Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 19:37:54 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: ./CaxAsO3x2.save/ file Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S 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 51 29 8 1887 825 130 Max 52 30 9 1890 842 137 Sum 1867 1069 313 68017 30029 4823 bravais-lattice index = 14 lattice parameter (alat) = 9.1194 a.u. unit-cell volume = 691.7268 (a.u.)^3 number of atoms/cell = 9 number of atomic types = 3 number of electrons = 56.00 number of Kohn-Sham states= 68 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.119440 celldm(2)= 1.000000 celldm(3)= 1.053173 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 1.053173 ) 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 0.949512 ) 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 Ca read from file: /users/gautes/Pseudo/Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 60bd286d514994a6a955285ae841e6ef Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1169 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) Ca 10.00 40.07800 Ca( 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= 310 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032258 k( 2) = ( 0.0131579 0.0075967 -0.0000000), wk = 0.0032258 k( 3) = ( 0.0263158 0.0151934 -0.0000000), wk = 0.0032258 k( 4) = ( 0.0394737 0.0227901 -0.0000000), wk = 0.0032258 k( 5) = ( 0.0526316 0.0303869 -0.0000000), wk = 0.0032258 k( 6) = ( 0.0657895 0.0379836 -0.0000000), wk = 0.0032258 k( 7) = ( 0.0789474 0.0455803 -0.0000000), wk = 0.0032258 k( 8) = ( 0.0921053 0.0531770 -0.0000000), wk = 0.0032258 k( 9) = ( 0.1052632 0.0607737 -0.0000000), wk = 0.0032258 k( 10) = ( 0.1184210 0.0683704 -0.0000000), wk = 0.0032258 k( 11) = ( 0.1315790 0.0759671 -0.0000000), wk = 0.0032258 k( 12) = ( 0.1447368 0.0835639 -0.0000000), wk = 0.0032258 k( 13) = ( 0.1578947 0.0911606 -0.0000000), wk = 0.0032258 k( 14) = ( 0.1710526 0.0987573 -0.0000000), wk = 0.0032258 k( 15) = ( 0.1842105 0.1063540 -0.0000000), wk = 0.0032258 k( 16) = ( 0.1973684 0.1139507 -0.0000000), wk = 0.0032258 k( 17) = ( 0.2105263 0.1215474 -0.0000000), wk = 0.0032258 k( 18) = ( 0.2236842 0.1291441 -0.0000000), wk = 0.0032258 k( 19) = ( 0.2368421 0.1367409 -0.0000000), wk = 0.0032258 k( 20) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0032258 k( 21) = ( 0.2631579 0.1519343 -0.0000000), wk = 0.0032258 k( 22) = ( 0.2763158 0.1595310 -0.0000000), wk = 0.0032258 k( 23) = ( 0.2894737 0.1671277 -0.0000000), wk = 0.0032258 k( 24) = ( 0.3026316 0.1747244 -0.0000000), wk = 0.0032258 k( 25) = ( 0.3157895 0.1823211 -0.0000000), wk = 0.0032258 k( 26) = ( 0.3289474 0.1899179 -0.0000000), wk = 0.0032258 k( 27) = ( 0.3421053 0.1975146 -0.0000000), wk = 0.0032258 k( 28) = ( 0.3552632 0.2051113 -0.0000000), wk = 0.0032258 k( 29) = ( 0.3684211 0.2127080 -0.0000000), wk = 0.0032258 k( 30) = ( 0.3815789 0.2203047 -0.0000000), wk = 0.0032258 k( 31) = ( 0.3947368 0.2279014 -0.0000000), wk = 0.0032258 k( 32) = ( 0.4078947 0.2354981 -0.0000000), wk = 0.0032258 k( 33) = ( 0.4210526 0.2430948 -0.0000000), wk = 0.0032258 k( 34) = ( 0.4342105 0.2506916 -0.0000000), wk = 0.0032258 k( 35) = ( 0.4473684 0.2582883 -0.0000000), wk = 0.0032258 k( 36) = ( 0.4605263 0.2658850 -0.0000000), wk = 0.0032258 k( 37) = ( 0.4736842 0.2734817 -0.0000000), wk = 0.0032258 k( 38) = ( 0.4868421 0.2810784 -0.0000000), wk = 0.0032258 k( 39) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0032258 k( 40) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0032258 k( 41) = ( 0.4924242 0.3017967 -0.0000000), wk = 0.0032258 k( 42) = ( 0.4848485 0.3149183 -0.0000000), wk = 0.0032258 k( 43) = ( 0.4772727 0.3280399 -0.0000000), wk = 0.0032258 k( 44) = ( 0.4696970 0.3411615 -0.0000000), wk = 0.0032258 k( 45) = ( 0.4621212 0.3542831 -0.0000000), wk = 0.0032258 k( 46) = ( 0.4545455 0.3674047 -0.0000000), wk = 0.0032258 k( 47) = ( 0.4469697 0.3805263 -0.0000000), wk = 0.0032258 k( 48) = ( 0.4393939 0.3936479 -0.0000000), wk = 0.0032258 k( 49) = ( 0.4318182 0.4067695 -0.0000000), wk = 0.0032258 k( 50) = ( 0.4242424 0.4198911 -0.0000000), wk = 0.0032258 k( 51) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0032258 k( 52) = ( 0.4090909 0.4461343 -0.0000000), wk = 0.0032258 k( 53) = ( 0.4015151 0.4592559 -0.0000000), wk = 0.0032258 k( 54) = ( 0.3939394 0.4723775 -0.0000000), wk = 0.0032258 k( 55) = ( 0.3863636 0.4854991 -0.0000000), wk = 0.0032258 k( 56) = ( 0.3787879 0.4986207 -0.0000000), wk = 0.0032258 k( 57) = ( 0.3712121 0.5117423 -0.0000000), wk = 0.0032258 k( 58) = ( 0.3636364 0.5248639 -0.0000000), wk = 0.0032258 k( 59) = ( 0.3560606 0.5379855 -0.0000000), wk = 0.0032258 k( 60) = ( 0.3484849 0.5511071 -0.0000000), wk = 0.0032258 k( 61) = ( 0.3409091 0.5642287 -0.0000000), wk = 0.0032258 k( 62) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0032258 k( 63) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0032258 k( 64) = ( 0.3257576 0.5642287 -0.0000000), wk = 0.0032258 k( 65) = ( 0.3181818 0.5511071 -0.0000000), wk = 0.0032258 k( 66) = ( 0.3106061 0.5379855 -0.0000000), wk = 0.0032258 k( 67) = ( 0.3030303 0.5248639 -0.0000000), wk = 0.0032258 k( 68) = ( 0.2954545 0.5117423 -0.0000000), wk = 0.0032258 k( 69) = ( 0.2878788 0.4986207 -0.0000000), wk = 0.0032258 k( 70) = ( 0.2803030 0.4854991 -0.0000000), wk = 0.0032258 k( 71) = ( 0.2727273 0.4723775 -0.0000000), wk = 0.0032258 k( 72) = ( 0.2651515 0.4592559 -0.0000000), wk = 0.0032258 k( 73) = ( 0.2575758 0.4461343 -0.0000000), wk = 0.0032258 k( 74) = ( 0.2500000 0.4330127 -0.0000000), wk = 0.0032258 k( 75) = ( 0.2424242 0.4198911 -0.0000000), wk = 0.0032258 k( 76) = ( 0.2348485 0.4067695 -0.0000000), wk = 0.0032258 k( 77) = ( 0.2272727 0.3936479 -0.0000000), wk = 0.0032258 k( 78) = ( 0.2196970 0.3805263 -0.0000000), wk = 0.0032258 k( 79) = ( 0.2121212 0.3674047 -0.0000000), wk = 0.0032258 k( 80) = ( 0.2045454 0.3542831 -0.0000000), wk = 0.0032258 k( 81) = ( 0.1969697 0.3411615 -0.0000000), wk = 0.0032258 k( 82) = ( 0.1893939 0.3280399 -0.0000000), wk = 0.0032258 k( 83) = ( 0.1818182 0.3149183 -0.0000000), wk = 0.0032258 k( 84) = ( 0.1742424 0.3017967 -0.0000000), wk = 0.0032258 k( 85) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0032258 k( 86) = ( 0.1590909 0.2755535 -0.0000000), wk = 0.0032258 k( 87) = ( 0.1515151 0.2624319 -0.0000000), wk = 0.0032258 k( 88) = ( 0.1439394 0.2493103 -0.0000000), wk = 0.0032258 k( 89) = ( 0.1363636 0.2361888 -0.0000000), wk = 0.0032258 k( 90) = ( 0.1287879 0.2230672 -0.0000000), wk = 0.0032258 k( 91) = ( 0.1212121 0.2099456 -0.0000000), wk = 0.0032258 k( 92) = ( 0.1136364 0.1968239 -0.0000000), wk = 0.0032258 k( 93) = ( 0.1060606 0.1837024 -0.0000000), wk = 0.0032258 k( 94) = ( 0.0984848 0.1705808 -0.0000000), wk = 0.0032258 k( 95) = ( 0.0909091 0.1574592 -0.0000000), wk = 0.0032258 k( 96) = ( 0.0833333 0.1443376 -0.0000000), wk = 0.0032258 k( 97) = ( 0.0757576 0.1312160 -0.0000000), wk = 0.0032258 k( 98) = ( 0.0681818 0.1180944 -0.0000000), wk = 0.0032258 k( 99) = ( 0.0606061 0.1049728 -0.0000000), wk = 0.0032258 k( 100) = ( 0.0530303 0.0918512 -0.0000000), wk = 0.0032258 k( 101) = ( 0.0454546 0.0787296 -0.0000000), wk = 0.0032258 