 1.6222 1.6748 1.6748 1.8427 1.8427 2.0609 2.0609 2.9558 2.9558 3.1202 3.1202 3.6577 3.6577 4.0345 4.0345 4.9825 4.9825 5.0334 5.0334 5.1317 5.1317 5.3375 5.3375 6.1383 6.1383 6.3246 6.3246 6.3853 6.3853 6.5156 6.5156 6.7620 6.7620 12.2095 12.2095 12.3767 12.3767 13.1017 13.1017 15.5051 15.5051 16.3600 16.3600 17.1673 17.1673 k = 0.4394 0.3936 0.4960 ( 3618 PWs) bands (ev): -13.3848 -13.3848 -12.5915 -12.5915 -11.2455 -11.2455 -10.4735 -10.4735 -10.1052 -10.1052 -9.6600 -9.6600 -2.7737 -2.7737 -1.4349 -1.4349 0.1448 0.1448 0.7010 0.7010 0.8586 0.8586 1.2865 1.2865 1.6184 1.6184 1.6776 1.6776 1.8322 1.8322 2.0640 2.0640 3.0058 3.0058 3.0961 3.0961 3.6483 3.6483 4.0363 4.0363 4.9838 4.9838 5.0379 5.0379 5.1437 5.1437 5.3184 5.3184 6.1487 6.1487 6.3102 6.3102 6.3913 6.3913 6.5192 6.5192 6.7599 6.7599 12.2118 12.2118 12.3635 12.3635 13.0945 13.0945 15.5092 15.5092 16.3172 16.3172 17.1951 17.1951 k = 0.4318 0.4068 0.4960 ( 3614 PWs) bands (ev): -13.3686 -13.3686 -12.6080 -12.6080 -11.2530 -11.2530 -10.4657 -10.4657 -10.1148 -10.1148 -9.6556 -9.6556 -2.7413 -2.7413 -1.4628 -1.4628 0.1664 0.1664 0.7130 0.7130 0.8349 0.8349 1.2748 1.2748 1.6049 1.6049 1.6736 1.6736 1.8314 1.8314 2.0733 2.0733 3.0223 3.0223 3.1043 3.1043 3.6391 3.6391 4.0365 4.0365 4.9839 4.9839 5.0434 5.0434 5.1561 5.1561 5.2992 5.2992 6.1592 6.1592 6.2962 6.2962 6.3979 6.3979 6.5215 6.5215 6.7576 6.7576 12.2141 12.2141 12.3495 12.3495 13.0867 13.0867 15.5143 15.5143 16.2735 16.2735 17.2225 17.2225 k = 0.4242 0.4199 0.4960 ( 3606 PWs) bands (ev): -13.3506 -13.3506 -12.6265 -12.6265 -11.2606 -11.2606 -10.4569 -10.4569 -10.1250 -10.1250 -9.6514 -9.6514 -2.7055 -2.7055 -1.4938 -1.4938 0.1898 0.1898 0.7222 0.7222 0.8159 0.8159 1.2636 1.2636 1.5796 1.5796 1.6700 1.6700 1.8368 1.8368 2.0873 2.0873 2.9994 2.9994 3.1504 3.1504 3.6306 3.6306 4.0350 4.0350 4.9824 4.9824 5.0498 5.0498 5.1685 5.1685 5.2805 5.2805 6.1697 6.1697 6.2830 6.2830 6.4048 6.4048 6.5224 6.5224 6.7551 6.7551 12.2165 12.2165 12.3351 12.3351 13.0786 13.0786 15.5204 15.5204 16.2295 16.2295 17.2489 17.2489 k = 0.4167 0.4330 0.4960 ( 3606 PWs) bands (ev): -13.3307 -13.3307 -12.6471 -12.6471 -11.2684 -11.2684 -10.4474 -10.4474 -10.1359 -10.1359 -9.6474 -9.6474 -2.6665 -2.6665 -1.5278 -1.5278 0.2148 0.2148 0.7233 0.7233 0.8071 0.8071 1.2523 1.2523 1.5456 1.5456 1.6692 1.6692 1.8439 1.8439 2.1044 2.1044 2.9683 2.9683 3.2027 3.2027 3.6238 3.6238 4.0315 4.0315 4.9788 4.9788 5.0570 5.0570 5.1807 5.1807 5.2630 5.2630 6.1797 6.1797 6.2706 6.2706 6.4121 6.4121 6.5220 6.5220 6.7525 6.7525 12.2189 12.2189 12.3206 12.3206 13.0702 13.0702 15.5277 15.5277 16.1855 16.1855 17.2742 17.2742 k = 0.4091 0.4461 0.4960 ( 3614 PWs) bands (ev): -13.3090 -13.3090 -12.6697 -12.6697 -11.2759 -11.2759 -10.4370 -10.4370 -10.1473 -10.1473 -9.6437 -9.6437 -2.6245 -2.6245 -1.5649 -1.5649 0.2410 0.2410 0.7132 0.7132 0.8119 0.8119 1.2409 1.2409 1.5074 1.5074 1.6706 1.6706 1.8505 1.8505 2.1231 2.1231 2.9370 2.9370 3.2531 3.2531 3.6199 3.6199 4.0259 4.0259 4.9728 4.9728 5.0648 5.0648 5.1922 5.1922 5.2474 5.2474 6.1891 6.1891 6.2594 6.2594 6.4195 6.4195 6.5204 6.5204 6.7497 6.7497 12.2211 12.2211 12.3064 12.3064 13.0618 13.0618 15.5364 15.5364 16.1418 16.1418 17.2982 17.2982 k = 0.4015 0.4593 0.4960 ( 3618 PWs) bands (ev): -13.2854 -13.2854 -12.6943 -12.6943 -11.2833 -11.2833 -10.4257 -10.4257 -10.1593 -10.1593 -9.6403 -9.6403 -2.5795 -2.5795 -1.6048 -1.6048 0.2682 0.2682 0.6962 0.6962 0.8259 0.8259 1.2293 1.2293 1.4679 1.4679 1.6734 1.6734 1.8556 1.8556 2.1419 2.1419 2.9074 2.9074 3.2984 3.2984 3.6207 3.6207 4.0182 4.0182 4.9642 4.9642 5.0733 5.0733 5.2026 5.2026 5.2345 5.2345 6.1977 6.1977 6.2494 6.2494 6.4271 6.4271 6.5177 6.5177 6.7469 6.7469 12.2232 12.2232 12.2926 12.2926 13.0534 13.0534 15.5466 15.5466 16.0988 16.0988 17.3208 17.3208 k = 0.3939 0.4724 0.4960 ( 3620 PWs) bands (ev): -13.2601 -13.2601 -12.7209 -12.7209 -11.2902 -11.2902 -10.4137 -10.4137 -10.1718 -10.1718 -9.6374 -9.6374 -2.5319 -2.5319 -1.6476 -1.6476 0.2958 0.2958 0.6772 0.6772 0.8443 0.8443 1.2175 1.2175 1.4289 1.4289 1.6770 1.6770 1.8592 1.8592 2.1593 2.1593 2.8808 2.8808 3.3360 3.3360 3.6280 3.6280 4.0083 4.0083 4.9533 4.9533 5.0823 5.0823 5.2097 5.2097 5.2261 5.2261 6.2051 6.2051 6.2410 6.2410 6.4348 6.4348 6.5141 6.5141 6.7440 6.7440 12.2250 12.2250 12.2796 12.2796 13.0453 13.0453 15.5586 15.5586 16.0565 16.0565 17.3417 17.3417 k = 0.3864 0.4855 0.4960 ( 3612 PWs) bands (ev): -13.2329 -13.2329 -12.7493 -12.7493 -11.2965 -11.2965 -10.4010 -10.4010 -10.1849 -10.1849 -9.6348 -9.6348 -2.4817 -2.4817 -1.6931 -1.6931 0.3235 0.3235 0.6584 0.6584 0.8645 0.8645 1.2056 1.2056 1.3915 1.3915 1.6813 1.6813 1.8612 1.8612 2.1742 2.1742 2.8582 2.8582 3.3641 3.3641 3.6436 3.6436 3.9963 3.9963 4.9406 4.9406 5.0917 5.0917 5.2077 5.2077 5.2276 5.2276 6.2112 6.2112 6.2343 6.2343 6.4424 6.4424 6.5097 6.5097 6.7412 6.7412 12.2265 12.2265 12.2678 12.2678 13.0376 13.0376 15.5725 15.5725 16.0152 16.0152 17.3609 17.3609 k = 0.3788 0.4986 0.4960 ( 3608 PWs) bands (ev): -13.2040 -13.2040 -12.7796 -12.7796 -11.3022 -11.3022 -10.3875 -10.3875 -10.1985 -10.1985 -9.6326 -9.6326 -2.4292 -2.4292 -1.7412 -1.7412 0.3503 0.3503 0.6411 0.6411 0.8850 0.8850 1.1943 1.1943 1.3562 1.3562 1.6859 1.6859 1.8620 1.8620 2.1859 2.1859 2.8401 2.8401 3.3823 3.3823 3.6673 3.6673 3.9821 3.9821 4.9269 4.9269 5.1013 5.1013 5.2014 5.2014 5.2338 5.2338 6.2155 6.2155 6.2297 6.2297 6.4498 6.4498 6.5048 6.5048 6.7384 6.7384 12.2276 12.2276 12.2573 12.2573 13.0305 13.0305 15.5884 15.5884 15.9751 15.9751 17.3781 17.3781 k = 0.3712 0.5117 0.4960 ( 3616 PWs) bands (ev): -13.1734 -13.1734 -12.8117 -12.8117 -11.3072 -11.3072 -10.3732 -10.3732 -10.2127 -10.2127 -9.6309 -9.6309 -2.3747 -2.3747 -1.7917 -1.7917 0.3756 0.3756 0.6260 0.6260 0.9045 0.9045 1.1843 1.1843 1.3234 1.3234 1.6906 1.6906 1.8617 1.8617 2.1940 2.1940 2.8266 2.8266 3.3923 3.3923 3.6973 3.6973 3.9659 3.9659 4.9130 4.9130 5.1112 5.1112 5.1950 5.1950 5.2397 5.2397 6.2170 6.2170 6.2279 6.2279 6.4568 6.4568 6.4997 6.4997 6.7357 6.7357 12.2282 12.2282 12.2485 12.2485 13.0242 13.0242 15.6063 15.6063 15.9364 15.9364 17.3933 17.3933 k = 0.3636 0.5249 0.4960 ( 3620 PWs) bands (ev): -13.1410 -13.1410 -12.8454 -12.8454 -11.3113 -11.3113 -10.3584 -10.3584 -10.2275 -10.2275 -9.6295 -9.6295 -2.3182 -2.3182 -1.8447 -1.8447 0.3980 0.3980 0.6137 0.6137 0.9221 0.9221 1.1768 1.1768 1.2934 1.2934 1.6953 1.6953 1.8605 1.8605 2.1988 2.1988 2.8175 2.8175 3.3965 3.3965 3.7307 3.7307 3.9479 3.9479 4.8999 4.8999 5.1212 5.1212 5.1889 5.1889 5.2443 5.2443 6.2165 6.2165 6.2284 6.2284 6.4632 6.4632 6.4947 6.4947 6.7333 6.7333 12.2280 12.2280 12.2417 12.2417 13.0187 13.0187 15.6263 15.6263 15.8992 15.8992 17.4061 17.4061 k = 0.3561 0.5380 0.4960 ( 3618 PWs) bands (ev): -13.1070 -13.1070 -12.8807 -12.8807 -11.3146 -11.3146 -10.3428 -10.3428 -10.2429 -10.2429 -9.6285 -9.6285 -2.2601 -2.2601 -1.8999 -1.8999 0.4164 0.4164 0.6048 0.6048 0.9366 0.9366 1.1732 1.1732 1.2662 1.2662 1.6997 1.6997 1.8589 1.8589 2.2009 2.2009 2.8123 2.8123 3.3974 3.3974 3.7648 3.7648 3.9283 3.9283 4.8886 4.8886 5.1311 5.1311 5.1830 5.1830 5.2475 5.2475 6.2159 6.2159 6.2291 6.2291 6.4688 6.4688 6.4901 6.4901 6.7312 6.7312 12.2267 12.2267 12.2373 12.2373 13.0142 13.0142 15.6479 15.6479 15.8641 15.8641 17.4166 17.4166 k = 0.3485 0.5511 0.4960 ( 3618 PWs) bands (ev): -13.0713 -13.0713 -12.9174 -12.9174 -11.3169 -11.3169 -10.3267 -10.3267 -10.2589 -10.2589 -9.6278 -9.6278 -2.2006 -2.2006 -1.9572 -1.9572 0.4297 0.4297 0.5995 0.5995 0.9471 0.9471 1.1743 1.1743 1.2422 1.2422 1.7033 1.7033 1.8571 1.8571 2.2012 2.2012 2.8099 2.8099 3.3967 3.3967 3.7973 3.7973 3.9074 3.9074 4.8798 4.8798 5.1405 5.1405 5.1770 5.1770 5.2492 5.2492 6.2160 6.2160 6.2292 6.2292 6.4732 6.4732 6.4864 6.4864 6.7296 6.7296 12.2250 12.2250 12.2350 12.2350 13.0109 13.0109 15.6703 15.6703 15.8320 15.8320 17.4243 17.4243 k = 0.3409 0.5642 0.4960 ( 3618 PWs) bands (ev): -13.0341 -13.0341 -12.9553 -12.9553 -11.3183 -11.3183 -10.3099 -10.3099 -10.2754 -10.2754 -9.6274 -9.6274 -2.1399 -2.1399 -2.0165 -2.0165 0.4372 0.4372 0.5973 0.5973 0.9535 0.9535 1.1798 1.1798 1.2227 1.2227 1.7057 1.7057 1.8557 1.8557 2.2006 2.2006 2.8094 2.8094 3.3957 3.3957 3.8258 3.8258 3.8864 3.8864 4.8743 4.8743 5.1486 5.1486 5.1713 5.1713 5.2498 5.2498 6.2166 6.2166 6.2287 6.2287 6.4757 6.4757 6.4843 6.4843 6.7285 6.7285 12.2237 12.2237 12.2338 12.2338 13.0089 13.0089 15.6904 15.6904 15.8061 15.8061 17.4291 17.4291 k = 0.3333 0.5774 0.4960 ( 3612 PWs) bands (ev): -12.9994 -12.9994 -12.9903 -12.9903 -11.3188 -11.3188 -10.2930 -10.2930 -10.2923 -10.2923 -9.6273 -9.6273 -2.0830 -2.0830 -2.0728 -2.0728 0.4395 0.4395 0.5970 0.5970 0.9557 0.9557 1.1843 1.1843 1.2135 1.2135 1.7067 1.7067 1.8552 1.8552 2.2003 2.2003 2.8095 2.8095 3.3953 3.3953 3.8414 3.8414 3.8733 3.8733 4.8725 4.8725 5.1525 5.1525 5.1684 5.1684 5.2499 5.2499 6.2172 6.2172 6.2282 6.2282 6.4763 6.4763 6.4838 6.4838 6.7282 6.7282 12.2233 12.2233 12.2334 12.2334 13.0082 13.0082 15.6999 15.6999 15.7947 15.7947 17.4308 17.4308 k = 0.3333 0.5774 0.4960 ( 3612 PWs) bands (ev): -12.9994 -12.9994 -12.9903 -12.9903 -11.3188 -11.3188 -10.2930 -10.2930 -10.2923 -10.2923 -9.6273 -9.6273 -2.0830 -2.0830 -2.0728 -2.0728 0.4395 0.4395 0.5970 0.5970 0.9557 0.9557 1.1843 1.1843 1.2135 1.2135 1.7067 1.7067 1.8552 1.8552 2.2003 2.2003 2.8095 2.8095 3.3953 3.3953 3.8414 3.8414 3.8733 3.8733 4.8725 4.8725 5.1525 5.1525 5.1684 5.1684 5.2499 5.2499 6.2172 6.2172 6.2282 6.2282 6.4763 6.4763 6.4838 6.4838 6.7282 