k( 102) = ( 0.0378788 0.0656080 -0.0000000), wk = 0.0032258 k( 103) = ( 0.0303030 0.0524864 -0.0000000), wk = 0.0032258 k( 104) = ( 0.0227273 0.0393648 -0.0000000), wk = 0.0032258 k( 105) = ( 0.0151515 0.0262432 -0.0000000), wk = 0.0032258 k( 106) = ( 0.0075758 0.0131216 -0.0000000), wk = 0.0032258 k( 107) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032258 k( 108) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032258 k( 109) = ( 0.0000000 0.0000000 0.0153147), wk = 0.0032258 k( 110) = ( 0.0000000 0.0000000 0.0306294), wk = 0.0032258 k( 111) = ( 0.0000000 0.0000000 0.0459441), wk = 0.0032258 k( 112) = ( 0.0000000 0.0000000 0.0612588), wk = 0.0032258 k( 113) = ( 0.0000000 0.0000000 0.0765736), wk = 0.0032258 k( 114) = ( 0.0000000 0.0000000 0.0918883), wk = 0.0032258 k( 115) = ( 0.0000000 0.0000000 0.1072030), wk = 0.0032258 k( 116) = ( 0.0000000 0.0000000 0.1225177), wk = 0.0032258 k( 117) = ( 0.0000000 0.0000000 0.1378324), wk = 0.0032258 k( 118) = ( 0.0000000 0.0000000 0.1531471), wk = 0.0032258 k( 119) = ( 0.0000000 0.0000000 0.1684618), wk = 0.0032258 k( 120) = ( 0.0000000 0.0000000 0.1837765), wk = 0.0032258 k( 121) = ( 0.0000000 0.0000000 0.1990912), wk = 0.0032258 k( 122) = ( 0.0000000 0.0000000 0.2144059), wk = 0.0032258 k( 123) = ( 0.0000000 0.0000000 0.2297207), wk = 0.0032258 k( 124) = ( 0.0000000 0.0000000 0.2450354), wk = 0.0032258 k( 125) = ( 0.0000000 0.0000000 0.2603501), wk = 0.0032258 k( 126) = ( 0.0000000 0.0000000 0.2756648), wk = 0.0032258 k( 127) = ( 0.0000000 0.0000000 0.2909795), wk = 0.0032258 k( 128) = ( 0.0000000 0.0000000 0.3062942), wk = 0.0032258 k( 129) = ( 0.0000000 0.0000000 0.3216089), wk = 0.0032258 k( 130) = ( 0.0000000 0.0000000 0.3369236), wk = 0.0032258 k( 131) = ( 0.0000000 0.0000000 0.3522383), wk = 0.0032258 k( 132) = ( 0.0000000 0.0000000 0.3675530), wk = 0.0032258 k( 133) = ( 0.0000000 0.0000000 0.3828678), wk = 0.0032258 k( 134) = ( 0.0000000 0.0000000 0.3981825), wk = 0.0032258 k( 135) = ( 0.0000000 0.0000000 0.4134972), wk = 0.0032258 k( 136) = ( 0.0000000 0.0000000 0.4288119), wk = 0.0032258 k( 137) = ( 0.0000000 0.0000000 0.4441266), wk = 0.0032258 k( 138) = ( 0.0000000 0.0000000 0.4594413), wk = 0.0032258 k( 139) = ( 0.0000000 0.0000000 0.4747560), wk = 0.0032258 k( 140) = ( 0.0000000 0.0000000 0.4747560), wk = 0.0032258 k( 141) = ( 0.0131579 0.0075967 0.4747560), wk = 0.0032258 k( 142) = ( 0.0263158 0.0151934 0.4747560), wk = 0.0032258 k( 143) = ( 0.0394737 0.0227901 0.4747560), wk = 0.0032258 k( 144) = ( 0.0526316 0.0303869 0.4747560), wk = 0.0032258 k( 145) = ( 0.0657895 0.0379836 0.4747560), wk = 0.0032258 k( 146) = ( 0.0789474 0.0455803 0.4747560), wk = 0.0032258 k( 147) = ( 0.0921053 0.0531770 0.4747560), wk = 0.0032258 k( 148) = ( 0.1052632 0.0607737 0.4747560), wk = 0.0032258 k( 149) = ( 0.1184210 0.0683704 0.4747560), wk = 0.0032258 k( 150) = ( 0.1315790 0.0759671 0.4747560), wk = 0.0032258 k( 151) = ( 0.1447368 0.0835639 0.4747560), wk = 0.0032258 k( 152) = ( 0.1578947 0.0911606 0.4747560), wk = 0.0032258 k( 153) = ( 0.1710526 0.0987573 0.4747560), wk = 0.0032258 k( 154) = ( 0.1842105 0.1063540 0.4747560), wk = 0.0032258 k( 155) = ( 0.1973684 0.1139507 0.4747560), wk = 0.0032258 k( 156) = ( 0.2105263 0.1215474 0.4747560), wk = 0.0032258 k( 157) = ( 0.2236842 0.1291441 0.4747560), wk = 0.0032258 k( 158) = ( 0.2368421 0.1367409 0.4747560), wk = 0.0032258 k( 159) = ( 0.2500000 0.1443376 0.4747560), wk = 0.0032258 k( 160) = ( 0.2631579 0.1519343 0.4747560), wk = 0.0032258 k( 161) = ( 0.2763158 0.1595310 0.4747560), wk = 0.0032258 k( 162) = ( 0.2894737 0.1671277 0.4747560), wk = 0.0032258 k( 163) = ( 0.3026316 0.1747244 0.4747560), wk = 0.0032258 k( 164) = ( 0.3157895 0.1823211 0.4747560), wk = 0.0032258 k( 165) = ( 0.3289474 0.1899179 0.4747560), wk = 0.0032258 k( 166) = ( 0.3421053 0.1975146 0.4747560), wk = 0.0032258 k( 167) = ( 0.3552632 0.2051113 0.4747560), wk = 0.0032258 k( 168) = ( 0.3684211 0.2127080 0.4747560), wk = 0.0032258 k( 169) = ( 0.3815789 0.2203047 0.4747560), wk = 0.0032258 k( 170) = ( 0.3947368 0.2279014 0.4747560), wk = 0.0032258 k( 171) = ( 0.4078947 0.2354981 0.4747560), wk = 0.0032258 k( 172) = ( 0.4210526 0.2430948 0.4747560), wk = 0.0032258 k( 173) = ( 0.4342105 0.2506916 0.4747560), wk = 0.0032258 k( 174) = ( 0.4473684 0.2582883 0.4747560), wk = 0.0032258 k( 175) = ( 0.4605263 0.2658850 0.4747560), wk = 0.0032258 k( 176) = ( 0.4736842 0.2734817 0.4747560), wk = 0.0032258 k( 177) = ( 0.4868421 0.2810784 0.4747560), wk = 0.0032258 k( 178) = ( 0.5000000 0.2886751 0.4747560), wk = 0.0032258 k( 179) = ( 0.5000000 0.2886751 0.4747560), wk = 0.0032258 k( 180) = ( 0.4924242 0.3017967 0.4747560), wk = 0.0032258 k( 181) = ( 0.4848485 0.3149183 0.4747560), wk = 0.0032258 k( 182) = ( 0.4772727 0.3280399 0.4747560), wk = 0.0032258 k( 183) = ( 0.4696970 0.3411615 0.4747560), wk = 0.0032258 k( 184) = ( 0.4621212 0.3542831 0.4747560), wk = 0.0032258 k( 185) = ( 0.4545455 0.3674047 0.4747560), wk = 0.0032258 k( 186) = ( 0.4469697 0.3805263 0.4747560), wk = 0.0032258 k( 187) = ( 0.4393939 0.3936479 0.4747560), wk = 0.0032258 k( 188) = ( 0.4318182 0.4067695 0.4747560), wk = 0.0032258 k( 189) = ( 0.4242424 0.4198911 0.4747560), wk = 0.0032258 k( 190) = ( 0.4166667 0.4330127 0.4747560), wk = 0.0032258 k( 191) = ( 0.4090909 0.4461343 0.4747560), wk = 0.0032258 k( 192) = ( 0.4015151 0.4592559 0.4747560), wk = 0.0032258 k( 193) = ( 0.3939394 0.4723775 0.4747560), wk = 0.0032258 k( 194) = ( 0.3863636 0.4854991 0.4747560), wk = 0.0032258 k( 195) = ( 0.3787879 0.4986207 0.4747560), wk = 0.0032258 k( 196) = ( 0.3712121 0.5117423 0.4747560), wk = 0.0032258 k( 197) = ( 0.3636364 0.5248639 0.4747560), wk = 0.0032258 k( 198) = ( 0.3560606 0.5379855 0.4747560), wk = 0.0032258 k( 199) = ( 0.3484849 0.5511071 0.4747560), wk = 0.0032258 k( 200) = ( 0.3409091 0.5642287 0.4747560), wk = 0.0032258 k( 201) = ( 0.3333333 0.5773503 0.4747560), wk = 0.0032258 k( 202) = ( 0.3333333 0.5773503 0.4747560), wk = 0.0032258 k( 203) = ( 0.3257576 0.5642287 0.4747560), wk = 0.0032258 k( 204) = ( 0.3181818 0.5511071 0.4747560), wk = 0.0032258 k( 205) = ( 0.3106061 0.5379855 0.4747560), wk = 0.0032258 k( 206) = ( 0.3030303 0.5248639 0.4747560), wk = 0.0032258 k( 207) = ( 0.2954545 0.5117423 0.4747560), wk = 0.0032258 k( 208) = ( 0.2878788 0.4986207 0.4747560), wk = 0.0032258 k( 209) = ( 0.2803030 0.4854991 0.4747560), wk = 0.0032258 k( 210) = ( 0.2727273 0.4723775 0.4747560), wk = 0.0032258 k( 211) = ( 0.2651515 0.4592559 0.4747560), wk = 0.0032258 k( 212) = ( 0.2575758 0.4461343 0.4747560), wk = 0.0032258 k( 213) = ( 0.2500000 0.4330127 0.4747560), wk = 0.0032258 k( 214) = ( 0.2424242 0.4198911 0.4747560), wk = 0.0032258 k( 215) = ( 0.2348485 0.4067695 0.4747560), wk = 0.0032258 k( 216) = ( 0.2272727 0.3936479 0.4747560), wk = 0.0032258 k( 217) = ( 0.2196970 0.3805263 0.4747560), wk = 0.0032258 k( 218) = ( 0.2121212 0.3674047 0.4747560), wk = 0.0032258 k( 219) = ( 0.2045454 0.3542831 0.4747560), wk = 0.0032258 k( 220) = ( 0.1969697 0.3411615 0.4747560), wk = 0.0032258 k( 221) = ( 0.1893939 0.3280399 0.4747560), wk = 0.0032258 k( 222) = ( 0.1818182 0.3149183 0.4747560), wk = 0.0032258 k( 223) = ( 0.1742424 0.3017967 0.4747560), wk = 0.0032258 k( 224) = ( 0.1666667 0.2886751 0.4747560), wk = 0.0032258 k( 225) = ( 0.1590909 0.2755535 0.4747560), wk = 0.0032258 k( 226) = ( 0.1515151 0.2624319 0.4747560), wk = 0.0032258 k( 227) = ( 0.1439394 0.2493103 0.4747560), wk = 0.0032258 k( 228) = ( 0.1363636 0.2361888 0.4747560), wk = 0.0032258 k( 229) = ( 0.1287879 0.2230672 0.4747560), wk = 0.0032258 k( 230) = ( 0.1212121 0.2099456 0.4747560), wk = 0.0032258 k( 231) = ( 0.1136364 0.1968239 0.4747560), wk = 0.0032258 k( 232) = ( 0.1060606 0.1837024 0.4747560), wk = 0.0032258 k( 233) = ( 0.0984848 0.1705808 0.4747560), wk = 0.0032258 k( 234) = ( 0.0909091 0.1574592 0.4747560), wk = 0.0032258 k( 235) = ( 0.0833333 0.1443376 0.4747560), wk = 0.0032258 k( 236) = ( 0.0757576 0.1312160 0.4747560), wk = 0.0032258 k( 237) = ( 0.0681818 0.1180944 0.4747560), wk = 0.0032258 k( 238) = ( 0.0606061 0.1049728 0.4747560), wk = 0.0032258 k( 239) = ( 0.0530303 0.0918512 0.4747560), wk = 0.0032258 k( 240) = ( 0.0454546 0.0787296 0.4747560), wk = 0.0032258 k( 241) = ( 0.0378788 0.0656080 0.4747560), wk = 0.0032258 k( 242) = ( 0.0303030 0.0524864 0.4747560), wk = 0.0032258 k( 243) = ( 0.0227273 0.0393648 0.4747560), wk = 0.0032258 k( 244) = ( 0.0151515 0.0262432 0.4747560), wk = 0.0032258 k( 245) = ( 0.0075758 0.0131216 0.4747560), wk = 0.0032258 k( 246) = ( 0.0000000 0.0000000 0.4747560), wk = 0.0032258 k( 247) = ( 0.5000000 0.2886751 0.4747560), wk = 0.0032258 k( 248) = ( 0.5000000 0.2886751 0.4594413), wk = 0.0032258 k( 249) = ( 0.5000000 0.2886751 0.4441266), wk = 0.0032258 k( 250) = ( 0.5000000 0.2886751 0.4288119), wk = 0.0032258 k( 251) = ( 0.5000000 0.2886751 0.4134972), wk = 0.0032258 k( 252) = ( 0.5000000 0.2886751 0.3981825), wk = 0.0032258 k( 253) = ( 0.5000000 0.2886751 0.3828678), wk = 0.0032258 k( 254) = ( 0.5000000 0.2886751 0.3675530), wk = 0.0032258 k( 255) = ( 0.5000000 0.2886751 0.3522383), wk = 0.0032258 k( 256) = ( 0.5000000 0.2886751 0.3369236), wk = 0.0032258 k( 257) = ( 0.5000000 0.2886751 0.3216089), wk = 0.0032258 k( 258) = ( 0.5000000 0.2886751 0.3062942), wk = 0.0032258 k( 259) = ( 0.5000000 0.2886751 0.2909795), wk = 0.0032258 k( 260) = ( 0.5000000 0.2886751 0.2756648), wk = 0.0032258 k( 261) = ( 0.5000000 0.2886751 0.2603501), wk = 0.0032258 k( 262) = ( 0.5000000 0.2886751 0.2450354), wk = 0.0032258 k( 263) = ( 0.5000000 0.2886751 0.2297207), wk = 0.0032258 k( 264) = ( 0.5000000 0.2886751 0.2144059), wk = 0.0032258 k( 265) = ( 0.5000000 0.2886751 0.1990912), wk = 0.0032258 k( 266) = ( 0.5000000 0.2886751 0.1837765), wk = 0.0032258 k( 267) = ( 0.5000000 0.2886751 0.1684618), wk = 0.0032258 k( 268) = ( 0.5000000 0.2886751 0.1531471), wk = 0.0032258 k( 269) = ( 0.5000000 0.2886751 0.1378324), wk = 0.0032258 k( 270) = ( 0.5000000 0.2886751 0.1225177), wk = 0.0032258 k( 271) = ( 0.5000000 0.2886751 0.1072030), wk = 0.0032258 k( 272) = ( 0.5000000 0.2886751 0.0918883), wk = 0.0032258 k( 273) = ( 0.5000000 0.2886751 0.0765736), wk = 0.0032258 k( 274) = ( 0.5000000 0.2886751 0.0612588), wk = 0.0032258 k( 275) = ( 0.5000000 0.2886751 0.0459441), wk = 0.0032258 k( 276) = ( 0.5000000 0.2886751 0.0306294), wk = 0.0032258 k( 277) = ( 0.5000000 0.2886751 0.0153147), wk = 0.0032258 k( 278) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0032258 k( 279) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0032258 k( 280) = ( 0.3333333 0.5773503 0.0153147), wk = 0.0032258 k( 281) = ( 0.3333333 0.5773503 0.0306294), wk = 0.0032258 k( 282) = ( 0.3333333 0.5773503 0.0459441), wk = 0.0032258 k( 283) = ( 0.3333333 0.5773503 0.0612588), wk = 0.0032258 k( 284) = ( 0.3333333 0.5773503 0.0765736), wk = 0.0032258 k( 285) = ( 0.3333333 0.5773503 0.0918883), wk = 0.0032258 k( 286) = ( 0.3333333 0.5773503 0.1072030), wk = 0.0032258 k( 287) = ( 0.3333333 0.5773503 0.1225177), wk = 0.0032258 k( 288) = ( 0.3333333 0.5773503 0.1378324), wk = 0.0032258 k( 289) = ( 0.3333333 0.5773503 0.1531471), wk = 0.0032258 k( 290) = ( 0.3333333 0.5773503 0.1684618), wk = 0.0032258 k( 291) = ( 0.3333333 0.5773503 0.1837765), wk = 0.0032258 k( 292) = ( 0.3333333 0.5773503 0.1990912), wk = 0.0032258 k( 293) = ( 0.3333333 0.5773503 0.2144059), wk = 0.0032258 k( 294) = ( 0.3333333 0.5773503 0.2297207), wk = 0.0032258 k( 295) = ( 0.3333333 0.5773503 0.2450354), wk = 0.0032258 k( 296) = ( 0.3333333 0.5773503 0.2603501), wk = 0.0032258 k( 297) = ( 0.3333333 0.5773503 0.2756648), wk = 0.0032258 k( 298) = ( 0.3333333 0.5773503 0.2909795), wk = 0.0032258 k( 299) = ( 0.3333333 0.5773503 0.3062942), wk = 0.0032258 k( 300) = ( 0.3333333 0.5773503 0.3216089), wk = 0.0032258 k( 301) = ( 0.3333333 0.5773503 0.3369236), wk = 0.0032258 k( 302) = ( 0.3333333 0.5773503 0.3522383), wk = 0.0032258 k( 303) = ( 0.3333333 0.5773503 0.3675530), wk = 0.0032258 k( 304) = ( 0.3333333 0.5773503 0.3828678), wk = 0.0032258 k( 305) = ( 0.3333333 0.5773503 0.3981825), wk = 0.0032258 k( 306) = ( 0.3333333 0.5773503 0.4134972), wk = 0.0032258 k( 307) = ( 0.3333333 0.5773503 0.4288119), wk = 0.0032258 k( 308) = ( 0.3333333 0.5773503 0.4441266), wk = 0.0032258 k( 309) = ( 0.3333333 0.5773503 0.4594413), wk = 0.0032258 k( 310) = ( 0.3333333 0.5773503 0.4747560), wk = 0.0032258 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032258 k( 2) = ( 0.0131579 0.0000000 -0.0000000), wk = 0.0032258 k( 3) = ( 0.0263158 0.0000000 -0.0000000), wk = 0.0032258 k( 4) = ( 0.0394737 0.0000000 -0.0000000), wk = 0.0032258 k( 5) = ( 0.0526316 0.0000000 -0.0000000), wk = 0.0032258 k( 6) = ( 0.0657895 0.0000000 -0.0000000), wk = 0.0032258 k( 7) = ( 0.0789474 0.0000000 -0.0000000), wk = 0.0032258 k( 8) = ( 0.0921053 -0.0000000 -0.0000000), wk = 0.0032258 k( 9) = ( 0.1052632 0.0000000 -0.0000000), wk = 0.0032258 k( 10) = ( 0.1184210 -0.0000000 -0.0000000), wk = 0.0032258 k( 11) = ( 0.1315790 0.0000000 0.0000000), wk = 0.0032258 k( 12) = ( 0.1447368 0.0000000 -0.0000000), wk = 0.0032258 k( 13) = ( 0.1578947 0.0000000 -0.0000000), wk = 0.0032258 k( 14) = ( 0.1710526 0.0000000 -0.0000000), wk = 0.0032258 k( 15) = ( 0.1842105 -0.0000000 0.0000000), wk = 0.0032258 k( 16) = ( 0.1973684 0.0000000 -0.0000000), wk = 0.0032258 k( 17) = ( 0.2105263 0.0000000 -0.0000000), wk = 0.0032258 k( 18) = ( 0.2236842 -0.0000000 0.0000000), wk = 0.0032258 k( 19) = ( 0.2368421 -0.0000000 0.0000000), wk = 0.0032258 k( 20) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0032258 k( 21) = ( 0.2631579 0.0000000 -0.0000000), wk = 0.0032258 k( 22) = ( 0.2763158 0.0000000 -0.0000000), wk = 0.0032258 k( 23) = ( 0.2894737 0.0000000 -0.0000000), wk = 0.0032258 k( 24) = ( 0.3026316 0.0000000 -0.0000000), wk = 0.0032258 k( 25) = ( 0.3157895 -0.0000000 -0.0000000), wk = 0.0032258 k( 26) = ( 0.3289474 0.0000000 0.0000000), wk = 0.0032258 k( 27) = ( 0.3421053 0.0000000 -0.0000000), wk = 0.0032258 k( 28) = ( 0.3552632 -0.0000000 -0.0000000), wk = 0.0032258 k( 29) = ( 0.3684211 -0.0000000 0.0000000), wk = 0.0032258 k( 30) = ( 0.3815789 0.0000000 0.0000000), wk = 0.0032258 k( 31) = ( 0.3947368 0.0000000 -0.0000000), wk = 0.0032258 k( 32) = ( 0.4078947 0.0000000 -0.0000000), wk = 0.0032258 k( 33) = ( 0.4210526 -0.0000000 -0.0000000), wk = 0.0032258 k( 