6.7282 12.2233 12.2233 12.2334 12.2334 13.0082 13.0082 15.6999 15.6999 15.7947 15.7947 17.4308 17.4308 k = 0.3258 0.5642 0.4960 ( 3620 PWs) bands (ev): -13.0353 -13.0353 -12.9540 -12.9540 -11.3183 -11.3183 -10.3105 -10.3105 -10.2749 -10.2749 -9.6274 -9.6274 -2.1412 -2.1412 -2.0152 -2.0152 0.4376 0.4376 0.5967 0.5967 0.9534 0.9534 1.1798 1.1798 1.2228 1.2228 1.7057 1.7057 1.8558 1.8558 2.2009 2.2009 2.8090 2.8090 3.3959 3.3959 3.8269 3.8269 3.8852 3.8852 4.8743 4.8743 5.1491 5.1491 5.1707 5.1707 5.2502 5.2502 6.2161 6.2161 6.2292 6.2292 6.4762 6.4762 6.4838 6.4838 6.7286 6.7286 12.2234 12.2234 12.2341 12.2341 13.0089 13.0089 15.6899 15.6899 15.8066 15.8066 17.4291 17.4291 k = 0.3182 0.5511 0.4960 ( 3616 PWs) bands (ev): -13.0764 -13.0764 -12.9121 -12.9121 -11.3169 -11.3169 -10.3289 -10.3289 -10.2567 -10.2567 -9.6277 -9.6277 -2.2059 -2.2059 -1.9521 -1.9521 0.4329 0.4329 0.5951 0.5951 0.9462 0.9462 1.1749 1.1749 1.2429 1.2429 1.7028 1.7028 1.8578 1.8578 2.2031 2.2031 2.8072 2.8072 3.3979 3.3979 3.8023 3.8023 3.9021 3.9021 4.8791 4.8791 5.1427 5.1427 5.1731 5.1731 5.2523 5.2523 6.2125 6.2125 6.2326 6.2326 6.4760 6.4760 6.4836 6.4836 6.7297 6.7297 12.2228 12.2228 12.2372 12.2372 13.0111 13.0111 15.6676 15.6676 15.8345 15.8345 17.4236 17.4236 k = 0.3106 0.5380 0.4960 ( 3616 PWs) bands (ev): -13.1182 -13.1182 -12.8686 -12.8686 -11.3146 -11.3146 -10.3480 -10.3480 -10.2380 -10.2380 -9.6282 -9.6282 -2.2723 -2.2723 -1.8886 -1.8886 0.4263 0.4263 0.5914 0.5914 0.9336 0.9336 1.1745 1.1745 1.2684 1.2684 1.6981 1.6981 1.8612 1.8612 2.2073 2.2073 2.8032 2.8032 3.4015 3.4015 3.7754 3.7754 3.9169 3.9169 4.8858 4.8858 5.1367 5.1367 5.1725 5.1725 5.2573 5.2573 6.2071 6.2071 6.2377 6.2377 6.4745 6.4745 6.4846 6.4846 6.7317 6.7317 12.2213 12.2213 12.2430 12.2430 13.0148 13.0148 15.6412 15.6412 15.8701 15.8701 17.4144 17.4144 k = 0.3030 0.5249 0.4960 ( 3614 PWs) bands (ev): -13.1607 -13.1607 -12.8236 -12.8236 -11.3115 -11.3115 -10.3676 -10.3676 -10.2190 -10.2190 -9.6288 -9.6288 -2.3402 -2.3402 -1.8249 -1.8249 0.4183 0.4183 0.5855 0.5855 0.9158 0.9158 1.1789 1.1789 1.2983 1.2983 1.6921 1.6921 1.8655 1.8655 2.2137 2.2137 2.7963 2.7963 3.4066 3.4066 3.7472 3.7472 3.9293 3.9293 4.8922 4.8922 5.1332 5.1332 5.1680 5.1680 5.2657 5.2657 6.2002 6.2002 6.2442 6.2442 6.4704 6.4704 6.4878 6.4878 6.7344 6.7344 12.2189 12.2189 12.2512 12.2512 13.0200 13.0200 15.6139 15.6139 15.9101 15.9101 17.4010 17.4010 k = 0.2955 0.5117 0.4960 ( 3614 PWs) bands (ev): -13.2037 -13.2037 -12.7772 -12.7772 -11.3075 -11.3075 -10.3877 -10.3877 -10.1997 -10.1997 -9.6296 -9.6296 -2.4095 -2.4095 -1.7611 -1.7611 0.4094 0.4094 0.5779 0.5779 0.8937 0.8937 1.1865 1.1865 1.3324 1.3324 1.6851 1.6851 1.8705 1.8705 2.2222 2.2222 2.7861 2.7861 3.4132 3.4132 3.7177 3.7177 3.9402 3.9402 4.8957 4.8957 5.1343 5.1343 5.1606 5.1606 5.2772 5.2772 6.1921 6.1921 6.2518 6.2518 6.4642 6.4642 6.4931 6.4931 6.7377 6.7377 12.2159 12.2159 12.2616 12.2616 13.0266 13.0266 15.5867 15.5867 15.9532 15.9532 17.3833 17.3833 k = 0.2879 0.4986 0.4960 ( 3610 PWs) bands (ev): -13.2470 -13.2470 -12.7294 -12.7294 -11.3027 -11.3027 -10.4084 -10.4084 -10.1801 -10.1801 -9.6304 -9.6304 -2.4801 -2.4801 -1.6974 -1.6974 0.3997 0.3997 0.5690 0.5690 0.8688 0.8688 1.1953 1.1953 1.3703 1.3703 1.6777 1.6777 1.8759 1.8759 2.2328 2.2328 2.7723 2.7723 3.4209 3.4209 3.6872 3.6872 3.9510 3.9510 4.8936 4.8936 5.1403 5.1403 5.1529 5.1529 5.2910 5.2910 6.1828 6.1828 6.2605 6.2605 6.4563 6.4563 6.4999 6.4999 6.7414 6.7414 12.2123 12.2123 12.2740 12.2740 13.0348 13.0348 15.5601 15.5601 15.9989 15.9989 17.3614 17.3614 k = 0.2803 0.4855 0.4960 ( 3614 PWs) bands (ev): -13.2906 -13.2906 -12.6804 -12.6804 -11.2972 -11.2972 -10.4295 -10.4295 -10.1602 -10.1602 -9.6314 -9.6314 -2.5520 -2.5520 -1.6340 -1.6340 0.3892 0.3892 0.5595 0.5595 0.8422 0.8422 1.2039 1.2039 1.4113 1.4113 1.6702 1.6702 1.8814 1.8814 2.2451 2.2451 2.7548 2.7548 3.4294 3.4294 3.6553 3.6553 3.9630 3.9630 4.8842 4.8842 5.1365 5.1365 5.1617 5.1617 5.3067 5.3067 6.1722 6.1722 6.2703 6.2703 6.4469 6.4469 6.5081 6.5081 6.7455 6.7455 12.2081 12.2081 12.2884 12.2884 13.0442 13.0442 15.5343 15.5343 16.0467 16.0467 17.3352 17.3352 k = 0.2727 0.4724 0.4960 ( 3618 PWs) bands (ev): -13.3342 -13.3342 -12.6301 -12.6301 -11.2909 -11.2909 -10.4510 -10.4510 -10.1402 -10.1402 -9.6324 -9.6324 -2.6250 -2.6250 -1.5709 -1.5709 0.3780 0.3780 0.5498 0.5498 0.8153 0.8153 1.2114 1.2114 1.4541 1.4541 1.6631 1.6631 1.8871 1.8871 2.2588 2.2588 2.7337 2.7337 3.4380 3.4380 3.6219 3.6219 3.9777 3.9777 4.8673 4.8673 5.1253 5.1253 5.1846 5.1846 5.3241 5.3241 6.1606 6.1606 6.2812 6.2812 6.4362 6.4362 6.5173 6.5173 6.7498 6.7498 12.2033 12.2033 12.3045 12.3045 13.0549 13.0549 15.5094 15.5094 16.0961 16.0961 17.3049 17.3049 k = 0.2652 0.4593 0.4960 ( 3622 PWs) bands (ev): -13.3777 -13.3777 -12.5786 -12.5786 -11.2841 -11.2841 -10.4729 -10.4729 -10.1201 -10.1201 -9.6336 -9.6336 -2.6992 -2.6992 -1.5082 -1.5082 0.3657 0.3657 0.5403 0.5403 0.7890 0.7890 1.2175 1.2175 1.4971 1.4971 1.6572 1.6572 1.8931 1.8931 2.2737 2.2737 2.7091 2.7091 3.4464 3.4464 3.5871 3.5871 3.9966 3.9966 4.8440 4.8440 5.1136 5.1136 5.2138 5.2138 5.3428 5.3428 6.1479 6.1479 6.2930 6.2930 6.4246 6.4246 6.5275 6.5275 6.7541 6.7541 12.1978 12.1978 12.3222 12.3222 13.0667 13.0667 15.4857 15.4857 16.1470 16.1470 17.2707 17.2707 k = 0.2576 0.4461 0.4960 ( 3626 PWs) bands (ev): -13.4211 -13.4211 -12.5260 -12.5260 -11.2766 -11.2766 -10.4950 -10.4950 -10.0998 -10.0998 -9.6348 -9.6348 -2.7743 -2.7743 -1.4460 -1.4460 0.3524 0.3524 0.5314 0.5314 0.7642 0.7642 1.2219 1.2219 1.5373 1.5373 1.6539 1.6539 1.8998 1.8998 2.2893 2.2893 2.6811 2.6811 3.4539 3.4539 3.5510 3.5510 4.0206 4.0206 4.8153 4.8153 5.1023 5.1023 5.2473 5.2473 5.3627 5.3627 6.1343 6.1343 6.3058 6.3058 6.4121 6.4121 6.5383 6.5383 6.7583 6.7583 12.1915 12.1915 12.3415 12.3415 13.0795 13.0795 15.4632 15.4632 16.1989 16.1989 17.2330 17.2330 k = 0.2500 0.4330 0.4960 ( 3630 PWs) bands (ev): -13.4643 -13.4643 -12.4724 -12.4724 -11.2685 -11.2685 -10.5174 -10.5174 -10.0796 -10.0796 -9.6361 -9.6361 -2.8503 -2.8503 -1.3844 -1.3844 0.3379 0.3379 0.5233 0.5233 0.7417 0.7417 1.2247 1.2247 1.5697 1.5697 1.6568 1.6568 1.9077 1.9077 2.3053 2.3053 2.6503 2.6503 3.4583 3.4583 3.5158 3.5158 4.0506 4.0506 4.7821 4.7821 5.0921 5.0921 5.2833 5.2833 5.3839 5.3839 6.1200 6.1200 6.3195 6.3195 6.3991 6.3991 6.5497 6.5497 6.7623 6.7623 12.1843 12.1843 12.3621 12.3621 13.0930 13.0930 15.4422 15.4422 16.2514 16.2514 17.1924 17.1924 k = 0.2424 0.4199 0.4960 ( 3626 PWs) bands (ev): -13.5070 -13.5070 -12.4177 -12.4177 -11.2600 -11.2600 -10.5400 -10.5400 -10.0594 -10.0594 -9.6375 -9.6375 -2.9272 -2.9272 -1.3234 -1.3234 0.3221 0.3221 0.5163 0.5163 0.7219 0.7219 1.2261 1.2261 1.5874 1.5874 1.6707 1.6707 1.9175 1.9175 2.3212 2.3212 2.6168 2.6168 3.4479 3.4479 3.4935 3.4935 4.0868 4.0868 4.7455 4.7455 5.0831 5.0831 5.3204 5.3204 5.4061 5.4061 6.1054 6.1054 6.3339 6.3339 6.3855 6.3855 6.5614 6.5614 6.7661 6.7661 12.1761 12.1761 12.3839 12.3839 13.1069 13.1069 15.4228 15.4228 16.3042 16.3042 17.1493 17.1493 k = 0.2348 0.4068 0.4960 ( 3626 PWs) bands (ev): -13.5493 -13.5493 -12.3623 -12.3623 -11.2510 -11.2510 -10.5626 -10.5626 -10.0393 -10.0393 -9.6390 -9.6390 -3.0047 -3.0047 -1.2630 -1.2630 0.3051 0.3051 0.5107 0.5107 0.7051 0.7051 1.2260 1.2260 1.5913 1.5913 1.6931 1.6931 1.9301 1.9301 2.3366 2.3366 2.5811 2.5811 3.4126 3.4126 3.4949 3.4949 4.1292 4.1292 4.7059 4.7059 5.0757 5.0757 5.3575 5.3575 5.4294 5.4294 6.0908 6.0908 6.3490 6.3490 6.3717 6.3717 6.5734 6.5734 6.7695 6.7695 12.1667 12.1667 12.4068 12.4068 13.1211 13.1211 15.4052 15.4052 16.3569 16.3569 17.1046 17.1046 k = 0.2273 0.3936 0.4960 ( 3634 PWs) bands (ev): -13.5910 -13.5910 -12.3060 -12.3060 -11.2416 -11.2416 -10.5853 -10.5853 -10.0193 -10.0193 -9.6405 -9.6405 -3.0829 -3.0829 -1.2032 -1.2032 0.2869 0.2869 0.5067 0.5067 0.6914 0.6914 1.2246 1.2246 1.5882 1.5882 1.7152 1.7152 1.9459 1.9459 2.3512 2.3512 2.5437 2.5437 3.3681 3.3681 3.5053 3.5053 4.1773 4.1773 4.6640 4.6640 5.0701 5.0701 5.3935 5.3935 5.4537 5.4537 6.0768 6.0768 6.3562 6.3562 6.3659 6.3659 6.5854 6.5854 6.7725 6.7725 12.1559 12.1559 12.4306 12.4306 13.1352 13.1352 15.3898 15.3898 16.4090 16.4090 17.0589 17.0589 k = 0.2197 0.3805 0.4960 ( 3634 PWs) bands (ev): -13.6320 -13.6320 -12.2490 -12.2490 -11.2318 -11.2318 -10.6080 -10.6080 -9.9995 -9.9995 -9.6422 -9.6422 -3.1615 -3.1615 -1.1441 -1.1441 0.2678 0.2678 0.5044 0.5044 0.6809 0.6809 1.2222 1.2222 1.5821 1.5821 1.7326 1.7326 1.9648 1.9648 2.3643 2.3643 2.5051 2.5051 3.3198 3.3198 3.5208 3.5208 4.2301 4.2301 4.6206 4.6206 5.0662 5.0662 5.4272 5.4272 5.4788 5.4788 6.0644 6.0644 6.3423 6.3423 6.3815 6.3815 6.5974 6.5974 6.7751 6.7751 12.1436 12.1436 12.4551 12.4551 13.1488 13.1488 15.3768 15.3768 16.4601 16.4601 17.0131 17.0131 k = 0.2121 0.3674 0.4960 ( 3622 PWs) bands (ev): -13.6723 -13.6723 -12.1913 -12.1913 -11.2217 -11.2217 -10.6305 -10.6305 -9.9800 -9.9800 -9.6440 -9.6440 -3.2406 -3.2406 -1.0855 -1.0855 0.2482 0.2482 0.5041 0.5041 0.6733 0.6733 1.2188 1.2188 1.5746 1.5746 1.7438 1.7438 1.9856 1.9856 2.3752 2.3752 2.4662 2.4662 3.2692 3.2692 3.5413 3.5413 4.2862 4.2862 4.5771 4.5771 5.0642 5.0642 5.4577 5.4577 5.5047 5.5047 6.0544 6.0544 6.3276 6.3276 6.3980 6.3980 6.6093 6.6093 6.7772 6.7772 12.1296 12.1296 12.4803 12.4803 13.1617 13.1617 15.3665 15.3665 16.5097 16.5097 16.9680 16.9680 k = 0.2045 0.3543 0.4960 ( 3616 PWs) bands (ev): -13.7118 -13.7118 -12.1332 -12.1332 -11.2114 -11.2114 -10.6529 -10.6529 -9.9608 -9.9608 -9.6458 -9.6458 -3.3198 -3.3198 -1.0275 -1.0275 0.2286 0.2286 0.5057 0.5057 0.6683 0.6683 1.2145 1.2145 1.5660 1.5660 1.7492 1.7492 2.0065 2.0065 2.3809 2.3809 2.4297 2.4297 3.2166 3.2166 3.5676 3.5676 4.3415 4.3415 4.5367 4.5367 5.0638 5.0638 5.4836 5.4836 5.5312 5.5312 6.0481 6.0481 6.3126 6.3126 6.4148 6.4148 6.6209 6.6209 6.7788 6.7788 12.1137 12.1137 12.5059 12.5059 13.1733 13.1733 15.3592 15.3592 16.5568 16.5568 16.9247 16.9247 k = 0.1970 0.3412 0.4960 ( 3616 PWs) bands (ev): -13.7503 -13.7503 -12.0747 -12.0747 -11.2009 -11.2009 -10.6750 -10.6750 -9.9420 -9.9420 -9.6478 -9.6478 -3.3992 -3.3992 -0.9701 -0.9701 0.2094 0.2094 0.5094 0.5094 0.6658 0.6658 1.2095 1.2095 1.5566 1.5566 1.7498 1.7498 2.0257 2.0257 2.3675 2.3675 2.4099 2.4099 3.1629 3.1629 3.6003 3.6003 4.3824 4.3824 4.5129 4.5129 5.0651 5.0651 5.5039 5.5039 5.5583 5.5583 6.0466 6.0466 6.2973 6.2973 6.4317 6.4317 6.6322 6.6322 6.7800 6.7800 12.0957 12.0957 12.5318 12.5318 13.1835 13.1835 15.3552 15.3552 16.6006 16.6006 16.8846 16.8846 k = 0.1894 0.3280 0.4960 ( 3624 PWs) bands (ev): -13.7879 -13.7879 -12.0159 -12.0159 -11.1902 -11.1902 -10.6969 -10.6969 -9.9236 -9.9236 -9.6499 -9.6499 -3.4784 -3.4784 -0.9133 -0.9133 0.1911 0.1911 0.5150 0.5150 0.6653 0.6653 1.2038 1.2038 1.5462 1.5462 1.7463 1.7463 2.0414 2.0414 2.3321 2.3321 2.4096 2.4096 3.1085 3.1085 3.6398 3.6398 4.3784 4.3784 4.5357 4.5357 5.0679 5.0679 5.5177 5.5177 5.5859 5.5859 6.0509 6.0509 6.2818 6.2818 6.4486 6.4486 6.6432 6.6432 6.7806 6.7806 12.0755 12.0755 12.5578 12.5578 13.1917 13.1917 15.3549 15.3549 16.6389 16.6389 16.8499 16.8499 k = 0.1818 0.3149 0.4960 ( 3620 PWs) bands (ev): -13.8245 -13.8245 -11.9570 -11.9570 -11.1794 -11.1794 -10.7184 -10.7184 -9.9057 -9.9057 -9.6521 -9.6521 -3.5574 -3.5574 -0.8569 -0.8569 0.1740 0.1740 0.5226 0.5226 0.6667 0.6667 1.1976 1.1976 1.5350 1.5350 1.7397 1.7397 2.0524 2.0524 2.2922 2.2922 2.4123 2.4123 3.0540 3.0540 3.6863 3.6863 4.3409 4.3409 4.5930 4.5930 5.0720 5.0720 5.5246 5.5246 5.6141 5.6141 6.0614 6.0614 6.2661 6.2661 6.4654 6.4654 6.6538 6.6538 6.7807 6.7807 12.0530 12.0530 12.5839 12.5839 13.1976 13.1976 15.3584 15.3584 16.6677 16.6677 16.8249 16.8249 k = 0.1742 0.3018 0.4960 ( 3618 PWs) bands (ev): -13.8600 -13.8600 -11.8980 -11.8980 -11.1686 -11.1686 -10.7394 -10.7394 -9.8883 -9.8883 -9.6544 -9.6544 -3.6360 -3.6360 -0.8009 -0.8009 0.1586 0.1586 0.5321 0.5321 0.6698 0.6698 1.1910 1.1910 1.5229 1.5229 1.7303 1.7303 2.0576 2.0576 2.2515 2.2515 2.4144 2.4144 3.0001 3.0001 3.7394 3.7394 4.2937 4.2937 4.6606 4.6606 5.0772 5.0772 5.5252 5.5252 5.6428 5.6428 6.0779 6.0779 6.2503 6.2503 6.4819 6.4819 6.6640 6.6640 6.7803 6.7803 12.0281 12.0281 12.6098 12.6098 13.2010 13.2010 15.3662 15.3662 16.6803 16.6803 16.8165 16.8165 k = 0.1667 0.2887 0.4960 ( 3618 PWs) bands (ev): -13.8943 -13.8943 -11.8392 -11.8392 -11.1577 -11.1577 -10.7600 -10.7600 -9.8715 -9.8715 -9.6568 -9.6568 -3.7140 -3.7140 -0.7454 -0.7454 0.1451 0.1451 0.5433 0.5433 0.6744 0.6744 1.1841 1.1841 1.5095 1.5095 1.7185 1.7185 2.0560 2.0560 2.2111 2.2111 2.4161 2.4161 2.9475 2.9475 3.7985 3.7985 4.2435 4.2435 4.7311 4.7311 5.0834 5.0834 5.5206 5.5206 5.6719 5.6719 6.0994 6.0994 6.2347 6.2347 6.4979 6.4979 6.6738 6.6738 6.7793 6.7793 12.0007 12.0007 12.6355 12.6355 13.2015 13.2015 15.3783 15.3783 16.6748 16.6748 16.8267 16.8267 k = 0.1591 0.2756 0.4960 ( 3608 PWs) bands (ev): -13.9274 -13.9274 -11.7807 -11.7807 -11.1469 -11.1469 -10.7800 -10.7800 -9.8554 -9.8554 -9.6593 -9.6593 -3.7912 -3.7912 -0.6903 -0.6903 0.1338 0.1338 0.5561 0.5561 0.6803 0.6803 1.1769 1.1769 1.4950 1.4950 1.7048 1.7048 2.0472 2.0472 2.1716 2.1716 2.4177 2.4177 2.8968 2.8968 3.8626 3.8626 4.1926 4.1926 4.8015 4.8015 5.0905 5.0905 5.5127 5.5127 5.7013 5.7013 6.1241 6.1241 6.2202 6.2202 6.5135 6.5135 6.6831 6.6831 6.7779 6.7779 11.9707 11.9707 12.6608 12.6608 13.1990 13.1990 15.3949 15.3949 16.6597 16.6597 16.8470 16.8470 k = 0.1515 0.2624 0.4960 ( 3608 PWs) bands (ev): -13.9593 -13.9593 -11.7227 -11.7227 -11.1362 -11.1362 -10.7995 -10.7995 -9.8400 -9.8400 -9.6619 -9.6619 -3.8672 -3.8672 -0.6356 -0.6356 0.1249 0.1249 0.5704 0.5704 0.6875 0.6875 1.1696 1.1696 1.4789 1.4789 1.6894 1.6894 2.0305 2.0305 2.1331 2.1331 2.4196 2.4196 2.8487 2.8487 3.9297 3.9297 4.1430 4.1430 4.8695 4.8695 5.0982 5.0982 5.5039 5.5039 5.7309 5.7309 6.1468 6.1468 6.2109 6.2109 6.5284 6.5284 6.6920 6.6920 6.7760 6.7760 11.9383 11.9383 12.6856 12.6856 13.1934 13.1934 15.4161 15.4161 16.6428 16.6428 16.8693 16.8693 k = 0.1439 0.2493 0.4960 ( 3604 PWs) bands (ev): -13.9899 -13.9899 -11.6653 -11.6653 -11.1256 -11.1256 -10.8183 -10.8183 -9.8252 -9.8252 -9.6645 -9.6645 -3.9420 -3.9420 -0.5813 -0.5813 0.1186 0.1186 0.5860 0.5860 0.6958 0.6958 1.1621 1.1621 1.4611 1.4611 1.6725 1.6725 2.0063 2.0063 2.0958 2.0958 2.4223 2.4223 2.8036 2.8036 3.9928 3.9928 4.1014 4.1014 4.9329 4.9329 5.1064 5.1064 5.4969 5.4969 5.7604 5.7604 6.1545 6.1545 6.2187 6.2187 6.5426 6.5426 6.7006 6.7006 6.7736 6.7736 11.9035 11.9035 12.7099 12.7099 13.1847 13.1847 15.4420 15.4420 16.6279 16.6279 16.8897 16.8897 k = 0.1364 0.2362 0.4960 ( 3596 PWs) bands (ev): -14.0191 -14.0191 -11.6087 -11.6087 -11.1152 -11.1152 -10.8364 -10.8364 -9.8113 -9.8113 -9.6672 -9.6672 -4.0153 -4.0153 -0.5273 -0.5273 0.1150 0.1150 0.6027 0.6027 0.7053 0.7053 1.1546 1.1546 1.4413 1.4413 1.6547 1.6547 1.9754 1.9754 2.0593 2.0593 2.4258 2.4258 2.7620 2.7620 4.0080 4.0080 4.1112 4.1112 4.9885 4.9885 5.1149 5.1149 5.4951 5.4951 5.7899 5.7899 6.1444 6.1444 6.2458 6.2458 6.5558 6.5558 6.7087 6.7087 6.7708 6.7708 11.8664 11.8664 12.7334 12.7334 13.1729 13.1729 15.4723 15.4723 16.6163 16.6163 16.9061 16.9061 k = 0.1288 0.2231 0.4960 ( 3596 PWs) bands (ev): -14.0470 -14.0470 -11.5532 -11.5532 -11.1051 -11.1051 -10.8537 -10.8537 -9.7981 -9.7981 -9.6699 -9.6699 -4.0868 -4.0868 -0.4738 -0.4738 0.1141 0.1141 0.6202 0.6202 0.7159 0.7159 1.1471 1.1471 1.4195 1.4195 1.6361 1.6361 1.9391 1.9391 2.0227 2.0227 2.4301 2.4301 2.7241 2.7241 3.9692 3.9692 4.1781 4.1781 5.0330 5.0330 5.1236 5.1236 5.5021 5.5021 5.8191 5.8191 6.1275 6.1275 6.2802 6.2802 6.5680 6.5680 6.7166 6.7166 6.7675 6.7675 11.8273 11.8273 12.7561 12.7561 13.1582 13.1582 15.5071 15.5071 16.6089 16.6089 16.9172 16.9172 k = 0.1212 0.2099 0.4960 ( 3608 PWs) bands (ev): -14.0734 -14.0734 -11.4989 -11.4989 -11.0952 -11.0952 -10.8703 -10.8703 -9.7859 -9.7859 -9.6726 -9.6726 -4.1563 -4.1563 -0.4207 -0.4207 0.1160 0.1160 0.6382 0.6382 0.7275 0.7275 1.1396 1.1396 1.3954 1.3954 1.6171 1.6171 1.8989 1.8989 1.9858 1.9858 2.4350 2.4350 2.6901 2.6901 3.9223 3.9223 4.2557 4.2557 5.0636 5.0636 5.1324 5.1324 5.5210 5.5210 5.8479 5.8479 6.1080 6.1080 6.3171 6.3171 6.5790 6.5790 6.7241 6.7241 6.7638 6.7638 11.7864 11.7864 12.7779 12.7779 13.1409 13.1409 15.5460 15.5460 16.6059 16.6059 16.9223 16.9223 k = 0.1136 0.1968 0.4960 ( 3612 PWs) bands (ev): -14.0984 -14.0984 -11.4460 -11.4460 -11.0856 -11.0856 -10.8860 -10.8860 -9.7744 -9.7744 -9.6754 -9.6754 -4.2234 -4.2234 -0.3682 -0.3682 0.1208 0.1208 0.6564 0.6564 0.7404 0.7404 1.1322 1.1322 1.3691 1.3691 1.5977 1.5977 1.8558 1.8558 1.9485 1.9485 2.4404 2.4404 2.6599 2.6599 3.8748 3.8748 4.3360 4.3360 5.0795 5.0795 5.1411 5.1411 5.5527 5.5527 5.8763 5.8763 6.0870 6.0870 6.3550 6.3550 6.5888 6.5888 6.7313 6.7313 6.7598 6.7598 11.7440 11.7440 12.7987 12.7987 13.1214 13.1214 15.5888 15.5888 16.6073 16.6073 16.9214 16.9214 k = 0.1061 0.1837 0.4960 ( 3608 PWs) bands (ev): -14.1219 -14.1219 -11.3948 -11.3948 -11.0765 -11.0765 -10.9009 -10.9009 -9.7639 -9.7639 -9.6781 -9.6781 -4.2880 -4.2880 -0.3163 -0.3163 0.1284 0.1284 0.6745 0.6745 0.7545 0.7545 1.1249 1.1249 1.3408 1.3408 1.5782 1.5782 1.8107 1.8107 1.9113 1.9113 2.4461 2.4461 2.6335 2.6335 3.8284 3.8284 4.4170 4.4170 5.0825 5.0825 5.1498 5.1498 5.5952 5.5952 5.9040 5.9040 6.0649 6.0649 6.3931 6.3931 6.5974 6.5974 6.7380 6.7380 6.7559 6.7559 11.7007 11.7007 12.8185 12.8185 13.1000 13.1000 15.6352 15.6352 16.6129 16.6129 16.9153 16.9153 k = 0.0985 0.1706 0.4960 ( 3608 PWs) bands (ev): -14.1440 -14.1440 -11.3456 -11.3456 -11.0677 -11.0677 -10.9148 -10.9148 -9.7543 -9.7543 -9.6808 -9.6808 -4.3497 -4.3497 -0.2652 -0.2652 0.1387 0.1387 0.6918 0.6918 0.7699 0.7699 1.1176 1.1176 1.3109 1.3109 1.5583 1.5583 1.7641 1.7641 1.8746 1.8746 2.4518 2.4518 2.6106 2.6106 3.7835 3.7835 4.4977 4.4977 5.0761 5.0761 5.1582 5.1582 5.6453 5.6453 5.9309 5.9309 6.0417 6.0417 6.4309 6.4309 6.6045 6.6045 6.7430 6.7430 6.7533 6.7533 11.6566 11.6566 12.8371 12.8371 13.0772 13.0772 15.6848 15.6848 16.6223 16.6223 16.9053 16.9053 k = 0.0909 0.1575 0.4960 ( 3620 PWs) bands (ev): -14.1645 -14.1645 -11.2986 -11.2986 -11.0595 -11.0595 -10.9278 -10.9278 -9.7455 -9.7455 -9.6834 -9.6834 -4.4082 -4.4082 -0.2150 -0.2150 0.1517 0.1517 0.7081 0.7081 0.7865 0.7865 1.1102 1.1102 1.2800 1.2800 1.5380 1.5380 1.7166 1.7166 1.8390 1.8390 2.4574 2.4574 2.5910 2.5910 3.7407 3.7407 4.5773 4.5773 5.0634 5.0634 5.1663 5.1663 5.6994 5.6994 5.9569 5.9569 6.0176 6.0176 6.4677 6.4677 6.6104 6.6104 6.7429 6.7429 6.7557 6.7557 11.6124 11.6124 12.8546 12.8546 13.0534 13.0534 15.7371 15.7371 16.6349 16.6349 16.8934 16.8934 k = 0.0833 0.1443 0.4960 ( 3616 PWs) bands (ev): -14.1834 -14.1834 -11.2540 -11.2540 -11.0518 -11.0518 -10.9397 -10.9397 -9.7377 -9.7377 -9.6859 -9.6859 -4.4634 -4.4634 -0.1660 -0.1660 0.1673 0.1673 0.7231 0.7231 0.8042 0.8042 1.1024 1.1024 1.2492 1.2492 1.5171 1.5171 1.6689 1.6689 1.8052 1.8052 2.4627 2.4627 2.5744 2.5744 3.7002 3.7002 4.6552 4.6552 5.0473 5.0473 5.1741 5.1741 5.7549 