34) = ( 0.4342105 0.0000000 -0.0000000), wk = 0.0032258 k( 35) = ( 0.4473684 -0.0000000 0.0000000), wk = 0.0032258 k( 36) = ( 0.4605263 -0.0000000 -0.0000000), wk = 0.0032258 k( 37) = ( 0.4736842 0.0000000 -0.0000000), wk = 0.0032258 k( 38) = ( 0.4868421 -0.0000000 0.0000000), wk = 0.0032258 k( 39) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0032258 k( 40) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0032258 k( 41) = ( 0.4924242 0.0151515 0.0000000), wk = 0.0032258 k( 42) = ( 0.4848485 0.0303030 -0.0000000), wk = 0.0032258 k( 43) = ( 0.4772727 0.0454546 -0.0000000), wk = 0.0032258 k( 44) = ( 0.4696970 0.0606061 0.0000000), wk = 0.0032258 k( 45) = ( 0.4621212 0.0757576 0.0000000), wk = 0.0032258 k( 46) = ( 0.4545455 0.0909091 -0.0000000), wk = 0.0032258 k( 47) = ( 0.4469697 0.1060606 -0.0000000), wk = 0.0032258 k( 48) = ( 0.4393939 0.1212121 -0.0000000), wk = 0.0032258 k( 49) = ( 0.4318182 0.1363636 -0.0000000), wk = 0.0032258 k( 50) = ( 0.4242424 0.1515151 -0.0000000), wk = 0.0032258 k( 51) = ( 0.4166667 0.1666667 -0.0000000), wk = 0.0032258 k( 52) = ( 0.4090909 0.1818182 0.0000000), wk = 0.0032258 k( 53) = ( 0.4015151 0.1969697 0.0000000), wk = 0.0032258 k( 54) = ( 0.3939394 0.2121212 -0.0000000), wk = 0.0032258 k( 55) = ( 0.3863636 0.2272727 0.0000000), wk = 0.0032258 k( 56) = ( 0.3787879 0.2424242 0.0000000), wk = 0.0032258 k( 57) = ( 0.3712121 0.2575758 -0.0000000), wk = 0.0032258 k( 58) = ( 0.3636364 0.2727273 -0.0000000), wk = 0.0032258 k( 59) = ( 0.3560606 0.2878788 -0.0000000), wk = 0.0032258 k( 60) = ( 0.3484849 0.3030303 -0.0000000), wk = 0.0032258 k( 61) = ( 0.3409091 0.3181818 -0.0000000), wk = 0.0032258 k( 62) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0032258 k( 63) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0032258 k( 64) = ( 0.3257576 0.3257576 -0.0000000), wk = 0.0032258 k( 65) = ( 0.3181818 0.3181818 -0.0000000), wk = 0.0032258 k( 66) = ( 0.3106061 0.3106061 -0.0000000), wk = 0.0032258 k( 67) = ( 0.3030303 0.3030303 0.0000000), wk = 0.0032258 k( 68) = ( 0.2954545 0.2954545 -0.0000000), wk = 0.0032258 k( 69) = ( 0.2878788 0.2878788 0.0000000), wk = 0.0032258 k( 70) = ( 0.2803030 0.2803030 -0.0000000), wk = 0.0032258 k( 71) = ( 0.2727273 0.2727273 -0.0000000), wk = 0.0032258 k( 72) = ( 0.2651515 0.2651515 0.0000000), wk = 0.0032258 k( 73) = ( 0.2575758 0.2575758 -0.0000000), wk = 0.0032258 k( 74) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0032258 k( 75) = ( 0.2424242 0.2424242 0.0000000), wk = 0.0032258 k( 76) = ( 0.2348485 0.2348485 0.0000000), wk = 0.0032258 k( 77) = ( 0.2272727 0.2272727 -0.0000000), wk = 0.0032258 k( 78) = ( 0.2196970 0.2196970 -0.0000000), wk = 0.0032258 k( 79) = ( 0.2121212 0.2121212 -0.0000000), wk = 0.0032258 k( 80) = ( 0.2045454 0.2045454 -0.0000000), wk = 0.0032258 k( 81) = ( 0.1969697 0.1969697 -0.0000000), wk = 0.0032258 k( 82) = ( 0.1893939 0.1893939 -0.0000000), wk = 0.0032258 k( 83) = ( 0.1818182 0.1818182 -0.0000000), wk = 0.0032258 k( 84) = ( 0.1742424 0.1742424 0.0000000), wk = 0.0032258 k( 85) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0032258 k( 86) = ( 0.1590909 0.1590909 -0.0000000), wk = 0.0032258 k( 87) = ( 0.1515151 0.1515151 0.0000000), wk = 0.0032258 k( 88) = ( 0.1439394 0.1439394 -0.0000000), wk = 0.0032258 k( 89) = ( 0.1363636 0.1363636 -0.0000000), wk = 0.0032258 k( 90) = ( 0.1287879 0.1287879 -0.0000000), wk = 0.0032258 k( 91) = ( 0.1212121 0.1212121 0.0000000), wk = 0.0032258 k( 92) = ( 0.1136364 0.1136364 0.0000000), wk = 0.0032258 k( 93) = ( 0.1060606 0.1060606 -0.0000000), wk = 0.0032258 k( 94) = ( 0.0984848 0.0984849 -0.0000000), wk = 0.0032258 k( 95) = ( 0.0909091 0.0909091 -0.0000000), wk = 0.0032258 k( 96) = ( 0.0833333 0.0833333 0.0000000), wk = 0.0032258 k( 97) = ( 0.0757576 0.0757576 -0.0000000), wk = 0.0032258 k( 98) = ( 0.0681818 0.0681818 -0.0000000), wk = 0.0032258 k( 99) = ( 0.0606061 0.0606061 0.0000000), wk = 0.0032258 k( 100) = ( 0.0530303 0.0530303 0.0000000), wk = 0.0032258 k( 101) = ( 0.0454546 0.0454545 -0.0000000), wk = 0.0032258 k( 102) = ( 0.0378788 0.0378788 -0.0000000), wk = 0.0032258 k( 103) = ( 0.0303030 0.0303030 0.0000000), wk = 0.0032258 k( 104) = ( 0.0227273 0.0227273 -0.0000000), wk = 0.0032258 k( 105) = ( 0.0151515 0.0151515 -0.0000000), wk = 0.0032258 k( 106) = ( 0.0075758 0.0075758 -0.0000000), wk = 0.0032258 k( 107) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032258 k( 108) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032258 k( 109) = ( 0.0000000 0.0000000 0.0161290), wk = 0.0032258 k( 110) = ( 0.0000000 0.0000000 0.0322581), wk = 0.0032258 k( 111) = ( 0.0000000 0.0000000 0.0483871), wk = 0.0032258 k( 112) = ( 0.0000000 0.0000000 0.0645161), wk = 0.0032258 k( 113) = ( 0.0000000 0.0000000 0.0806452), wk = 0.0032258 k( 114) = ( 0.0000000 0.0000000 0.0967742), wk = 0.0032258 k( 115) = ( 0.0000000 0.0000000 0.1129032), wk = 0.0032258 k( 116) = ( 0.0000000 0.0000000 0.1290323), wk = 0.0032258 k( 117) = ( 0.0000000 0.0000000 0.1451613), wk = 0.0032258 k( 118) = ( 0.0000000 0.0000000 0.1612903), wk = 0.0032258 k( 119) = ( 0.0000000 0.0000000 0.1774194), wk = 0.0032258 k( 120) = ( 0.0000000 0.0000000 0.1935484), wk = 0.0032258 k( 121) = ( 0.0000000 0.0000000 0.2096774), wk = 0.0032258 k( 122) = ( 0.0000000 0.0000000 0.2258064), wk = 0.0032258 k( 123) = ( 0.0000000 0.0000000 0.2419355), wk = 0.0032258 k( 124) = ( 0.0000000 0.0000000 0.2580645), wk = 0.0032258 k( 125) = ( 0.0000000 0.0000000 0.2741936), wk = 0.0032258 k( 126) = ( 0.0000000 0.0000000 0.2903226), wk = 0.0032258 k( 127) = ( 0.0000000 0.0000000 0.3064516), wk = 0.0032258 k( 128) = ( 0.0000000 0.0000000 0.3225807), wk = 0.0032258 k( 129) = ( 0.0000000 0.0000000 0.3387097), wk = 0.0032258 k( 130) = ( 0.0000000 0.0000000 0.3548387), wk = 0.0032258 k( 131) = ( 0.0000000 0.0000000 0.3709677), wk = 0.0032258 k( 132) = ( 0.0000000 0.0000000 0.3870968), wk = 0.0032258 k( 133) = ( 0.0000000 0.0000000 0.4032258), wk = 0.0032258 k( 134) = ( 0.0000000 0.0000000 0.4193548), wk = 0.0032258 k( 135) = ( 0.0000000 0.0000000 0.4354839), wk = 0.0032258 k( 136) = ( 0.0000000 0.0000000 0.4516129), wk = 0.0032258 k( 137) = ( 0.0000000 0.0000000 0.4677419), wk = 0.0032258 k( 138) = ( 0.0000000 0.0000000 0.4838710), wk = 0.0032258 k( 139) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032258 k( 140) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032258 k( 141) = ( 0.0131579 0.0000000 0.5000000), wk = 0.0032258 k( 142) = ( 0.0263158 0.0000000 0.5000000), wk = 0.0032258 k( 143) = ( 0.0394737 0.0000000 0.5000000), wk = 0.0032258 k( 144) = ( 0.0526316 0.0000000 0.5000000), wk = 0.0032258 k( 145) = ( 0.0657895 0.0000000 0.5000000), wk = 0.0032258 k( 146) = ( 0.0789474 0.0000000 0.5000000), wk = 0.0032258 k( 147) = ( 0.0921053 -0.0000000 0.5000000), wk = 0.0032258 k( 148) = ( 0.1052632 0.0000000 0.5000000), wk = 0.0032258 k( 149) = ( 0.1184210 -0.0000000 0.5000000), wk = 0.0032258 k( 150) = ( 0.1315790 0.0000000 0.5000000), wk = 0.0032258 k( 151) = ( 0.1447368 0.0000000 0.5000000), wk = 0.0032258 k( 152) = ( 0.1578947 0.0000000 0.5000000), wk = 0.0032258 k( 153) = ( 0.1710526 0.0000000 0.5000000), wk = 0.0032258 k( 154) = ( 0.1842105 -0.0000000 0.5000000), wk = 0.0032258 k( 155) = ( 0.1973684 0.0000000 0.5000000), wk = 0.0032258 k( 156) = ( 0.2105263 0.0000000 0.5000000), wk = 0.0032258 k( 157) = ( 0.2236842 -0.0000000 0.5000000), wk = 0.0032258 k( 158) = ( 0.2368421 -0.0000000 0.5000000), wk = 0.0032258 k( 159) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0032258 k( 160) = ( 0.2631579 0.0000000 0.5000000), wk = 0.0032258 k( 161) = ( 0.2763158 0.0000000 0.5000000), wk = 0.0032258 k( 162) = ( 0.2894737 0.0000000 0.5000000), wk = 0.0032258 k( 163) = ( 0.3026316 0.0000000 0.5000000), wk = 0.0032258 k( 164) = ( 0.3157895 -0.0000000 0.5000000), wk = 0.0032258 k( 165) = ( 0.3289474 0.0000000 0.5000000), wk = 0.0032258 k( 166) = ( 0.3421053 0.0000000 0.5000000), wk = 0.0032258 k( 167) = ( 0.3552632 -0.0000000 0.5000000), wk = 0.0032258 k( 168) = ( 0.3684211 -0.0000000 0.5000000), wk = 0.0032258 k( 169) = ( 0.3815789 0.0000000 0.5000000), wk = 0.0032258 k( 170) = ( 0.3947368 0.0000000 0.5000000), wk = 0.0032258 k( 171) = ( 0.4078947 0.0000000 0.5000000), wk = 0.0032258 k( 172) = ( 0.4210526 -0.0000000 0.5000000), wk = 0.0032258 k( 173) = ( 0.4342105 0.0000000 0.5000000), wk = 0.0032258 k( 174) = ( 0.4473684 -0.0000000 0.5000000), wk = 0.0032258 k( 175) = ( 0.4605263 -0.0000000 0.5000000), wk = 0.0032258 k( 176) = ( 0.4736842 0.0000000 0.5000000), wk = 0.0032258 k( 177) = ( 0.4868421 -0.0000000 0.5000000), wk = 0.0032258 k( 178) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0032258 k( 179) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0032258 k( 180) = ( 0.4924242 0.0151515 0.5000000), wk = 0.0032258 k( 181) = ( 0.4848485 0.0303030 0.5000000), wk = 0.0032258 k( 182) = ( 0.4772727 0.0454546 0.5000000), wk = 0.0032258 k( 183) = ( 0.4696970 0.0606061 0.5000000), wk = 0.0032258 k( 184) = ( 0.4621212 0.0757576 0.5000000), wk = 0.0032258 k( 185) = ( 0.4545455 0.0909091 0.5000000), wk = 0.0032258 k( 186) = ( 0.4469697 0.1060606 0.5000000), wk = 0.0032258 k( 187) = ( 0.4393939 0.1212121 0.5000000), wk = 0.0032258 k( 188) = ( 0.4318182 0.1363636 0.5000000), wk = 0.0032258 k( 189) = ( 0.4242424 0.1515151 0.5000000), wk = 0.0032258 k( 190) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0032258 k( 191) = ( 0.4090909 0.1818182 0.5000000), wk = 0.0032258 k( 192) = ( 0.4015151 0.1969697 0.5000000), wk = 0.0032258 k( 193) = ( 0.3939394 0.2121212 0.5000000), wk = 0.0032258 k( 194) = ( 0.3863636 0.2272727 0.5000000), wk = 0.0032258 k( 195) = ( 0.3787879 0.2424242 0.5000000), wk = 0.0032258 k( 196) = ( 0.3712121 0.2575758 0.5000000), wk = 0.0032258 k( 197) = ( 0.3636364 0.2727273 0.5000000), wk = 0.0032258 k( 198) = ( 0.3560606 0.2878788 0.5000000), wk = 0.0032258 k( 199) = ( 0.3484849 0.3030303 0.5000000), wk = 0.0032258 k( 200) = ( 0.3409091 0.3181818 0.5000000), wk = 0.0032258 k( 201) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0032258 k( 202) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0032258 k( 203) = ( 0.3257576 0.3257576 0.5000000), wk = 0.0032258 k( 204) = ( 0.3181818 0.3181818 0.5000000), wk = 0.0032258 k( 205) = ( 0.3106061 0.3106061 0.5000000), wk = 0.0032258 k( 206) = ( 0.3030303 0.3030303 0.5000000), wk = 0.0032258 k( 207) = ( 0.2954545 0.2954545 0.5000000), wk = 0.0032258 k( 208) = ( 0.2878788 0.2878788 0.5000000), wk = 0.0032258 k( 209) = ( 0.2803030 0.2803030 0.5000000), wk = 0.0032258 k( 210) = ( 0.2727273 0.2727273 0.5000000), wk = 0.0032258 k( 211) = ( 0.2651515 0.2651515 0.5000000), wk = 0.0032258 k( 212) = ( 0.2575758 0.2575758 0.5000000), wk = 0.0032258 k( 213) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0032258 k( 214) = ( 0.2424242 0.2424242 0.5000000), wk = 0.0032258 k( 215) = ( 0.2348485 0.2348485 0.5000000), wk = 0.0032258 k( 216) = ( 0.2272727 0.2272727 0.5000000), wk = 0.0032258 k( 217) = ( 0.2196970 0.2196970 0.5000000), wk = 0.0032258 k( 218) = ( 0.2121212 0.2121212 0.5000000), wk = 0.0032258 k( 219) = ( 0.2045454 0.2045454 0.5000000), wk = 0.0032258 k( 220) = ( 0.1969697 0.1969697 0.5000000), wk = 0.0032258 k( 221) = ( 0.1893939 0.1893939 0.5000000), wk = 0.0032258 k( 222) = ( 0.1818182 0.1818182 0.5000000), wk = 0.0032258 k( 223) = ( 0.1742424 0.1742424 0.5000000), wk = 0.0032258 k( 224) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0032258 k( 225) = ( 0.1590909 0.1590909 0.5000000), wk = 0.0032258 k( 226) = ( 0.1515151 0.1515151 0.5000000), wk = 0.0032258 k( 227) = ( 0.1439394 0.1439394 0.5000000), wk = 0.0032258 k( 228) = ( 0.1363636 0.1363636 0.5000000), wk = 0.0032258 k( 229) = ( 0.1287879 0.1287879 0.5000000), wk = 0.0032258 k( 230) = ( 0.1212121 0.1212121 0.5000000), wk = 0.0032258 k( 231) = ( 0.1136364 0.1136364 0.5000000), wk = 0.0032258 k( 232) = ( 0.1060606 0.1060606 0.5000000), wk = 0.0032258 k( 233) = ( 0.0984848 0.0984849 0.5000000), wk = 0.0032258 k( 234) = ( 0.0909091 0.0909091 0.5000000), wk = 0.0032258 k( 235) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0032258 k( 236) = ( 0.0757576 0.0757576 0.5000000), wk = 0.0032258 k( 237) = ( 0.0681818 0.0681818 0.5000000), wk = 0.0032258 k( 238) = ( 0.0606061 0.0606061 0.5000000), wk = 0.0032258 k( 239) = ( 0.0530303 0.0530303 0.5000000), wk = 0.0032258 k( 240) = ( 0.0454546 0.0454545 0.5000000), wk = 0.0032258 k( 241) = ( 0.0378788 0.0378788 0.5000000), wk = 0.0032258 k( 242) = ( 0.0303030 0.0303030 0.5000000), wk = 0.0032258 k( 243) = ( 0.0227273 0.0227273 0.5000000), wk = 0.0032258 k( 244) = ( 0.0151515 0.0151515 0.5000000), wk = 0.0032258 k( 245) = ( 0.0075758 0.0075758 0.5000000), wk = 0.0032258 k( 246) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032258 k( 247) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0032258 k( 248) = ( 0.5000000 0.0000000 0.4838710), wk = 0.0032258 k( 249) = ( 0.5000000 0.0000000 0.4677419), wk = 0.0032258 k( 250) = ( 0.5000000 0.0000000 0.4516129), wk = 0.0032258 k( 251) = ( 0.5000000 0.0000000 0.4354839), wk = 0.0032258 k( 252) = ( 0.5000000 0.0000000 0.4193548), wk = 0.0032258 k( 253) = ( 0.5000000 0.0000000 0.4032258), wk = 0.0032258 k( 254) = ( 0.5000000 0.0000000 0.3870968), wk = 0.0032258 k( 255) = ( 0.5000000 0.0000000 0.3709677), wk = 0.0032258 k( 256) = ( 0.5000000 0.0000000 0.3548387), wk = 0.0032258 k( 257) = ( 0.5000000 0.0000000 0.3387097), wk = 0.0032258 k( 258) = ( 0.5000000 0.0000000 0.3225807), wk = 0.0032258 k( 259) = ( 0.5000000 0.0000000 0.3064516), wk = 0.0032258 k( 260) = ( 0.5000000 0.0000000 0.2903226), wk = 0.0032258 k( 261) = ( 0.5000000 0.0000000 0.2741936), wk = 0.0032258 k( 262) = ( 0.5000000 0.0000000 0.2580645), wk = 0.0032258 k( 263) = ( 0.5000000 0.0000000 0.2419355), wk = 0.0032258 k( 264) = ( 0.5000000 0.0000000 0.2258064), wk = 0.0032258 k( 265) = ( 0.5000000 0.0000000 0.2096774), wk = 0.0032258 k( 266) = ( 0.5000000 0.0000000 0.1935484), wk = 0.0032258 k( 267) = ( 0.5000000 0.0000000 0.1774194), wk = 0.0032258 k( 268) = ( 0.5000000 0.0000000 0.1612903), wk = 0.0032258 k( 269) = ( 0.5000000 0.0000000 0.1451613), wk = 0.0032258 k( 270) = ( 0.5000000 0.0000000 0.1290323), wk = 0.0032258 k( 271) = ( 0.5000000 0.0000000 0.1129032), wk = 0.0032258 k( 272) = ( 0.5000000 0.0000000 0.0967742), wk = 0.0032258 k( 273) = ( 0.5000000 0.0000000 0.0806452), wk = 0.0032258 k( 274) = ( 0.5000000 0.0000000 0.0645161), wk = 0.0032258 k( 275) = ( 0.5000000 0.0000000 0.0483871), wk = 0.0032258 k( 276) = ( 0.5000000 0.0000000 0.0322581), wk = 0.0032258 k( 277) = ( 0.5000000 0.0000000 0.0161290), wk = 0.0032258 k( 278) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0032258 k( 279) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0032258 k( 280) = ( 0.3333333 0.3333333 0.0161290), wk = 0.0032258 k( 281) = ( 0.3333333 0.3333333 0.0322581), wk = 0.0032258 k( 282) = ( 0.3333333 0.3333333 0.0483871), wk = 0.0032258 k( 283) = ( 0.3333333 0.3333333 0.0645161), wk = 0.0032258 k( 284) = ( 0.3333333 0.3333333 0.0806452), wk = 0.0032258 k( 285) = ( 0.3333333 0.3333333 0.0967742), wk = 0.0032258 k( 286) = ( 0.3333333 0.3333333 0.1129032), wk = 0.0032258 k( 287) = ( 0.3333333 0.3333333 0.1290323), wk = 0.0032258 k( 288) = ( 0.3333333 0.3333333 0.1451613), wk = 0.0032258 k( 289) = ( 0.3333333 0.3333333 0.1612903), wk = 0.0032258 k( 290) = ( 0.3333333 0.3333333 0.1774194), wk = 0.0032258 k( 291) = ( 0.3333333 0.3333333 0.1935484), wk = 0.0032258 k( 292) = ( 0.3333333 0.3333333 0.2096774), wk = 0.0032258 k( 293) = ( 0.3333333 0.3333333 0.2258064), wk = 0.0032258 k( 294) = ( 0.3333333 0.3333333 0.2419355), wk = 0.0032258 k( 295) = ( 0.3333333 0.3333333 0.2580645), wk = 0.0032258 k( 296) = ( 0.3333333 0.3333333 0.2741936), wk = 0.0032258 k( 297) = ( 0.3333333 0.3333333 0.2903226), wk = 0.0032258 k( 298) = ( 0.3333333 0.3333333 0.3064516), wk = 0.0032258 k( 299) = ( 0.3333333 0.3333333 0.3225807), wk = 0.0032258 k( 300) = ( 0.3333333 0.3333333 0.3387097), wk = 0.0032258 k( 301) = ( 0.3333333 0.3333333 0.3548387), wk = 0.0032258 k( 302) = ( 0.3333333 0.3333333 0.3709677), wk = 0.0032258 k( 303) = ( 0.3333333 0.3333333 0.3870968), wk = 0.0032258 k( 304) = ( 0.3333333 0.3333333 0.4032258), wk = 0.0032258 k( 305) = ( 0.3333333 0.3333333 0.4193548), wk = 0.0032258 k( 306) = ( 0.3333333 0.3333333 0.4354839), wk = 0.0032258 k( 307) = ( 0.3333333 0.3333333 0.4516129), wk = 0.0032258 k( 308) = ( 0.3333333 0.3333333 0.4677419), wk = 0.0032258 k( 309) = ( 0.3333333 0.3333333 0.4838710), wk = 0.0032258 k( 310) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0032258 Dense grid: 68017 G-vectors FFT dimensions: ( 54, 54, 60) Smooth grid: 30029 G-vectors FFT dimensions: ( 40, 40, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.24 Mb ( 232, 68) NL pseudopotentials 0.26 Mb ( 116, 146) Each V/rho on FFT grid 0.09 Mb ( 5832) Each G-vector array 0.01 Mb ( 1890) G-vector shells 0.01 Mb ( 881) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.96 Mb ( 232, 272) Each subspace H/S matrix 0.07 Mb ( 68, 68) Each matrix 0.30 Mb ( 146, 2, 68) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./CaxAsO3x2.save/charge-density.dat Starting wfc are 80 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.3 secs Computing kpt #: 2 total cpu time spent up to now is 4.3 secs Computing kpt #: 3 total cpu time spent up to now is 5.4 secs Computing kpt #: 4 total cpu time spent up to now is 6.5 secs Computing kpt #: 5 total cpu time spent up to now is 7.3 secs Computing kpt #: 6 total cpu time spent up to now is 8.2 secs Computing kpt #: 7 total cpu time spent up to now is 9.0 secs Computing kpt #: 8 total cpu time spent up to now is 9.9 secs Computing kpt #: 9 total cpu time spent up to now is 10.7 secs Computing kpt #: 10 total cpu time spent up to now is 11.6 secs Computing kpt #: 11 total cpu time spent up to now is 12.5 secs Computing kpt #: 12 total cpu time spent up to now is 13.4 secs Computing kpt #: 13 total cpu time spent up to now is 14.3 secs Computing kpt #: 14 total cpu time spent up to now is 15.2 secs Computing kpt #: 15 total cpu time spent up to now is 19.0 secs Computing kpt #: 16 total cpu time spent up to now is 19.9 secs Computing kpt #: 17 total cpu time spent up to now is 20.8 secs Computing kpt #: 18 total cpu time spent up to now is 21.7 secs Computing kpt #: 19 total cpu time spent up to now is 22.6 secs Computing kpt #: 20 total cpu time spent up to now is 23.6 secs Computing kpt #: 21 total cpu time spent up to now is 24.5 secs Computing kpt #: 22 total cpu time spent up to now is 25.3 secs Computing kpt #: 23 total cpu time spent up to now is 26.2 secs Computing kpt #: 24 total cpu time spent up to now is 27.1 secs Computing kpt #: 25 total cpu time spent up to now is 28.0 secs Computing kpt #: 26 total cpu time spent up to now is 28.9 secs Computing kpt #: 27 total cpu time spent up to now is 29.8 secs Computing kpt #: 28 total cpu time spent up to now is 30.6 secs Computing kpt #: 29 total cpu time spent up to now is 33.0 secs Computing kpt #: 30 total cpu time spent up to now is 33.9 secs Computing kpt #: 31 total cpu time spent up to now is 34.8 secs Computing kpt #: 32 total cpu time spent up to now is 35.7 secs Computing kpt #: 33 total cpu time spent up to now is 36.5 secs Computing kpt #: 34 total cpu time spent up to now is 37.4 secs Computing kpt #: 35 total cpu time spent up to now is 38.3 secs Computing kpt #: 36 total cpu time spent up to now is 39.2 secs Computing kpt #: 37 total cpu time spent up to now is 40.0 secs Computing kpt #: 38 total cpu time spent up to now is 41.3 secs Computing kpt #: 39 total cpu time spent up to now is 42.6 secs Computing kpt #: 40 total cpu time spent up to now is 43.8 secs Computing kpt #: 41 total cpu time spent up to now is 44.7 secs Computing kpt #: 42 total cpu time spent up to now is 45.6 secs Computing kpt #: 43 total cpu time spent up to now is 46.4 secs Computing kpt #: 44 total cpu time spent up to now is 47.3 secs Computing kpt #: 45 total cpu time spent up to now is 48.2 secs Computing kpt #: 46 total cpu time spent up to now is 49.1 secs Computing kpt #: 47 total cpu time spent up to now is 50.0 secs Computing kpt #: 48 total cpu time spent up to now is 50.9 secs Computing kpt #: 49 total cpu time spent up to now is 51.9 secs Computing kpt #: 50 total cpu time spent up to now is 52.8 secs Computing kpt #: 51 total cpu time spent up to now is 53.8 secs Computing kpt #: 52 total cpu time spent up to now is 54.7 secs Computing kpt #: 53 total cpu time spent up to now is 55.6 secs Computing kpt #: 54 total cpu time spent up to now is 56.5 secs Computing kpt #: 55 total cpu time spent up to now is 57.5 secs Computing kpt #: 56 total cpu time spent up to now is 58.5 secs Computing kpt #: 57 total cpu time spent up to now is 59.4 secs Computing kpt #: 58 total cpu time spent up to now is 60.3 secs Computing kpt #: 59 total cpu time spent up to now is 61.2 secs Computing kpt #: 60 total cpu time spent up to now is 62.1 secs Computing kpt #: 61 total cpu time spent up to now is 63.0 secs Computing kpt #: 62 total cpu time spent up to now is 64.0 secs Computing kpt #: 63 total cpu time spent up to now is 64.9 secs Computing kpt #: 64 total cpu time spent up to now is 65.8 secs Computing kpt #: 65 total cpu time spent up to now is 66.7 secs Computing kpt #: 66 total cpu time spent up to now is 67.7 secs Computing kpt #: 67 total cpu time spent up to now is 68.7 secs Computing kpt #: 68 total cpu time spent up to now is 69.6 secs Computing kpt #: 69 total cpu time spent up to now is 70.5 secs Computing kpt #: 70 total cpu time spent up to now is 71.4 secs Computing kpt #: 71 total cpu time spent up to now is 72.3 secs Computing kpt #: 72 total cpu time spent up to now is 73.2 secs Computing kpt #: 73 total cpu time spent up to now is 74.1 secs Computing kpt #: 74 total cpu time spent up to now is 75.0 secs Computing kpt #: 75 total cpu time spent up to now is 76.0 secs Computing kpt #: 76 total cpu time spent up to now is 76.9 secs Computing kpt #: 77 total cpu time spent up to now is 77.8 secs Computing kpt #: 78 total cpu time spent up to now is 78.7 secs Computing kpt #: 79 total cpu time spent up to now is 79.6 secs Computing kpt #: 80 total cpu time spent up to now is 80.5 secs Computing kpt #: 81 total cpu time spent up to now is 81.5 secs Computing kpt #: 82 total cpu time spent up to now is 82.4 secs Computing kpt #: 83 total cpu time spent up to now is 83.3 secs Computing kpt #: 84 total cpu time spent up to now is 84.1 secs Computing kpt #: 85 total cpu time spent up to now is 85.0 secs Computing kpt #: 86 total cpu time spent up to now is 85.9 secs Computing kpt #: 87 total cpu time spent up to now is 86.8 secs Computing kpt #: 88 total cpu time spent up to now is 87.7 secs Computing kpt #: 89 total cpu time spent up to now is 88.6 secs Computing kpt #: 90 total cpu time spent up to now is 89.4 secs Computing kpt #: 91 total cpu time spent up to now is 90.3 secs Computing kpt #: 92 total cpu time spent up to now is 91.2 secs Computing kpt #: 93 total cpu time spent up to now is 92.1 secs Computing kpt #: 94 total cpu time spent up to now is 92.9 secs Computing kpt #: 95 total cpu time spent up to now is 93.9 secs Computing kpt #: 96 total cpu time spent up to now is 94.7 secs Computing kpt #: 97 total cpu time spent up to now is 95.7 secs Computing kpt #: 98 total cpu time spent up to now is 96.5 secs Computing kpt #: 99 total cpu time spent up to now is 97.4 secs Computing kpt #: 100 total cpu time spent up to now is 98.2 secs Computing kpt #: 101 total cpu time spent up to now is 99.0 secs Computing kpt #: 102 total cpu time spent up to now is 99.9 secs Computing kpt #: 103 total cpu time spent up to now is 100.9 secs Computing kpt #: 104 total cpu time spent up to now is 102.0 secs Computing kpt #: 105 total cpu time spent up to now is 103.1 secs Computing kpt #: 106 total cpu time spent up to now is 104.1 secs Computing kpt #: 107 total cpu time spent up to now is 105.3 secs Computing kpt #: 108 total cpu time spent up to now is 106.4 secs Computing kpt #: 109 total cpu time spent up to now is 107.4 secs Computing kpt #: 110 total cpu time spent up to now is 108.5 secs Computing kpt #: 111 total cpu time spent up to now is 109.3 secs Computing kpt #: 112 total cpu time spent up to now is 110.1 secs Computing kpt #: 113 total cpu time spent up to now is 111.0 secs Computing kpt #: 114 total cpu time spent up to now is 111.8 secs Computing kpt #: 115 total cpu time spent up to now is 112.7 secs Computing kpt #: 116 total cpu time spent up to now is 113.4 secs Computing kpt #: 117 total cpu time spent up to now is 114.2 secs Computing kpt #: 118 total cpu time spent up to now is 114.9 secs Computing kpt #: 119 total cpu time spent up to now is 115.9 secs Computing kpt #: 120 total cpu time spent up to now is 116.8 secs Computing kpt #: 121 total cpu time spent up to now is 117.8 secs Computing kpt #: 122 total cpu time spent up to now is 118.5 secs Computing kpt #: 123 total cpu time spent up to now is 119.3 secs Computing kpt #: 124 total cpu time spent up to now is 120.1 secs Computing kpt #: 125 total cpu time spent up to now is 120.9 secs Computing kpt #: 126 total cpu time spent up to now is 121.7 secs Computing kpt #: 127 total cpu time spent up to now is 122.4 secs Computing kpt #: 128 total cpu time spent up to now is 123.3 secs Computing kpt #: 129 total cpu time spent up to now is 124.1 secs Computing kpt #: 130 total cpu time spent up to now is 124.9 secs Computing kpt #: 131 total cpu time spent up to now is 125.7 secs Computing kpt #: 132 total cpu time spent up to now is 126.6 secs Computing kpt #: 133 total cpu time spent up to now is 127.4 secs Computing kpt #: 134 total cpu time spent up to now is 128.2 secs Computing kpt #: 135 total cpu time spent up to now is 129.2 secs Computing kpt #: 136 total cpu time spent up to now is 130.1 secs Computing kpt #: 137 total cpu time spent up to now is 131.1 secs Computing kpt #: 138 total cpu time spent up to now is 132.0 secs Computing kpt #: 139 total cpu time spent up to now is 132.9 secs Computing kpt #: 140 total cpu time spent up to now is 133.9 secs Computing kpt #: 141 total cpu time spent up to now is 134.8 secs Computing kpt #: 142 total cpu time spent up to now is 135.6 secs Computing kpt #: 143 total cpu time spent up to now is 136.4 secs Computing kpt #: 144 total cpu time spent up to now is 137.3 secs Computing kpt #: 145 total cpu time spent up to now is 138.1 secs Computing kpt #: 146 total cpu time spent up to now is 138.9 secs Computing kpt #: 147 total cpu time spent up to now is 139.7 secs Computing kpt #: 148 total cpu time spent up to now is 140.5 secs Computing kpt #: 149 total cpu time spent up to now is 141.4 secs Computing kpt #: 150 total cpu time spent up to now is 142.2 secs Computing kpt #: 151 total cpu time spent up to now is 143.0 secs Computing kpt #: 152 total cpu time spent up to now is 143.8 secs Computing kpt #: 153 total cpu time spent up to now is 144.7 secs Computing kpt #: 154 total cpu time spent up to now is 145.5 secs Computing kpt #: 155 total cpu time spent up to now is 146.4 secs Computing kpt #: 156 total cpu time spent up to now is 147.2 secs Computing kpt #: 157 total cpu time spent up to now is 149.4 secs Computing kpt #: 158 total cpu time spent up to now is 150.2 secs Computing kpt #: 159 total cpu time spent up to now is 151.1 secs Computing kpt #: 160 total cpu time spent up to now is 151.9 secs Computing kpt #: 161 total cpu time spent up to now is 152.8 secs Computing kpt #: 162 total cpu time spent up to now is 153.6 secs Computing kpt #: 163 total cpu time spent up to now is 154.4 secs Computing kpt #: 164 total cpu time spent up to now is 155.3 secs Computing kpt #: 165 total cpu time spent up to now is 156.1 secs Computing kpt #: 166 total cpu time spent up to now is 156.9 secs Computing kpt #: 167 total cpu time spent up to now is 157.8 secs Computing kpt #: 168 total cpu time spent up to now is 158.6 secs Computing kpt #: 169 total cpu time spent up to now is 159.4 secs Computing kpt #: 170 total cpu time spent up to now is 160.3 secs Computing kpt #: 171 total cpu time spent up to now is 161.1 secs Computing kpt #: 172 total cpu time spent up to now is 162.0 secs Computing kpt #: 173 total cpu time spent up to now is 163.1 secs Computing kpt #: 174 total cpu time spent up to now is 163.9 secs Computing kpt #: 175 total cpu time spent up to now is 164.7 secs Computing kpt #: 176 total cpu time spent up to now is 165.6 secs Computing kpt #: 177 total cpu time spent up to now is 166.8 secs Computing kpt #: 178 total cpu time spent up to