5.7549 5.9819 5.9819 5.9928 5.9928 6.5030 6.5030 6.6149 6.6149 6.7396 6.7396 6.7614 6.7614 11.5687 11.5687 12.8708 12.8708 13.0292 13.0292 15.7917 15.7917 16.6497 16.6497 16.8813 16.8813 k = 0.0758 0.1312 0.4960 ( 3618 PWs) bands (ev): -14.2007 -14.2007 -11.2122 -11.2122 -11.0446 -11.0446 -10.9506 -10.9506 -9.7307 -9.7307 -9.6882 -9.6882 -4.5148 -4.5148 -0.1184 -0.1184 0.1851 0.1851 0.7364 0.7364 0.8223 0.8223 1.0935 1.0935 1.2200 1.2200 1.4952 1.4952 1.6215 1.6215 1.7737 1.7737 2.4675 2.4675 2.5607 2.5607 3.6623 3.6623 4.7307 4.7307 5.0296 5.0296 5.1814 5.1814 5.8095 5.8095 5.9673 5.9673 6.0056 6.0056 6.5358 6.5358 6.6183 6.6183 6.7364 6.7364 6.7675 6.7675 11.5258 11.5258 12.8858 12.8858 13.0050 13.0050 15.8482 15.8482 16.6648 16.6648 16.8714 16.8714 k = 0.0682 0.1181 0.4960 ( 3622 PWs) bands (ev): -14.2165 -14.2165 -11.1734 -11.1734 -11.0381 -11.0381 -10.9603 -10.9603 -9.7246 -9.7246 -9.6904 -9.6904 -4.5623 -4.5623 -0.0725 -0.0725 0.2051 0.2051 0.7481 0.7481 0.8397 0.8397 1.0830 1.0830 1.1947 1.1947 1.4721 1.4721 1.5748 1.5748 1.7450 1.7450 2.4716 2.4716 2.5495 2.5495 3.6272 3.6272 4.8027 4.8027 5.0120 5.0120 5.1881 5.1881 5.8608 5.8608 5.9426 5.9426 6.0279 6.0279 6.5652 6.5652 6.6206 6.6206 6.7345 6.7345 6.7735 6.7735 11.4845 11.4845 12.8994 12.8994 12.9815 12.9815 15.9060 15.9060 16.6779 16.6779 16.8661 16.8661 k = 0.0606 0.1050 0.4960 ( 3610 PWs) bands (ev): -14.2306 -14.2306 -11.1379 -11.1379 -11.0323 -11.0323 -10.9688 -10.9688 -9.7194 -9.7194 -9.6925 -9.6925 -4.6056 -4.6056 -0.0287 -0.0287 0.2269 0.2269 0.7582 0.7582 0.8550 0.8550 1.0705 1.0705 1.1755 1.1755 1.4478 1.4478 1.5296 1.5296 1.7195 1.7195 2.4749 2.4749 2.5409 2.5409 3.5952 3.5952 4.8695 4.8695 4.9969 4.9969 5.1944 5.1944 5.8949 5.8949 5.9314 5.9314 6.0486 6.0486 6.5897 6.5897 6.6222 6.6222 6.7351 6.7351 6.7793 6.7793 11.4454 11.4454 12.9117 12.9117 12.9590 12.9590 15.9645 15.9645 16.6859 16.6859 16.8681 16.8681 k = 0.0530 0.0919 0.4960 ( 3606 PWs) bands (ev): -14.2432 -14.2432 -11.1061 -11.1061 -11.0273 -11.0273 -10.9759 -10.9759 -9.7150 -9.7150 -9.6943 -9.6943 -4.6444 -4.6444 0.0124 0.0124 0.2500 0.2500 0.7664 0.7664 0.8654 0.8654 1.0582 1.0582 1.1636 1.1636 1.4219 1.4219 1.4865 1.4865 1.6974 1.6974 2.4771 2.4771 2.5346 2.5346 3.5665 3.5665 4.9229 4.9229 4.9923 4.9923 5.2000 5.2000 5.8789 5.8789 5.9661 5.9661 6.0676 6.0676 6.6073 6.6073 6.6235 6.6235 6.7395 6.7395 6.7847 6.7847 11.4090 11.4090 12.9226 12.9226 12.9380 12.9380 16.0231 16.0231 16.6865 16.6865 16.8790 16.8790 k = 0.0455 0.0787 0.4960 ( 3614 PWs) bands (ev): -14.2540 -14.2540 -11.0783 -11.0783 -11.0232 -11.0232 -10.9815 -10.9815 -9.7113 -9.7113 -9.6959 -9.6959 -4.6786 -4.6786 0.0503 0.0503 0.2740 0.2740 0.7728 0.7728 0.8678 0.8678 1.0506 1.0506 1.1582 1.1582 1.3943 1.3943 1.4461 1.4461 1.6786 1.6786 2.4783 2.4783 2.5303 2.5303 3.5412 3.5412 4.9389 4.9389 5.0222 5.0222 5.2049 5.2049 5.8528 5.8528 6.0063 6.0063 6.0848 6.0848 6.6161 6.6161 6.6259 6.6259 6.7481 6.7481 6.7896 6.7896 11.3760 11.3760 12.9188 12.9188 12.9322 12.9322 16.0811 16.0811 16.6794 16.6794 16.8975 16.8975 k = 0.0379 0.0656 0.4960 ( 3618 PWs) bands (ev): -14.2632 -14.2632 -11.0551 -11.0551 -11.0201 -11.0201 -10.9851 -10.9851 -9.7084 -9.7084 -9.6972 -9.6972 -4.7078 -4.7078 0.0843 0.0843 0.2981 0.2981 0.7774 0.7774 0.8605 0.8605 1.0518 1.0518 1.1578 1.1578 1.3650 1.3650 1.4098 1.4098 1.6632 1.6632 2.4785 2.4785 2.5277 2.5277 3.5196 3.5196 4.9320 4.9320 5.0714 5.0714 5.2092 5.2092 5.8262 5.8262 6.0423 6.0423 6.0999 6.0999 6.6178 6.6178 6.6288 6.6288 6.7597 6.7597 6.7940 6.7940 11.3469 11.3469 12.9020 12.9020 12.9402 12.9402 16.1374 16.1374 16.6660 16.6660 16.9194 16.9194 k = 0.0303 0.0525 0.4960 ( 3622 PWs) bands (ev): -14.2708 -14.2708 -11.0372 -11.0372 -11.0178 -11.0178 -10.9863 -10.9863 -9.7063 -9.7063 -9.6981 -9.6981 -4.7320 -4.7320 0.1137 0.1137 0.3214 0.3214 0.7804 0.7804 0.8455 0.8455 1.0617 1.0617 1.1611 1.1611 1.3342 1.3342 1.3785 1.3785 1.6509 1.6509 2.4782 2.4782 2.5264 2.5264 3.5017 3.5017 4.9224 4.9224 5.1190 5.1190 5.2127 5.2127 5.8007 5.8007 6.0726 6.0726 6.1130 6.1130 6.6171 6.6171 6.6297 6.6297 6.7720 6.7720 6.7981 6.7981 11.3222 11.3222 12.8877 12.8877 12.9468 12.9468 16.1909 16.1909 16.6481 16.6481 16.9374 16.9374 k = 0.0227 0.0394 0.4960 ( 3620 PWs) bands (ev): -14.2767 -14.2767 -11.0261 -11.0261 -11.0151 -11.0151 -10.9852 -10.9852 -9.7050 -9.7050 -9.6985 -9.6985 -4.7510 -4.7510 0.1377 0.1377 0.3424 0.3424 0.7818 0.7818 0.8277 0.8277 1.0775 1.0775 1.1667 1.1667 1.3034 1.3034 1.3527 1.3527 1.6416 1.6416 2.4776 2.4776 2.5259 2.5259 3.4876 3.4876 4.9139 4.9139 5.1599 5.1599 5.2156 5.2156 5.7780 5.7780 6.0962 6.0962 6.1242 6.1242 6.6157 6.6157 6.6292 6.6292 6.7827 6.7827 6.8019 6.8019 11.3026 11.3026 12.8764 12.8764 12.9520 12.9520 16.2398 16.2398 16.6275 16.6275 16.9442 16.9442 k = 0.0152 0.0262 0.4960 ( 3616 PWs) bands (ev): -14.2809 -14.2809 -11.0222 -11.0222 -11.0112 -11.0112 -10.9822 -10.9822 -9.7043 -9.7043 -9.6986 -9.6986 -4.7647 -4.7647 0.1554 0.1554 0.3596 0.3596 0.7813 0.7813 0.8121 0.8121 1.0955 1.0955 1.1731 1.1731 1.2751 1.2751 1.3326 1.3326 1.6352 1.6352 2.4770 2.4770 2.5258 2.5258 3.4775 3.4775 4.9075 4.9075 5.1914 5.1914 5.2178 5.2178 5.7596 5.7596 6.1122 6.1122 6.1337 6.1337 6.6143 6.6143 6.6282 6.6282 6.7903 6.7903 6.8057 6.8057 11.2882 11.2882 12.8681 12.8681 12.9557 12.9557 16.2809 16.2809 16.6069 16.6069 16.9416 16.9416 k = 0.0076 0.0131 0.4960 ( 3608 PWs) bands (ev): -14.2834 -14.2834 -11.0214 -11.0214 -11.0084 -11.0084 -10.9792 -10.9792 -9.7040 -9.7040 -9.6986 -9.6986 -4.7729 -4.7729 0.1664 0.1664 0.3711 0.3711 0.7793 0.7793 0.8027 0.8027 1.1109 1.1109 1.1786 1.1786 1.2536 1.2536 1.3194 1.3194 1.6314 1.6314 2.4766 2.4766 2.5259 2.5259 3.4714 3.4714 4.9036 4.9036 5.2106 5.2106 5.2200 5.2200 5.7474 5.7474 6.1208 6.1208 6.1406 6.1406 6.6131 6.6131 6.6274 6.6274 6.7944 6.7944 6.8088 6.8088 11.2795 11.2795 12.8631 12.8631 12.9579 12.9579 16.3098 16.3098 16.5906 16.5906 16.9372 16.9372 k = 0.0000 0.0000 0.4960 ( 3596 PWs) bands (ev): -14.2843 -14.2843 -11.0213 -11.0213 -11.0075 -11.0075 -10.9780 -10.9780 -9.7040 -9.7040 -9.6985 -9.6985 -4.7756 -4.7756 0.1701 0.1701 0.3751 0.3751 0.7779 0.7779 0.8000 0.8000 1.1174 1.1174 1.1808 1.1808 1.2450 1.2450 1.3147 1.3147 1.6302 1.6302 2.4765 2.4765 2.5260 2.5260 3.4694 3.4694 4.9023 4.9023 5.2156 5.2156 5.2223 5.2223 5.7432 5.7432 6.1235 6.1235 6.1432 6.1432 6.6127 6.6127 6.6271 6.6271 6.7956 6.7956 6.8101 6.8101 11.2766 11.2766 12.8614 12.8614 12.9587 12.9587 16.3205 16.3205 16.5841 16.5841 16.9353 16.9353 k = 0.5000 0.2887 0.4960 ( 3608 PWs) bands (ev): -13.4459 -13.4459 -12.5302 -12.5302 -11.2119 -11.2119 -10.5035 -10.5035 -10.0641 -10.0641 -9.6828 -9.6828 -2.8989 -2.8989 -1.3291 -1.3291 0.0585 0.0585 0.6436 0.6436 0.9976 0.9976 1.4232 1.4232 1.4777 1.4777 1.6392 1.6392 1.9155 1.9155 2.1690 2.1690 2.6750 2.6750 3.2474 3.2474 3.6953 3.6953 4.0145 4.0145 4.9704 4.9704 5.0233 5.0233 5.0816 5.0816 5.4153 5.4153 6.0957 6.0957 6.3628 6.3628 6.4020 6.4020 6.4774 6.4774 6.7693 6.7693 12.2010 12.2010 12.4265 12.4265 13.1277 13.1277 15.4932 15.4932 16.5506 16.5506 17.0289 17.0290 k = 0.5000 0.2887 0.4810 ( 3608 PWs) bands (ev): -13.4460 -13.4460 -12.5304 -12.5304 -11.2120 -11.2120 -10.5032 -10.5032 -10.0638 -10.0638 -9.6828 -9.6828 -2.8991 -2.8991 -1.3286 -1.3286 0.0594 0.0594 0.6442 0.6442 0.9974 0.9974 1.4176 1.4176 1.4834 1.4834 1.6385 1.6385 1.9122 1.9122 2.1690 2.1690 2.6792 2.6792 3.2423 3.2423 3.6960 3.6960 4.0157 4.0157 4.9649 4.9649 5.0036 5.0036 5.1062 5.1062 5.4152 5.4152 6.0986 6.0986 6.3615 6.3615 6.3962 6.3962 6.4832 6.4832 6.7697 6.7697 12.2008 12.2008 12.4262 12.4262 13.1289 13.1289 15.4935 15.4935 16.5458 16.5458 17.0339 17.0339 k = 0.5000 0.2887 0.4659 ( 3612 PWs) bands (ev): -13.4463 -13.4463 -12.5309 -12.5309 -11.2121 -11.2121 -10.5026 -10.5026 -10.0627 -10.0627 -9.6827 -9.6827 -2.8997 -2.8997 -1.3272 -1.3272 0.0621 0.0621 0.6457 0.6457 0.9968 0.9968 1.4047 1.4047 1.4961 1.4961 1.6364 1.6364 1.9028 1.9028 2.1688 2.1688 2.6917 2.6917 3.2272 3.2272 3.6981 3.6981 4.0192 4.0192 4.9479 4.9479 4.9744 4.9744 5.1509 5.1509 5.4149 5.4149 6.1072 6.1072 6.3576 6.3576 6.3822 6.3822 6.4972 6.4972 6.7708 6.7708 12.2004 12.2004 12.4252 12.4252 13.1325 13.1325 15.4944 15.4944 16.5319 16.5319 17.0479 17.0479 k = 0.5000 0.2887 0.4509 ( 3616 PWs) bands (ev): -13.4469 -13.4469 -12.5318 -12.5318 -11.2123 -11.2123 -10.5015 -10.5015 -10.0610 -10.0610 -9.6827 -9.6827 -2.9007 -2.9007 -1.3249 -1.3249 0.0665 0.0665 0.6483 0.6483 0.9958 0.9958 1.3893 1.3893 1.5111 1.5111 1.6328 1.6328 1.8887 1.8887 2.1682 2.1682 2.7116 2.7116 3.2027 3.2027 3.7014 3.7014 4.0248 4.0248 4.9214 4.9214 4.9476 4.9476 5.2021 5.2021 5.4145 5.4145 6.1208 6.1208 6.3510 6.3510 6.3649 6.3649 6.5148 6.5148 6.7726 6.7726 12.1999 12.1999 12.4237 12.4237 13.1383 13.1383 15.4958 15.4958 16.5106 16.5106 17.0693 17.0693 k = 0.5000 0.2887 0.4359 ( 3614 PWs) bands (ev): -13.4476 -13.4476 -12.5330 -12.5330 -11.2126 -11.2126 -10.5000 -10.5000 -10.0587 -10.0587 -9.6826 -9.6826 -2.9020 -2.9020 -1.3217 -1.3217 0.0728 0.0728 0.6519 0.6519 0.9943 0.9943 1.3733 1.3733 1.5263 1.5263 1.6276 1.6276 1.8716 1.8716 2.1669 2.1669 2.7378 2.7378 3.1699 3.1699 3.7059 3.7059 4.0319 4.0319 4.8915 4.8915 4.9199 4.9199 5.2575 5.2575 5.4142 5.4142 6.1382 6.1382 6.3408 6.3408 6.3474 6.3474 6.5339 6.5339 6.7749 6.7749 12.1994 12.1994 12.4215 12.4215 13.1461 13.1461 15.4978 15.4978 16.4839 16.4839 17.0956 17.0956 k = 0.5000 0.2887 0.4208 ( 3616 PWs) bands (ev): -13.4486 -13.4486 -12.5345 -12.5345 -11.2130 -11.2130 -10.4981 -10.4981 -10.0557 -10.0557 -9.6825 -9.6825 -2.9037 -2.9037 -1.3175 -1.3175 0.0807 0.0807 0.6563 0.6563 0.9923 0.9923 1.3574 1.3574 1.5406 1.5406 1.6205 1.6205 1.8536 1.8536 2.1648 2.1648 2.7686 2.7686 3.1297 3.1297 3.7113 3.7113 4.0402 4.0402 4.8604 4.8604 4.8905 4.8905 5.3163 5.3163 5.4142 5.4142 6.1583 6.1583 6.3239 6.3239 6.3344 6.3344 6.5535 6.5535 6.7774 6.7774 12.1990 12.1990 12.4186 12.4186 13.1559 13.1559 15.5004 15.5004 16.4534 16.4534 17.1247 17.1247 k = 0.5000 0.2887 0.4058 ( 3610 PWs) bands (ev): -13.4498 -13.4498 -12.5363 -12.5363 -11.2135 -11.2135 -10.4958 -10.4958 -10.0521 -10.0521 -9.6823 -9.6823 -2.9058 -2.9058 -1.3125 -1.3125 0.0903 0.0903 0.6616 0.6616 0.9899 0.9899 1.3421 1.3421 1.5525 1.5525 1.6119 1.6119 1.8368 1.8368 2.1617 2.1617 2.8028 2.8028 3.0836 3.0836 3.7175 3.7175 4.0492 4.0492 4.8270 4.8270 4.8618 4.8618 5.3768 5.3768 5.4157 5.4157 6.1799 6.1799 6.3046 6.3046 6.3222 6.3222 6.5733 6.5733 6.7801 6.7801 12.1992 12.1992 12.4152 12.4152 13.1672 13.1672 15.5034 15.5034 16.4205 16.4205 17.1544 17.1544 k = 0.5000 0.2887 0.3908 ( 3596 PWs) bands (ev): -13.4511 -13.4511 -12.5385 -12.5385 -11.2141 -11.2141 -10.4932 -10.4932 -10.0479 -10.0479 -9.6822 -9.6822 -2.9081 -2.9081 -1.3066 -1.3066 0.1016 0.1016 0.6675 0.6675 0.9869 0.9869 1.3277 1.3277 1.5594 1.5594 1.6039 1.6039 1.8229 1.8229 2.1578 2.1578 2.8386 2.8386 3.0330 3.0330 3.7239 3.7239 4.0585 4.0585 4.7905 4.7905 4.8359 4.8359 5.4110 5.4110 5.4461 5.4461 6.2015 6.2015 6.2853 6.2853 6.3094 6.3094 6.5930 6.5930 6.7826 6.7826 12.1999 12.1999 12.4112 12.4112 13.1799 13.1799 15.5068 15.5068 16.3862 16.3862 17.1817 17.1817 k = 0.5000 0.2887 0.3757 ( 3596 PWs) bands (ev): -13.4526 -13.4526 -12.5408 -12.5408 -11.2147 -11.2147 -10.4902 -10.4902 -10.0431 -10.0431 -9.6820 -9.6820 -2.9108 -2.9108 -1.2999 -1.2999 0.1144 0.1144 0.6739 0.6739 0.9832 0.9832 1.3142 1.3142 1.5562 1.5562 1.6008 1.6008 1.8130 1.8130 2.1531 2.1531 2.8729 2.8729 2.9807 2.9807 3.7303 3.7303 4.0680 4.0680 4.7521 4.7521 4.8131 4.8131 5.4133 5.4133 5.5104 5.5104 6.2215 6.2215 6.2666 6.2666 6.2964 6.2964 6.6125 6.6125 6.7849 6.7849 12.2016 12.2016 12.4067 12.4067 13.1937 13.1937 15.5106 15.5106 16.3512 16.3512 17.2006 17.2007 k = 0.5000 0.2887 0.3607 ( 3596 PWs) bands (ev): -13.4543 -13.4543 -12.5435 -12.5435 -11.2154 -11.2154 -10.4868 -10.4868 -10.0379 -10.0379 -9.6818 -9.6818 -2.9137 -2.9137 -1.2924 -1.2924 0.1287 0.1287 0.6805 0.6805 0.9788 0.9788 1.3020 1.3020 1.5423 1.5423 1.6036 1.6036 1.8077 1.8077 2.1476 2.1476 2.8875 2.8875 2.9447 2.9447 3.7361 3.7361 4.0774 4.0774 4.7138 4.7138 4.7927 4.7927 5.4143 5.4143 5.5772 5.5772 6.2357 6.2357 6.2508 6.2508 6.2851 6.2851 6.6316 6.6316 6.7866 6.7866 12.2045 12.2045 12.4017 12.4017 13.2082 13.2082 15.5148 15.5148 16.3160 16.3160 17.1886 17.1886 k = 0.5000 0.2887 0.3457 ( 3612 PWs) bands (ev): -13.4561 -13.4561 -12.5463 -12.5463 -11.2161 -11.2161 -10.4833 -10.4833 -10.0322 -10.0322 -9.6816 -9.6816 -2.9169 -2.9169 -1.2842 -1.2842 0.1443 0.1443 0.6872 0.6872 0.9737 0.9737 1.2910 1.2910 1.5227 1.5227 1.6079 1.6079 1.8066 1.8066 2.1417 2.1417 2.8440 2.8440 2.9630 2.9630 3.7407 3.7407 4.0866 4.0866 4.6776 4.6776 4.7740 4.7740 5.4154 5.4154 5.6447 5.6447 6.2275 6.2275 6.2483 6.2483 6.2813 6.2813 6.6504 6.6504 6.7877 6.7877 12.2086 12.2086 12.3961 12.3961 13.2232 13.2232 15.5192 15.5192 16.2808 16.2808 17.1379 17.1379 k = 0.5000 0.2887 0.3307 ( 3610 PWs) bands (ev): -13.4580 -13.4580 -12.5493 -12.5493 -11.2169 -11.2169 -10.4794 -10.4794 -10.0262 -10.0262 -9.6814 -9.6814 -2.9203 -2.9203 -1.2753 -1.2753 0.1613 0.1613 0.6937 0.6937 0.9679 0.9679 1.2814 1.2814 1.5010 1.5010 1.6118 1.6118 1.8093 1.8093 2.1355 2.1355 2.7838 2.7838 2.9941 2.9941 3.7436 3.7436 4.0957 4.0957 4.6456 4.6456 4.7568 4.7568 5.4164 5.4164 5.7119 5.7119 6.2120 6.2120 6.2407 6.2407 6.2888 6.2888 6.6687 6.6687 6.7880 6.7880 12.2142 12.2142 12.3902 12.3902 13.2385 13.2385 15.5237 15.5237 16.2459 16.2459 17.0769 17.0769 k = 0.5000 0.2887 0.3156 ( 3608 PWs) bands (ev): -13.4600 -13.4600 -12.5525 -12.5525 -11.2178 -11.2178 -10.4754 -10.4754 -10.0198 -10.0198 -9.6812 -9.6812 -2.9239 -2.9239 -1.2657 -1.2657 0.1794 0.1794 0.6997 0.6997 0.9614 0.9614 1.2731 1.2731 1.4791 1.4791 1.6146 1.6146 1.8148 1.8148 2.1292 2.1292 2.7204 2.7204 3.0238 3.0238 3.7444 3.7444 4.1045 4.1045 4.6191 4.6191 4.7407 4.7407 5.4174 5.4174 5.7778 5.7778 6.1978 6.1978 6.2285 6.2285 6.2988 6.2988 6.6864 6.6864 6.7875 6.7875 12.2215 12.2215 12.3839 12.3839 13.2539 13.2539 15.5284 15.5284 16.2114 16.2114 17.0147 17.0147 k = 0.5000 0.2887 0.3006 ( 3612 PWs) bands (ev): -13.4621 -13.4621 -12.5558 -12.5558 -11.2186 -11.2186 -10.4711 -10.4711 -10.0131 -10.0131 -9.6810 -9.6810 -2.9276 -2.9276 -1.2554 -1.2554 0.1987 0.1987 0.7050 0.7050 0.9543 0.9543 1.2659 1.2659 1.4582 1.4582 1.6164 1.6164 1.8222 1.8222 2.1231 2.1231 2.6560 2.6560 3.0495 3.0495 3.7429 3.7429 4.1130 4.1130 4.5998 4.5998 4.7255 4.7255 5.4184 5.4184 5.8409 5.8409 6.1862 6.1862 6.2156 6.2156 6.3068 6.3068 6.7036 6.7036 6.7858 6.7858 12.2304 12.2304 12.3773 12.3773 13.2691 13.2691 15.5331 15.5331 16.1773 16.1773 16.9532 16.9532 k = 0.5000 0.2887 0.2856 ( 3604 PWs) bands (ev): -13.4643 -13.4643 -12.5592 -12.5592 -11.2195 -11.2195 -10.4667 -10.4667 -10.0062 -10.0062 -9.6808 -9.6808 -2.9315 -2.9315 -1.2447 -1.2447 0.2188 0.2188 0.7093 0.7093 0.9467 0.9467 1.2595 1.2595 1.4396 1.4396 1.6176 1.6176 1.8306 1.8306 2.1173 2.1173 2.5914 2.5914 3.0694 3.0694 3.7394 3.7394 4.1212 4.1212 4.5885 4.5885 4.7112 4.7112 5.4193 5.4193 5.8992 5.8992 6.1792 6.1792 6.2035 6.2035 6.3118 6.3118 6.7202 6.7202 6.7831 6.7831 12.2410 12.2410 12.3703 12.3703 13.2841 13.2841 15.5377 15.5377 16.1436 16.1436 16.8933 16.8933 k = 0.5000 0.2887 0.2705 ( 3608 PWs) bands (ev): -13.4665 -13.4665 -12.5627 -12.5627 -11.2205 -11.2205 -10.4623 -10.4623 -9.9991 -9.9991 -9.6806 -9.6806 -2.9355 -2.9355 -1.2335 -1.2335 0.2398 0.2398 0.7122 0.7122 0.9388 0.9388 1.2535 1.2535 1.4243 1.4243 1.6184 1.6184 1.8394 1.8394 2.1122 2.1122 2.5272 2.5272 3.0823 3.0823 3.7346 3.7346 4.1292 4.1292 4.5856 4.5856 4.6975 4.6975 5.4200 5.4200 5.9488 5.9488 6.1787 6.1787 6.1938 6.1938 6.3132 6.3132 6.7362 6.7362 6.7792 6.7792 12.2533 12.2533 12.3632 12.3632 13.2987 13.2987 15.5421 15.5421 16.1103 16.1103 16.8353 16.8353 k = 0.5000 0.2887 0.2555 ( 3604 PWs) bands (ev): -13.4688 -13.4688 -12.5662 -12.5662 -11.2214 -11.2214 -10.4577 -10.4577 -9.9919 -9.9919 -9.6804 -9.6804 -2.9395 -2.9395 -1.2219 -1.2219 0.2615 0.2615 0.7135 0.7135 0.9307 0.9307 1.2474 1.2474 1.4131 1.4131 1.6190 1.6190 1.8478 1.8478 2.1081 2.1081 2.4639 2.4639 3.0868 3.0868 3.7296 3.7296 4.1368 4.1368 4.5911 4.5911 4.6846 4.6846 5.4207 5.4207 5.9849 5.9849 6.1771 6.1771 6.1992 6.1992 6.3109 6.3109 6.7514 6.7514 6.7741 6.7741 12.2672 12.2672 12.3559 12.3559 13.3129 13.3129 15.5463 15.5463 16.0775 16.0775 16.7796 16.7796 k = 0.5000 0.2887 0.2405 ( 3604 PWs) bands (ev): -13.4710 -13.4710 -12.5697 -12.5697 -11.2224 -11.2224 -10.4532 -10.4532 -9.9847 -9.9847 -9.6802 -9.6802 -2.9435 -2.9435 -1.2100 -1.2100 0.2836 0.2836 0.7130 0.7130 0.9227 0.9227 1.2408 1.2408 1.4066 1.4066 1.6198 1.6198 1.8555 1.8555 2.1050 2.1050 2.4020 2.4020 3.0821 3.0821 3.7257 3.7257 4.1442 4.1442 4.6042 4.6042 4.6724 4.6724 5.4214 5.4214 6.0046 6.0046 6.1695 6.1695 6.2272 6.2272 6.3051 6.3051 6.7641 6.7641 6.7694 6.7694 12.2824 12.2824 12.3484 12.3484 13.3265 13.3265 15.5502 15.5502 16.0451 16.0451 16.7263 16.7263 k = 0.5000 0.2887 0.2254 ( 3604 PWs) bands (ev): -13.4733 -13.4733 -12.5732 -12.5732 -11.2233 -11.2233 -10.4487 -10.4487 -9.9776 -9.9776 -9.6800 -9.6800 -2.9475 -2.9475 -1.1979 -1.1979 0.3061 0.3061 0.7108 0.7108 0.9147 0.9147 1.2334 1.2334 1.4048 1.4048 1.6210 1.6210 1.8623 1.8623 2.1030 2.1030 2.3420 2.3420 3.0678 3.0678 3.7240 3.7240 4.1513 4.1513 4.6235 4.6235 4.6615 4.6615 5.4221 5.4221 6.0109 6.0109 6.1623 6.1623 6.2680 6.2680 6.2958 6.2958 6.7589 6.7589 6.7807 6.7807 12.2989 12.2989 12.3410 12.3410 13.3396 13.3396 15.5536 15.5536 16.0131 16.0131 16.6757 16.6757 k = 0.5000 0.2887 0.2104 ( 3608 PWs) bands (ev): -13.4755 -13.4755 -12.5766 -12.5766 -11.2242 -11.2242 -10.4442 -10.4442 -9.9705 -9.9705 -9.6798 -9.6798 -2.9514 -2.9514 -1.1858 -1.1858 0.3287 0.3287 0.7067 0.7067 0.9070 0.9070 1.2256 1.2256 1.4073 1.4073 1.6229 1.6229 1.8680 1.8680 2.1019 2.1019 2.2846 2.2846 3.0440 3.0440 3.7251 3.7251 4.1580 4.1580 4.6401 4.6401 4.6597 4.6597 5.4231 5.4231 6.0092 6.0092 6.1565 6.1565 6.2818 6.2818 6.3165 6.3165 6.7498 6.7498 6.7938 6.7938 12.3163 12.3163 12.3337 12.3337 13.3521 13.3521 15.5564 15.5564 15.9817 15.9817 16.6279 16.6279 k = 0.5000 0.2887 0.1954 ( 3616 PWs) bands (ev): -13.4776 -13.4776 -12.5799 -12.5799 -11.2251 -11.2251 -10.4399 -10.4399 -9.9636 -9.9636 -9.6797 -9.6797 -2.9553 -2.9553 -1.1736 -1.1736 0.3513 0.3513 0.7011 0.7011 0.8995 0.8995 1.2175 1.2175 1.4135 1.4135 1.6256 1.6256 1.8728 1.8728 2.1011 2.1011 2.2307 2.2307 3.0117 3.0117 3.7291 3.7291 4.1644 4.1644 4.6346 4.6346 4.6850 4.6850 5.4244 5.4244 6.0035 6.0035 6.1524 6.1524 6.2656 6.2656 6.3660 6.3660 6.7395 6.7395 6.8063 6.8063 12.3255 12.3255 12.3354 12.3354 13.3640 13.3640 15.5587 15.5587 15.9509 15.9509 16.5831 16.5831 k = 0.5000 0.2887 0.1804 ( 3608 PWs) bands (ev): -13.4797 -13.4797 -12.5831 -12.5831 -11.2260 -11.2260 -10.4357 -10.4357 -9.9569 -9.9569 -9.6795 -9.6795 -2.9590 -2.9590 -1.1616 -1.1616 0.3736 0.3736 0.6942 0.6942 0.8923 0.8923 1.2096 1.2096 1.4224 1.4224 1.6294 1.6294 1.8770 1.8770 2.0981 2.0981 2.1832 2.1832 2.9721 2.9721 3.7358 3.7358 4.1705 4.1705 4.6251 4.6251 4.7183 4.7183 5.4265 5.4265 5.9959 5.9959 6.1498 6.1498 6.2461 6.2461 6.4154 6.4154 6.7280 6.7280 6.8181 6.8181 12.3187 12.3187 12.3537 12.3537 13.3754 13.3754 15.5603 15.5603 15.9210 15.9210 16.5414 16.5414 k = 0.5000 0.2887 0.1653 ( 3610 PWs) bands (ev): -13.4817 -13.4817 -12.5862 -12.5862 -11.2268 -11.2268 -10.4317 -10.4317 -9.9505 -9.9505 -9.6794 -9.6794 -2.9625 -2.9625 -1.1499 -1.1499 0.3955 0.3955 0.6863 0.6863 0.8854 0.8854 1.2023 1.2023 1.4331 1.4331 1.6341 1.6341 1.8808 1.8808 2.0852 2.0852 2.1500 2.1500 2.9265 2.9265 3.7444 3.7444 4.1762 4.1762 4.6156 4.6156 4.7542 4.7542 5.4296 5.4296 5.9876 5.9876 6.1488 6.1488 6.2238 6.2238 6.4630 6.4630 6.7156 6.7156 6.8292 6.8292 12.3117 12.3117 12.3725 12.3725 13.3862 13.3862 15.5611 15.5611 15.8921 15.8921 16.5029 16.5030 k = 0.5000 0.2887 0.1503 ( 3610 PWs) bands (ev): -13.4836 -13.4836 -12.5891 -12.5891 -11.2276 -11.2276 -10.4279 -10.4279 -9.9445 -9.9445 -9.6793 -9.6793 -2.9659 -2.9659 -1.1386 -1.1386 0.4166 0.4166 0.6777 0.6777 0.8787 0.8787 1.1956 1.1956 1.4447 1.4447 1.6399 1.6399 1.8844 1.8844 2.0559 2.0559 2.1382 2.1382 2.8764 2.8764 3.7542 3.7542 4.1815 4.1815 4.6066 4.6066 4.7912 4.7912 5.4342 5.4342 5.9791 5.9791 6.1489 6.1489 6.1991 6.1991 6.5081 6.5081 6.7024 6.7024 6.8395 6.8395 12.3051 12.3051 12.3911 12.3911 13.3963 13.3963 15.5612 15.5612 15.8645 15.8645 16.4678 16.4678 k = 0.5000 0.2887 0.1353 ( 3606 PWs) bands (ev): -13.4853 -13.4853 -12.5917 -12.5917 -11.2283 -11.2283 -10.4243 -10.4243 -9.9388 -9.9388 -9.6792 -9.6792 -2.9690 -2.9690 -1.1278 -1.1278 0.4369 0.4369 0.6689 0.6689 0.8723 0.8723 1.1897 1.1897 1.4564 1.4564 1.6466 1.6466 1.8870 1.8870 2.0218 2.0218 2.1379 2.1379 2.8232 2.8232 3.7648 3.7648 4.1864 4.1864 4.5982 4.5982 4.8279 4.8279 5.4406 5.4406 5.9710 5.9710 6.1488 6.1488 6.1737 6.1737 6.5498 6.5498 6.6889 6.6889 6.8491 6.8491 12.2988 12.2988 12.4092 12.4092 13.4059 13.4059 15.5606 15.5606 15.8386 15.8386 16.4361 16.4361 k = 0.5000 0.2887 0.1202 ( 3620 PWs) bands (ev): -13.4869 -13.4869 -12.5942 -12.5942 -11.2290 -11.2290 -10.4210 -10.4210 -9.9336 -9.9336 -9.6791 -9.6791 -2.9719 -2.9719 -1.1176 -1.1176 0.4559 0.4559 0.6601 0.6601 0.8661 0.8661 1.1845 1.1845 1.4678 1.4678 1.6537 1.6537 1.8854 1.8854 1.9945 1.9945 2.1409 2.1409 2.7679 2.7679 3.7755 3.7755 4.1908 4.1908 4.5905 4.5905 4.8632 4.8632 5.4491 5.4491 5.9634 5.9634 6.1364 6.1364 6.1597 6.1597 6.5879 6.5879 6.6752 6.6752 6.8579 6.8579 12.2929 12.2929 12.4264 12.4264 13.4148 13.4148 15.5592 15.5592 15.8146 15.8146 16.4078 16.4078 k = 0.5000 0.2887 0.1052 ( 3618 PWs) bands (ev): -13.4884 -13.4884 -12.5964 -12.5964 -11.2296 -11.2296 -10.4181 -10.4181 -9.9289 -9.9289 -9.6790 -9.6790 -2.9745 -2.9745 -1.1083 -1.1083 0.4736 0.4736 0.6517 0.6517 0.8603 0.8603 1.1802 1.1802 1.4786 1.4786 1.6609 1.6609 1.8743 1.8743 1.9823 1.9823 2.1451 2.1451 2.7119 2.7119 3.7858 3.7858 4.1948 4.1948 4.5836 4.5836 4.8959 4.8959 5.4603 5.4603 5.9564 5.9564 6.1082 6.1082 6.1611 6.1611 6.6218 6.6218 6.6618 6.6618 6.8660 6.8660 12.2876 12.2876 12.4424 12.4424 13.4230 13.4230 15.5571 15.5571 15.7929 15.7929 16.3829 16.3829 k = 0.5000 0.2887 0.0902 ( 3614 PWs) bands (ev): -13.4897 -13.4897 -12.5984 -12.5984 -11.2302 -11.2302 -10.4155 -10.4155 -9.9247 -9.9247 -9.6790 -9.6790 -2.9769 -2.9769 -1.0999 -1.0999 0.4896 0.4896 0.6439 0.6439 0.8550 0.8550 1.1767 1.1767 1.4886 1.4886 1.6680 1.6680 1.8530 1.8530 1.9871 1.9871 2.1494 2.1494 2.6563 2.6563 3.7954 3.7954 4.1982 4.1982 4.5775 4.5775 4.9253 4.9253 5.4739 5.4739 5.9503 5.9503 6.0775 6.0775 6.1649 6.1649 6.6468 6.6468 6.6537 6.6537 6.8733 6.8733 12.2828 12.2828 12.4569 12.4569 13.4304 13.4304 15.5545 15.5545 15.7737 15.7737 16.3615 16.3615 k = 0.5000 0.2887 0.0751 ( 3610 PWs) bands (ev): -13.4908 -13.4908 -12.6001 -12.6001 -11.2306 -11.2306 -10.4132 -10.4132 -9.9211 -9.9211 -9.6790 -9.6790 -2.9789 -2.9789 -1.0926 -1.0926 0.5037 0.5037 0.6369 0.6369 0.8503 0.8503 1.1738 1.1738 1.4976 1.4976 1.6748 1.6748 1.8272 1.8272 2.0034 2.0034 2.1532 2.1532 2.6022 2.6022 3.8040 3.8040 4.2012 4.2012 4.5722 4.5722 4.9506 4.9506 5.4898 5.4898 5.9449 5.9449 6.0465 6.0465 6.1693 6.1693 6.6365 6.6365 6.6774 6.6774 6.8797 6.8797 12.2787 12.2787 12.4697 12.4697 13.4369 13.4369 15.5516 15.5516 15.7573 15.7573 16.3435 16.3435 k = 0.5000 0.2887 0.0601 ( 3610 PWs) bands (ev): -13.4917 -13.4917 -12.6015 -12.6015 -11.2310 -11.2310 -10.4113 -10.4113 -9.9181 -9.9181 -9.6789 -9.6789 -2.9805 -2.9805 -1.0864 -1.0864 0.5157 0.5157 0.6309 0.6309 0.8462 0.8462 1.1715 1.1715 1.5055 1.5055 1.6815 1.6815 1.8012 1.8012 2.0261 2.0261 2.1561 2.1561 2.5512 2.5512 3.8113 3.8113 4.2037 4.2037 4.5678 4.5678 4.9713 4.9713 5.5070 5.5070 5.9405 5.9405 6.0169 6.0169 6.1737 6.1737 6.6261 6.6261 6.6980 6.6980 6.8852 6.8852 12.2752 12.2752 12.4804 12.4804 13.4425 13.4425 15.5486 15.5486 15.7438 15.7438 16.3288 16.3288 k = 0.5000 0.2887 0.0451 ( 3600 PWs) bands (ev): -13.4924 -13.4924 -12.6026 -12.6026 -11.2313 -11.2313 -10.4099 -10.4099 -9.9157 -9.9157 -9.6789 -9.6789 -2.9818 -2.9818 -1.0815 -1.0815 0.5254 0.5254 0.6261 0.6261 0.8430 0.8430 1.1698 1.1698 1.5123 1.5123 1.6884 1.6884 1.7772 1.7772 2.0517 2.0517 2.1576 2.1576 2.5053 2.5053 3.8172 3.8172 4.2056 4.2056 4.5644 4.5644 4.9873 4.9873 5.5241 5.5241 5.9371 5.9371 5.9903 5.9903 6.1777 6.1777 6.6174 6.6174 6.7140 6.7140 6.8896 6.8896 12.2725 12.2725 12.4890 12.4890 13.4469 13.4469 15.5459 15.5459 15.7333 15.7333 16.3175 16.3175 k = 0.5000 0.2887 0.0301 ( 3604 PWs) bands (ev): -13.4929 -13.4929 -12.6033 -12.6033 -11.2316 -11.2316 -10.4088 -10.4088 -9.9140 -9.9140 -9.6789 -9.6789 -2.9827 -2.9827 -1.0779 -1.0779 0.5324 0.5324 0.6225 0.6225 0.8405 0.8405 1.1686 1.1686 1.5174 1.5174 1.6961 1.6961 1.7562 1.7562 2.0769 2.0769 2.1574 2.1574 2.4674 2.4674 3.8215 3.8215 4.2070 4.2070 4.5619 4.5619 4.9986 4.9986 5.5391 5.5391 5.9346 5.9346 5.9686 5.9686 6.1808 6.1808 6.6109 6.6109 6.7254 6.7254 6.8930 6.8930 12.2705 12.2705 12.4952 12.4952 13.4501 13.4501 15.5436 15.5436 15.7258 15.7258 16.3094 16.3094 k = 0.5000 0.2887 0.0150 ( 3600 PWs) bands (ev): -13.4932 -13.4932 -12.6038 -12.6038 -11.2317 -11.2317 -10.4081 -10.4081 -9.9130 -9.9130 -9.6789 -9.6789 -2.9833 -2.9833 -1.0757 -1.0757 0.5367 0.5367 0.6203 0.6203 0.8391 0.8391 1.1679 1.1679 1.5207 1.5207 1.7045 1.7045 1.7393 1.7393 2.0970 2.0970 2.1556 2.1556 2.4417 2.4417 3.8241 3.8241 4.2079 4.2079 4.5604 4.5604 5.0053 5.0053 5.5495 5.5495 5.9332 5.9332 5.9543 5.9543 6.1827 6.1827 6.6068 6.6068 6.7323 6.7323 6.8950 6.8950 12.2693 12.2693 12.4990 12.4990 13.4521 13.4521 15.5422 15.5422 15.7213 15.7213 16.3046 16.3046 k = 0.5000 0.2887-0.0000 ( 3604 PWs) bands (ev): -13.4933 -13.4933 -12.6040 -12.6040 -11.2317 -11.2317 -10.4079 -10.4079 -9.9127 -9.9127 -9.6789 -9.6789 -2.9835 -2.9835 -1.0750 -1.0750 0.5381 0.5381 0.6196 0.6196 0.8386 0.8386 1.1676 1.1676 1.5218 1.5218 1.7099 1.7099 1.7310 1.7310 2.1052 2.1052 2.1541 2.1541 2.4324 2.4324 3.8250 3.8250 4.2082 4.2082 4.5599 4.5599 5.0075 5.0075 5.5532 5.5532 5.9328 5.9328 5.9491 5.9491 6.1834 6.1834 6.6055 6.6055 6.7345 6.7345 6.8957 6.8957 12.2689 12.2689 12.5003 12.5003 13.4528 13.4528 15.5416 15.5416 15.7198 15.7198 16.3030 16.3030 k = 0.3333 0.5774-0.0000 ( 3612 PWs) bands (ev): -13.0468 -13.0468 -13.0386 -13.0386 -11.3823 -11.3823 -10.2030 -10.2030 -10.2020 -10.2020 -9.5402 -9.5402 -2.0243 -2.0243 -2.0183 -2.0183 0.3873 0.3873 0.5076 0.5076 1.2045 1.2045 1.3933 1.3933 1.4911 1.4911 1.7453 1.7453 1.9568 1.9568 2.1095 2.1095 2.5174 2.5174 2.5355 2.5355 2.7688 2.7688 3.4868 3.4868 4.6557 4.6557 5.3249 5.3249 5.6724 5.6724 5.6753 5.6753 6.4798 6.4798 6.5024 6.5024 6.5172 6.5172 6.7560 6.7560 6.7672 6.7672 12.4631 12.4631 12.4635 12.4635 13.5440 13.5440 14.9044 14.9044 14.9106 14.9106 17.3607 17.3607 k = 0.3333 0.5774 0.0150 ( 3603 PWs) bands (ev): -13.0470 -13.0470 -13.0388 -13.0388 -11.3837 -11.3837 -10.2023 -10.2023 -10.2014 -10.2014 -9.5374 -9.5374 -2.0260 -2.0260 -2.0203 -2.0203 0.3577 0.3577 0.4820 0.4820 1.2074 1.2074 1.3540 1.3540 1.5061 1.5061 1.7537 1.7537 1.9849 1.9849 2.1387 2.1387 2.5220 2.5220 2.5429 2.5429 2.7685 2.7685 3.5002 3.5002 4.7142 4.7142 5.3258 5.3258 5.6688 5.6688 5.6722 5.6722 6.4648 6.4648 6.5079 6.5079 6.5219 6.5219 6.7301 6.7301 6.7420 6.7420 12.4770 12.4770 12.4780 12.4780 13.4845 13.4845 14.8735 14.8735 14.8812 14.8812 17.3953 17.3953 k = 0.3333 0.5774 0.0301 ( 3603 PWs) bands (ev): -13.0470 -13.0470 -13.0387 -13.0387 -11.3848 -11.3848 -10.2019 -10.2019 -10.2011 -10.2011 -9.5350 -9.5350 -2.0279 -2.0279 -2.0225 -2.0225 0.3298 0.3298 0.4576 0.4576 1.2091 1.2091 1.3161 1.3161 1.5190 1.5190 1.7604 1.7604 2.0092 2.0092 2.1657 2.1657 2.5337 2.5337 2.5566 2.5566 2.7685 2.7685 3.5127 3.5127 4.7726 4.7726 5.3262 5.3262 5.6667 5.6667 5.6705 5.6705 6.4510 6.4510 6.5066 6.5066 6.5190 6.5190 6.7072 6.7072 6.7189 6.7189 12.4893 12.4893 12.4907 12.4907 13.4234 13.4234 14.8471 14.8471 14.8565 14.8565 17.4297 17.4297 k = 0.3333 0.5774 0.0451 ( 3603 PWs) bands (ev): -13.0468 -13.0468 -13.0385 -13.0385 -11.3855 -11.3855 -10.2020 -10.2020 -10.2013 -10.2013 -9.5330 -9.5330 -2.0301 -2.0301 -2.0250 -2.0250 0.3037 0.3037 0.4346 0.4346 1.2085 1.2085 1.2813 1.2813 1.5297 1.5297 1.7654 1.7654 2.0294 2.0294 2.1902 2.1902 2.5530 2.5530 2.5770 2.5770 2.7688 2.7688 3.5239 3.5239 4.8306 4.8306 5.3264 5.3264 5.6661 5.6661 5.6703 5.6703 6.4385 6.4385 6.4962 6.4962 6.5054 6.5054 6.6905 6.6905 6.7005 6.7005 12.4998 12.4998 12.5016 12.5016 13.3612 13.3612 14.8252 14.8252 14.8367 14.8367 17.4636 17.4636 k = 0.3333 0.5774 0.0601 ( 3606 PWs) bands (ev): -13.0464 -13.0464 -13.0380 -13.0380 -11.3860 -11.3860 -10.2025 -10.2025 -10.2019 -10.2019 -9.5315 -9.5315 -2.0324 -2.0324 -2.0276 -2.0276 0.2795 0.2795 0.4130 0.4130 1.2017 1.2017 1.2536 1.2536 1.5379 1.5379 1.7685 1.7685 2.0454 2.0454 2.2123 2.2123 2.5799 2.5799 2.6040 2.6040 2.7695 2.7695 3.5336 3.5336 4.8880 4.8880 5.3261 5.3261 5.6669 5.6669 5.6715 5.6715 6.4273 6.4273 6.4750 6.4750 6.4800 6.4800 6.6815 6.6815 6.6885 6.6885 12.5085 12.5085 12.5104 12.5104 13.2984 13.2984 14.8079 14.8079 14.8216 14.8216 17.4968 17.4968 k = 0.3333 0.5774 0.0751 ( 3609 PWs) bands (ev): -13.0458 -13.0458 -13.0373 -13.0373 -11.3861 -11.3861 -10.2034 -10.2034 -10.2029 -10.2029 -9.5304 -9.5304 -2.0350 -2.0350 -2.0304 -2.0304 0.2572 0.2572 0.3931 0.3931 1.1826 1.1826 1.2392 1.2392 1.5436 1.5436 1.7699 1.7699 2.0575 2.0575 2.2319 2.2319 2.6142 2.6142 2.6370 2.6370 2.7708 2.7708 3.5418 3.5418 4.9443 4.9443 5.3255 5.3255 5.6691 5.6691 5.6741 5.6741 6.4166 6.4166 6.4432 6.4432 6.4450 6.4450 6.6788 6.6788 6.6829 6.6829 12.5151 12.5151 12.5172 12.5172 13.2356 13.2356 14.7950 14.7950 14.8112 14.8112 17.5292 17.5292 k = 0.3333 0.5774 0.0902 ( 3603 PWs) bands (ev): -13.0449 -13.0449 -13.0364 -13.0364 -11.3860 -11.3860 -10.2047 -10.2047 -10.2043 -10.2043 -9.5298 -9.5298 -2.0378 -2.0378 -2.0333 -2.0333 0.2370 0.2370 0.3749 0.3749 1.1551 1.1551 1.2344 1.2344 1.5469 1.5469 1.7697 1.7697 2.0662 2.0662 2.2495 2.2495 2.6552 2.6552 2.6750 2.6750 2.7731 2.7731 3.5483 3.5483 4.9991 4.9991 5.3246 5.3246 5.6728 5.6728 5.6781 5.6781 6.3937 6.3937 6.4028 6.4028 6.4157 6.4157 6.6803 6.6803 6.6819 6.6819 12.5199 12.5199 12.5220 12.5220 13.1733 13.1733 14.7866 14.7866 14.8054 14.8054 17.5606 17.5606 k = 0.3333 0.5774 0.1052 ( 3603 PWs) bands (ev): -13.0439 -13.0439 -13.0354 -13.0354 -11.3855 -11.3855 -10.2063 -10.2063 -10.2061 -10.2061 -9.5297 -9.5297 -2.0407 -2.0407 -2.0364 -2.0364 0.2188 0.2188 0.3586 0.3586 1.1258 1.1258 1.2326 1.2326 1.5477 1.5477 1.7680 1.7680 2.0722 2.0722 2.2653 2.2653 2.7020 2.7020 2.7156 2.7156 2.7784 2.7784 3.5531 3.5531 5.0522 5.0522 5.3234 5.3234 5.6777 5.6777 5.6835 5.6835 6.3458 6.3458 6.3556 6.3556 6.4071 6.4071 6.6836 6.6836 6.6839 6.6839 12.5227 12.5227 12.5246 12.5246 13.1121 13.1121 14.7826 14.7826 14.8041 14.8041 17.5908 17.5908 k = 0.3333 0.5774 0.1202 ( 3603 PWs) bands (ev): -13.0427 -13.0427 -13.0341 -13.0341 -11.3848 -11.3848 -10.2084 -10.2084 -10.2082 -10.2082 -9.5301 -9.5301 -2.0437 -2.0437 -2.0395 -2.0395 0.2027 0.2027 0.3440 0.3440 1.0973 1.0973 1.2313 1.2313 1.5461 1.5461 1.7651 1.7651 2.0761 2.0761 2.2795 2.2795 2.7488 2.7488 2.7539 2.7539 2.7959 2.7959 3.5561 3.5561 5.1032 5.1032 5.3218 5.3218 5.6840 5.6840 5.6900 5.6900 6.2911 6.2911 6.3035 6.3035 6.4024 6.4024 6.6868 6.6868 6.6884 6.6884 12.5236 12.5236 12.5253 12.5253 13.0524 13.0524 14.7828 14.7828 14.8072 14.8072 17.6196 17.6196 k = 0.3333 0.5774 0.1353 ( 3609 PWs) bands (ev): -13.0413 -13.0413 -13.0327 -13.0327 -11.3837 -11.3837 -10.2108 -10.2108 -10.2108 -10.2108 -9.5309 -9.5309 -2.0469 -2.0469 -2.0427 -2.0427 0.1887 0.1887 0.3315 0.3315 1.0704 1.0704 1.2296 1.2296 1.5422 1.5422 1.7613 1.7613 2.0785 2.0785 2.2923 2.2923 2.7621 2.7621 2.8100 2.8100 2.8375 2.8375 3.5574 3.5574 5.1516 5.1516 5.3199 5.3199 5.6914 5.6914 5.6977 5.6977 6.2326 6.2326 6.2474 6.2474 6.3999 6.3999 6.6904 6.6904 6.6929 6.6929 12.5226 12.5226 12.5240 12.5240 12.9949 12.9949 14.7870 14.7870 14.8144 14.8144 17.6470 17.6470 k = 0.3333 0.5774 0.1503 ( 3612 PWs) bands (ev): -13.0398 -13.0398 -13.0311 -13.0311 -11.3824 -11.3824 -10.2136 -10.2136 -10.2135 -10.2135 -9.5322 -9.5322 -2.0501 -2.0501 -2.0459 -2.0459 0.1768 0.1768 0.3209 0.3209 1.0455 1.0455 1.2272 1.2272 1.5362 1.5362 1.7569 1.7569 2.0797 2.0797 2.3040 2.3040 2.7670 2.7670 2.8698 2.8698 2.8912 2.8912 3.5569 3.5569 5.1972 5.1972 5.3177 5.3177 5.6998 5.6998 5.7063 5.7063 6.1712 6.1712 6.1883 6.1883 6.3992 6.3992 6.6939 6.6939 6.6971 6.6971 12.5199 12.5199 12.5208 12.5208 12.9399 12.9399 14.7952 14.7952 14.8256 14.8256 17.6727 17.6727 k = 0.3333 0.5774 0.1653 ( 3600 PWs) bands (ev): -13.0381 -13.0381 -13.0293 -13.0293 -11.3807 -11.3807 -10.2167 -10.2167 -10.2165 -10.2165 -9.5339 -9.5339 -2.0533 -2.0533 -2.0491 -2.0491 0.1671 0.1671 0.3123 0.3123 1.0228 1.0228 1.2241 1.2241 1.5282 1.5282 1.7523 1.7523 2.0800 2.0800 2.3144 2.3144 2.7699 2.7699 2.9327 2.9327 2.9501 2.9501 3.5549 3.5549 5.2394 5.2394 5.3153 5.3153 5.7090 5.7090 5.7157 5.7157 6.1076 6.1076 6.1270 6.1270 6.4002 6.4002 6.6969 6.6969 6.7006 6.7006 12.5155 12.5155 12.5159 12.5159 12.8880 12.8880 14.8071 14.8071 14.8406 14.8406 17.6969 17.6969 k = 0.3333 0.5774 0.1804 ( 3594 PWs) bands (ev): -13.0362 -13.0362 -13.0274 -13.0274 -11.3789 -11.3789 -10.2202 -10.2202 -10.2199 -10.2199 -9.5361 -9.5361 -2.0565 -2.0565 -2.0523 -2.0523 0.1594 0.1594 0.3057 0.3057 1.0025 1.0025 1.2200 1.2200 1.5186 1.5186 1.7475 1.7475 2.0795 2.0795 2.3236 2.3236 2.7723 2.7723 2.9981 2.9981 3.0122 3.0122 3.5512 3.5512 5.2780 5.2780 5.3126 5.3126 5.7185 5.7185 5.7253 5.7253 6.0429 6.0429 6.0644 6.0644 6.4031 6.4031 6.6992 6.6992 6.7033 6.7033 12.5094 12.5094 12.5095 12.5095 12.8397 12.8397 14.8225 14.8225 14.8591 14.8591 17.7192 17.7192 k = 0.3333 0.5774 0.1954 ( 3600 PWs) bands (ev): -13.0343 -13.0343 -13.0255 -13.0255 -11.3767 -11.3767 -10.2239 -10.2239 -10.2234 -10.2234 -9.5387 -9.5387 -2.0597 -2.0597 -2.0554 -2.0554 0.1539 0.1539 0.3012 0.3012 0.9846 0.9846 1.2148 1.2148 1.5073 1.5073 1.7429 1.7429 2.0782 2.0782 2.3316 2.3316 2.7745 2.7745 3.0656 3.0656 3.0769 3.0769 3.5461 3.5461 5.3089 5.3089 5.3133 5.3133 5.7273 5.7273 5.7341 5.7341 5.9782 5.9782 6.0017 6.0017 6.4076 6.4076 6.7005 6.7005 6.7049 6.7049 12.5015 12.5015 12.5022 12.5022 12.7954 12.7954 14.8412 14.8412 14.8811 14.8811 17.7394 17.7394 k = 0.3333 0.5774 0.2104 ( 3600 PWs) bands (ev): -13.0322 -13.0322 -13.0234 -13.0234 -11.3744 -11.3744 -10.2278 -10.2278 -10.2272 -10.2272 -9.5417 -9.5417 -2.0628 -2.0628 -2.0584 -2.0584 0.1505 0.1505 0.2986 0.2986 0.9692 0.9692 1.2085 1.2085 1.4947 1.4947 1.7385 1.7385 2.0763 2.0763 2.3383 2.3383 2.7767 2.7767 3.1348 3.1348 3.1436 3.1436 3.5398 3.5398 5.3063 5.3063 5.3429 5.3429 5.7326 5.7326 5.7398 5.7398 5.9166 5.9166 5.9418 5.9418 6.4137 6.4137 6.7008 6.7008 6.7054 6.7054 12.4922 12.4922 12.4935 12.4935 12.7554 12.7554 14.8632 14.8632 14.9062 14.9062 17.7574 17.7574 k = 0.3333 0.5774 0.2254 ( 3609 PWs) bands (ev): -13.0301 -13.0301 -13.0212 -13.0212 -11.3718 -11.3718 -10.2318 -10.2318 -10.2312 -10.2312 -9.5451 -9.5451 -2.0659 -2.0659 -2.0613 -2.0613 0.1491 0.1491 0.2981 0.2981 0.9563 0.9563 1.2012 1.2012 1.4810 1.4810 1.7344 1.7344 2.0736 2.0736 2.3438 2.3438 2.7788 2.7788 3.2053 3.2053 3.2117 3.2117 3.5322 3.5322 5.3030 5.3030 5.3682 5.3682 5.7270 5.7270 5.7364 5.7364 5.8659 5.8659 5.8909 5.8909 6.4215 6.4215 6.7000 6.7000 6.7048 6.7048 12.4818 12.4818 12.4837 12.4837 12.7202 12.7202 14.8882 14.8882 14.9343 14.9343 17.7727 17.7727 k = 0.3333 0.5774 0.2405 ( 3603 PWs) bands (ev): -13.0279 -13.0279 -13.0189 -13.0189 -11.3690 -11.3690 -10.2360 -10.2360 -10.2353 -10.2353 -9.5489 -9.5489 -2.0688 -2.0688 -2.0640 -2.0640 0.1499 0.1499 0.2997 0.2997 0.9460 0.9460 1.1931 1.1931 1.4664 1.4664 1.7310 1.7310 2.0703 2.0703 2.3480 2.3480 2.7810 2.7810 3.2767 3.2767 3.2811 3.2811 3.5237 3.5237 5.2995 5.2995 5.3884 5.3884 5.6971 5.6971 5.7122 5.7122 5.8401 5.8401 5.8609 5.8609 6.4310 6.4310 6.6980 6.6980 6.7030 6.7030 12.4703 12.4703 12.4729 12.4729 12.6900 12.6900 14.9161 14.9161 14.9653 14.9653 17.7849 17.7849 k = 0.3333 0.5774 0.2555 ( 3603 PWs) bands (ev): -13.0257 -13.0257 -13.0166 -13.0166 -11.3661 -11.3661 -10.2404 -10.2404 -10.2396 -10.2396 -9.5530 -9.5530 -2.0715 -2.0715 -2.0665 -2.0665 0.1526 0.1526 0.3032 0.3032 0.9382 0.9382 1.1840 1.1840 1.4511 1.4511 1.7280 1.7280 2.0661 2.0661 2.3508 2.3508 2.7832 2.7832 3.3486 3.3486 3.3510 3.3510 3.5144 3.5144 5.2959 5.2959 5.4031 5.4031 5.6433 5.6433 5.6643 5.6643 5.8387 5.8387 5.8553 5.8553 6.4419 6.4419 6.6947 6.6947 6.6998 6.6998 12.4580 12.4580 12.4612 12.4612 12.6651 12.6651 14.9467 14.9467 14.9989 14.9989 17.7936 17.7936 k = 0.3333 0.5774 0.2705 ( 3609 PWs) bands (ev): -13.0234 -13.0234 -13.0143 -13.0143 -11.3630 -11.3630 -10.2448 -10.2448 -10.2439 -10.2439 -9.5573 -9.5573 -2.0742 -2.0742 -2.0689 -2.0689 0.1574 0.1574 0.3087 0.3087 0.9329 0.9329 1.1741 1.1741 1.4353 1.4353 1.7253 1.7253 2.0610 2.0610 2.3523 2.3523 2.7854 2.7854 3.4205 3.4205 3.4210 3.4210 3.5047 3.5047 5.2922 5.2922 5.4121 5.4121 5.5788 5.5788 5.6037 5.6037 5.8491 5.8491 5.8634 5.8634 6.4544 6.4544 6.6901 6.6901 6.6954 6.6954 12.4448 12.4448 12.4486 12.4486 12.6459 12.6459 14.9800 14.9800 15.0351 15.0351 17.7981 17.7981 k = 0.3333 0.5774 0.2856 ( 3615 PWs) bands (ev): -13.0211 -13.0211 -13.0120 -13.0120 -11.3598 -11.3598 -10.2492 -10.2492 -10.2483 -10.2483 -9.5619 -9.5619 -2.0766 -2.0766 -2.0711 -2.0711 0.1641 0.1641 0.3161 0.3161 0.9301 0.9301 1.1636 1.1636 1.4190 1.4190 1.7233 1.7233 2.0551 2.0551 2.3524 2.3524 2.7876 2.7876 3.4849 3.4849 3.4919 3.4919 3.5002 3.5002 5.2885 5.2885 5.4150 5.4150 5.5109 5.5109 5.5382 5.5382 5.8647 5.8647 5.8779 5.8779 6.4684 6.4684 6.6842 6.6842 6.6897 6.6897 12.4310 12.4310 12.4354 12.4354 12.6323 12.6323 15.0157 15.0157 15.0737 15.0737 17.7979 17.7979 k = 0.3333 0.5774 0.3006 ( 3621 PWs) bands (ev): -13.0188 -13.0188 -13.0097 -13.0097 -11.3565 -11.3565 -10.2536 -10.2536 -10.2526 -10.2526 -9.5667 -9.5667 -2.0788 -2.0788 -2.0730 -2.0730 0.1728 0.1728 0.3254 0.3254 0.9297 0.9297 1.1526 1.1526 1.4025 1.4025 1.7216 1.7216 2.0482 2.0482 2.3510 2.3510 2.7898 2.7898 3.4820 3.4820 3.5613 3.5613 3.5623 3.5623 5.2846 5.2846 5.4110 5.4110 5.4433 5.4433 5.4714 5.4714 5.8830 5.8830 5.8956 5.8956 6.4837 6.4837 6.6770 6.6770 6.6826 6.6826 12.4166 12.4166 12.4216 12.4216 12.6246 12.6246 15.0537 15.0537 15.1146 15.1146 17.7926 17.7926 k = 0.3333 0.5774 0.3156 ( 3615 PWs) bands (ev): -13.0166 -13.0166 -13.0075 -13.0075 -11.3531 -11.3531 -10.2580 -10.2580 -10.2569 -10.2569 -9.5717 -9.5717 -2.0808 -2.0808 -2.0746 -2.0746 0.1834 0.1834 0.3367 0.3367 0.9316 0.9316 1.1415 1.1415 1.3859 1.3859 1.7205 1.7205 2.0403 2.0403 2.3483 2.3483 2.7919 2.7919 3.4716 3.4716 3.6282 3.6282 3.6309 3.6309 5.2807 5.2807 5.3730 5.3730 5.4046 5.4046 5.4053 5.4053 5.9032 5.9032 5.9155 5.9155 6.5002 6.5002 6.6684 6.6684 6.6742 6.6742 12.4018 12.4018 12.4074 12.4074 12.6228 12.6228 15.0940 15.0940 15.1576 15.1576 17.7820 17.7820 k = 0.3333 0.5774 0.3307 ( 3621 PWs) bands (ev): -13.0144 -13.0144 -13.0053 -13.0053 -11.3497 -11.3497 -10.2622 -10.2622 -10.2612 -10.2612 -9.5768 -9.5768 -2.0825 -2.0825 -2.0761 -2.0761 0.1958 0.1958 0.3497 0.3497 0.9356 0.9356 1.1302 1.1302 1.3694 1.3694 1.7194 1.7194 2.0312 2.0312 2.3440 2.3440 2.7940 2.7940 3.4610 3.4610 3.6927 3.6927 3.6968 3.6968 5.2759 5.2759 5.3097 5.3097 5.3411 5.3411 5.3883 5.3883 5.9248 5.9248 5.9369 5.9369 6.5178 6.5178 6.6585 6.6585 6.6645 6.6645 12.3867 12.3867 12.3928 12.3928 12.6269 12.6269 15.1365 15.1365 15.2028 15.2028 17.7665 17.7665 k = 0.3333 0.5774 0.3457 ( 3624 PWs) bands (ev): -13.0123 -13.0123 -13.0031 -13.0031 -11.3463 -11.3463 -10.2664 -10.2664 -10.2653 -10.2653 -9.5819 -9.5819 -2.0840 -2.0840 -2.0772 -2.0772 0.2100 0.2100 0.3645 0.3645 0.9414 0.9414 1.1194 1.1194 1.3529 1.3529 1.7185 1.7185 2.0212 2.0212 2.3383 2.3383 2.7961 2.7961 3.4506 3.4506 3.7535 3.7535 3.7590 3.7590 5.2448 5.2448 5.2758 5.2758 5.2803 5.2803 5.3666 5.3666 5.9476 5.9476 5.9596 5.9596 6.5363 6.5363 6.6472 6.6472 6.6536 6.6536 12.3713 12.3713 12.3779 12.3779 12.6368 12.6368 15.1810 15.1810 15.2499 15.2499 17.7467 17.7467 k = 0.3333 0.5774 0.3607 ( 3618 PWs) bands (ev): -13.0103 -13.0103 -13.0011 -13.0011 -11.3430 -11.3430 -10.2703 -10.2703 -10.2692 -10.2692 -9.5871 -9.5871 -2.0851 -2.0851 -2.0780 -2.0780 0.2260 0.2260 0.3811 0.3811 0.9487 0.9487 1.1093 1.1093 1.3367 1.3367 1.7178 1.7178 2.0099 2.0099 2.3312 2.3312 2.7980 2.7980 3.4407 3.4407 3.8092 3.8092 3.8162 3.8162 5.1895 5.1895 5.2242 5.2242 5.2712 5.2712 5.3391 5.3391 5.9714 5.9714 5.9834 5.9834 6.5553 6.5553 6.6346 6.6346 6.6415 6.6415 12.3558 12.3558 12.3628 12.3628 12.6525 12.6525 15.2274 15.2274 15.2989 15.2989 17.7230 17.7230 k = 0.3333 0.5774 0.3757 ( 3618 PWs) bands (ev): -13.0085 -13.0085 -12.9992 -12.9992 -11.3396 -11.3396 -10.2741 -10.2741 -10.2730 -10.2730 -9.5923 -9.5923 -2.0860 -2.0860 -2.0786 -2.0786 0.2437 0.2437 0.3994 0.3994 0.9570 0.9570 1.1006 1.1006 1.3209 1.3209 1.7171 1.7171 1.9975 1.9975 2.3225 2.3225 2.7999 2.7999 3.4315 3.4315 3.8580 3.8580 3.8668 3.8668 5.1402 5.1402 5.1745 5.1745 5.2676 5.2676 5.3059 5.3059 5.9962 5.9962 6.0081 6.0081 6.5745 6.5745 6.6208 6.6208 6.6285 6.6285 12.3401 12.3401 12.3476 12.3476 12.6737 12.6737 15.2755 15.2755 15.3496 15.3496 17.6964 17.6964 k = 0.3333 0.5774 0.3908 ( 3606 PWs) bands (ev): -13.0067 -13.0067 -12.9975 -12.9975 -11.3364 -11.3364 -10.2776 -10.2776 -10.2765 -10.2765 -9.5974 -9.5974 -2.0867 -2.0867 -2.0789 -2.0789 0.2631 0.2631 0.4193 0.4193 0.9653 0.9653 1.0944 1.0944 1.3055 1.3055 1.7165 1.7165 1.9840 1.9840 2.3125 2.3125 2.8017 2.8017 3.4230 3.4230 3.8982 3.8982 3.9091 3.9091 5.0995 5.0995 5.1331 5.1331 5.2631 5.2631 5.2684 5.2684 6.0218 6.0218 6.0337 6.0337 6.5919 6.5919 6.6058 6.6058 6.6164 6.6164 12.3246 12.3246 12.3325 12.3325 12.7002 12.7002 15.3253 15.3253 15.4019 15.4019 17.6673 17.6673 k = 0.3333 0.5774 0.4058 ( 3618 PWs) bands (ev): -13.0051 -13.0051 -12.9959 -12.9959 -11.3333 -11.3333 -10.2808 -10.2808 -10.2798 -10.2798 -9.6024 -9.6024 -2.0870 -2.0870 -2.0788 -2.0788 0.2840 0.2840 0.4407 0.4407 0.9722 0.9722 1.0918 1.0918 1.2904 1.2904 1.7155 1.7155 1.9692 1.9692 2.3009 2.3009 2.8033 2.8033 3.4154 3.4154 3.9275 3.9275 3.9410 3.9410 5.0694 5.0694 5.1017 5.1017 5.2231 5.2231 5.2617 5.2617 6.0482 6.0482 6.0600 6.0600 6.5896 6.5896 6.5924 6.5924 6.6202 6.6202 12.3091 12.3091 12.3173 12.3173 12.7318 12.7318 15.3765 15.3765 15.4556 15.4556 17.6364 17.6364 k = 0.3333 0.5774 0.4208 ( 3624 PWs) bands (ev): -13.0037 -13.0037 -12.9944 -12.9944 -11.3304 -11.3304 -10.2838 -10.2838 -10.2827 -10.2827 -9.6072 -9.6072 -2.0871 -2.0871 -2.0785 -2.0785 0.3065 0.3065 0.4636 0.4636 0.9763 0.9763 1.0944 1.0944 1.2759 1.2759 1.7144 1.7144 1.9532 1.9532 2.2878 2.2878 2.8047 2.8047 3.4089 3.4089 3.9445 3.9445 3.9609 3.9609 5.0517 5.0517 5.0822 5.0822 5.1748 5.1748 5.2589 5.2589 6.0753 6.0753 6.0871 6.0871 6.5723 6.5723 6.5775 6.5775 6.6381 6.6381 12.2938 12.2938 12.3024 12.3024 12.7681 12.7681 15.4289 15.4289 15.5106 15.5106 17.6040 17.6040 k = 0.3333 0.5774 0.4359 ( 3624 PWs) bands (ev): -13.0024 -13.0024 -12.9932 -12.9932 -11.3276 -11.3276 -10.2864 -10.2864 -10.2854 -10.2854 -9.6118 -9.6118 -2.0868 -2.0868 -2.0779 -2.0779 0.3304 0.3304 0.4880 0.4880 0.9768 0.9768 1.1030 1.1030 1.2620 1.2620 1.7132 1.7132 1.9360 1.9360 2.2732 2.2732 2.8060 2.8060 3.4036 3.4036 3.9480 3.9480 3.9677 3.9677 5.0469 5.0469 5.0756 5.0756 5.1223 5.1223 5.2564 5.2564 6.1031 6.1031 6.1148 6.1148 6.5541 6.5541 6.5601 6.5601 6.6572 6.6572 12.2787 12.2787 12.2877 12.2877 12.8089 12.8089 15.4824 15.4824 15.5666 15.5666 17.5705 17.5705 k = 0.3333 0.5774 0.4509 ( 3624 PWs) bands (ev): -13.0014 -13.0014 -12.9921 -12.9921 -11.3250 -11.3250 -10.2886 -10.2886 -10.2877 -10.2877 -9.6162 -9.6162 -2.0863 -2.0863 -2.0771 -2.0771 0.3558 0.3558 0.5136 0.5136 0.9740 0.9740 1.1173 1.1173 1.2488 1.2488 1.7118 1.7118 1.9176 1.9176 2.2572 2.2572 2.8072 2.8072 3.3995 3.3995 3.9381 3.9381 3.9613 3.9613 5.0496 5.0496 5.0719 5.0719 5.0821 5.0821 5.2542 5.2542 6.1313 6.1313 6.1430 6.1430 6.5351 6.5351 6.5417 6.5417 6.6761 6.6761 12.2641 12.2641 12.2734 12.2734 12.8536 12.8536 15.5365 15.5365 15.6233 15.6233 17.5362 17.5362 k = 0.3333 0.5774 0.4659 ( 3624 PWs) bands (ev): -13.0005 -13.0005 -12.9913 -12.9913 -11.3227 -11.3227 -10.2905 -10.2905 -10.2896 -10.2896 -9.6202 -9.6202 -2.0855 -2.0855 -2.0759 -2.0759 0.3825 0.3825 0.5404 0.5404 0.9689 0.9689 1.1364 1.1364 1.2363 1.2363 1.7102 1.7102 1.8980 1.8980 2.2397 2.2397 2.8081 2.8081 3.3967 3.3967 3.9158 3.9158 3.9422 3.9422 5.0016 5.0016 5.0809 5.0809 5.1009 5.1009 5.2524 5.2524 6.1600 6.1600 6.1715 6.1715 6.5155 6.5155 6.5225 6.5225 6.6944 6.6944 12.2499 12.2499 12.2595 12.2595 12.9021 12.9021 15.5911 15.5911 15.6805 15.6805 17.5014 17.5014 k = 0.3333 0.5774 0.4810 ( 3612 PWs) bands (ev): -12.9998 -12.9998 -12.9907 -12.9907 -11.3206 -11.3206 -10.2919 -10.2919 -10.2911 -10.2911 -9.6239 -9.6239 -2.0844 -2.0844 -2.0745 -2.0745 0.4104 0.4104 0.5683 0.5683 0.9625 0.9625 1.1590 1.1590 1.2245 1.2245 1.7085 1.7085 1.8772 1.8772 2.2208 2.2208 2.8089 2.8089 3.3953 3.3953 3.8829 3.8829 3.9122 3.9122 4.9387 4.9387 5.1123 5.1123 5.1303 5.1303 5.2509 5.2509 6.1887 6.1887 6.2001 6.2001 6.4957 6.4957 6.5031 6.5031 6.7118 6.7118 12.2363 12.2363 12.2461 12.2461 12.9537 12.9537 15.6457 15.6457 15.7378 15.7378 17.4662 17.4662 k = 0.3333 0.5774 0.4960 ( 3612 PWs) bands (ev): -12.9994 -12.9994 -12.9903 -12.9903 -11.3188 -11.3188 -10.2930 -10.2930 -10.2923 -10.2923 -9.6273 -9.6273 -2.0830 -2.0830 -2.0728 -2.0728 0.4395 0.4395 0.5970 0.5970 0.9557 0.9557 1.1843 1.1843 1.2135 1.2135 1.7067 1.7067 1.8552 1.8552 2.2003 2.2003 2.8095 2.8095 3.3953 3.3953 3.8414 3.8414 3.8733 3.8733 4.8725 4.8725 5.1525 5.1525 5.1684 5.1684 5.2499 5.2499 6.2172 6.2172 6.2282 6.2282 6.4763 6.4763 6.4838 6.4838 6.7282 6.7282 12.2233 12.2233 12.2334 12.2334 13.0082 13.0082 15.6999 15.6999 15.7947 15.7947 17.4308 17.4308 Writing output data file CdxAsO3x2.save init_run : 0.47s CPU 0.64s WALL ( 1 calls) electrons : 358.67s CPU 363.81s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.05s CPU 0.09s WALL ( 1 calls) Called by electrons: c_bands : 358.66s CPU 363.80s 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 : 0.10s CPU 0.14s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.05s WALL ( 316 calls) cegterg : 342.81s CPU 347.38s WALL ( 956 calls) Called by sum_band: Called by *egterg: h_psi : 152.75s CPU 155.03s WALL ( 17449 calls) s_psi : 7.12s CPU 7.34s WALL ( 17449 calls) g_psi : 0.43s CPU 0.38s WALL ( 16177 calls) cdiaghg : 159.94s CPU 161.39s WALL ( 16493 calls) cegterg:over : 12.49s CPU 12.76s WALL ( 16177 calls) cegterg:upda : 11.99s CPU 12.44s WALL ( 16177 calls) cegterg:last : 5.10s CPU 5.17s WALL ( 1904 calls) cdiaghg:chol : 9.05s CPU 9.11s WALL ( 16493 calls) cdiaghg:inve : 6.23s CPU 6.27s WALL ( 16493 calls) cdiaghg:para : 10.82s CPU 10.77s WALL ( 32986 calls) Called by h_psi: h_psi:vloc : 131.73s CPU 133.86s WALL ( 17449 calls) h_psi:vnl : 20.53s CPU 20.70s WALL ( 17449 calls) add_vuspsi : 9.40s CPU 9.35s WALL ( 17449 calls) General routines calbec : 11.09s CPU 11.29s WALL ( 17449 calls) fft : 0.02s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 114.40s CPU 116.35s WALL ( 1472984 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.16s CPU 0.21s WALL ( 632 calls) Parallel routines fft_scatter : 41.18s CPU 41.80s WALL ( 1473007 calls) PWSCF : 6m17.00s CPU 6m32.94s WALL This run was terminated on: 19:50:40 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=