now is 167.9 secs Computing kpt #: 179 total cpu time spent up to now is 169.0 secs Computing kpt #: 180 total cpu time spent up to now is 170.2 secs Computing kpt #: 181 total cpu time spent up to now is 171.4 secs Computing kpt #: 182 total cpu time spent up to now is 172.3 secs Computing kpt #: 183 total cpu time spent up to now is 173.1 secs Computing kpt #: 184 total cpu time spent up to now is 174.0 secs Computing kpt #: 185 total cpu time spent up to now is 174.9 secs Computing kpt #: 186 total cpu time spent up to now is 175.8 secs Computing kpt #: 187 total cpu time spent up to now is 176.7 secs Computing kpt #: 188 total cpu time spent up to now is 177.6 secs Computing kpt #: 189 total cpu time spent up to now is 178.5 secs Computing kpt #: 190 total cpu time spent up to now is 179.4 secs Computing kpt #: 191 total cpu time spent up to now is 180.3 secs Computing kpt #: 192 total cpu time spent up to now is 181.1 secs Computing kpt #: 193 total cpu time spent up to now is 182.0 secs Computing kpt #: 194 total cpu time spent up to now is 182.9 secs Computing kpt #: 195 total cpu time spent up to now is 183.8 secs Computing kpt #: 196 total cpu time spent up to now is 184.6 secs Computing kpt #: 197 total cpu time spent up to now is 185.6 secs Computing kpt #: 198 total cpu time spent up to now is 186.5 secs Computing kpt #: 199 total cpu time spent up to now is 187.3 secs Computing kpt #: 200 total cpu time spent up to now is 188.2 secs Computing kpt #: 201 total cpu time spent up to now is 189.1 secs Computing kpt #: 202 total cpu time spent up to now is 189.9 secs Computing kpt #: 203 total cpu time spent up to now is 190.8 secs Computing kpt #: 204 total cpu time spent up to now is 191.7 secs Computing kpt #: 205 total cpu time spent up to now is 192.6 secs Computing kpt #: 206 total cpu time spent up to now is 193.5 secs Computing kpt #: 207 total cpu time spent up to now is 194.4 secs Computing kpt #: 208 total cpu time spent up to now is 195.3 secs Computing kpt #: 209 total cpu time spent up to now is 196.2 secs Computing kpt #: 210 total cpu time spent up to now is 197.1 secs Computing kpt #: 211 total cpu time spent up to now is 197.9 secs Computing kpt #: 212 total cpu time spent up to now is 198.8 secs Computing kpt #: 213 total cpu time spent up to now is 199.7 secs Computing kpt #: 214 total cpu time spent up to now is 200.6 secs Computing kpt #: 215 total cpu time spent up to now is 201.4 secs Computing kpt #: 216 total cpu time spent up to now is 202.3 secs Computing kpt #: 217 total cpu time spent up to now is 203.2 secs Computing kpt #: 218 total cpu time spent up to now is 204.1 secs Computing kpt #: 219 total cpu time spent up to now is 204.9 secs Computing kpt #: 220 total cpu time spent up to now is 205.8 secs Computing kpt #: 221 total cpu time spent up to now is 206.6 secs Computing kpt #: 222 total cpu time spent up to now is 207.5 secs Computing kpt #: 223 total cpu time spent up to now is 208.3 secs Computing kpt #: 224 total cpu time spent up to now is 209.1 secs Computing kpt #: 225 total cpu time spent up to now is 210.0 secs Computing kpt #: 226 total cpu time spent up to now is 210.8 secs Computing kpt #: 227 total cpu time spent up to now is 211.7 secs Computing kpt #: 228 total cpu time spent up to now is 212.5 secs Computing kpt #: 229 total cpu time spent up to now is 213.4 secs Computing kpt #: 230 total cpu time spent up to now is 214.2 secs Computing kpt #: 231 total cpu time spent up to now is 215.0 secs Computing kpt #: 232 total cpu time spent up to now is 215.8 secs Computing kpt #: 233 total cpu time spent up to now is 216.7 secs Computing kpt #: 234 total cpu time spent up to now is 217.5 secs Computing kpt #: 235 total cpu time spent up to now is 218.3 secs Computing kpt #: 236 total cpu time spent up to now is 219.1 secs Computing kpt #: 237 total cpu time spent up to now is 220.0 secs Computing kpt #: 238 total cpu time spent up to now is 220.8 secs Computing kpt #: 239 total cpu time spent up to now is 221.6 secs Computing kpt #: 240 total cpu time spent up to now is 222.4 secs Computing kpt #: 241 total cpu time spent up to now is 223.2 secs Computing kpt #: 242 total cpu time spent up to now is 224.0 secs Computing kpt #: 243 total cpu time spent up to now is 224.7 secs Computing kpt #: 244 total cpu time spent up to now is 225.5 secs Computing kpt #: 245 total cpu time spent up to now is 226.3 secs Computing kpt #: 246 total cpu time spent up to now is 227.3 secs Computing kpt #: 247 total cpu time spent up to now is 228.4 secs Computing kpt #: 248 total cpu time spent up to now is 229.5 secs Computing kpt #: 249 total cpu time spent up to now is 230.7 secs Computing kpt #: 250 total cpu time spent up to now is 231.5 secs Computing kpt #: 251 total cpu time spent up to now is 232.4 secs Computing kpt #: 252 total cpu time spent up to now is 233.2 secs Computing kpt #: 253 total cpu time spent up to now is 234.1 secs Computing kpt #: 254 total cpu time spent up to now is 235.0 secs Computing kpt #: 255 total cpu time spent up to now is 235.8 secs Computing kpt #: 256 total cpu time spent up to now is 236.7 secs Computing kpt #: 257 total cpu time spent up to now is 237.6 secs Computing kpt #: 258 total cpu time spent up to now is 238.5 secs Computing kpt #: 259 total cpu time spent up to now is 239.4 secs Computing kpt #: 260 total cpu time spent up to now is 240.3 secs Computing kpt #: 261 total cpu time spent up to now is 241.3 secs Computing kpt #: 262 total cpu time spent up to now is 242.3 secs Computing kpt #: 263 total cpu time spent up to now is 243.3 secs Computing kpt #: 264 total cpu time spent up to now is 244.3 secs Computing kpt #: 265 total cpu time spent up to now is 245.5 secs Computing kpt #: 266 total cpu time spent up to now is 246.7 secs Computing kpt #: 267 total cpu time spent up to now is 247.9 secs Computing kpt #: 268 total cpu time spent up to now is 248.9 secs Computing kpt #: 269 total cpu time spent up to now is 250.1 secs Computing kpt #: 270 total cpu time spent up to now is 251.0 secs Computing kpt #: 271 total cpu time spent up to now is 251.9 secs Computing kpt #: 272 total cpu time spent up to now is 252.8 secs Computing kpt #: 273 total cpu time spent up to now is 253.7 secs Computing kpt #: 274 total cpu time spent up to now is 254.6 secs Computing kpt #: 275 total cpu time spent up to now is 255.5 secs Computing kpt #: 276 total cpu time spent up to now is 256.4 secs Computing kpt #: 277 total cpu time spent up to now is 257.3 secs Computing kpt #: 278 total cpu time spent up to now is 259.0 secs Computing kpt #: 279 total cpu time spent up to now is 259.8 secs Computing kpt #: 280 total cpu time spent up to now is 260.8 secs Computing kpt #: 281 total cpu time spent up to now is 261.7 secs Computing kpt #: 282 total cpu time spent up to now is 262.6 secs Computing kpt #: 283 total cpu time spent up to now is 263.4 secs Computing kpt #: 284 total cpu time spent up to now is 264.3 secs Computing kpt #: 285 total cpu time spent up to now is 265.3 secs Computing kpt #: 286 total cpu time spent up to now is 266.2 secs Computing kpt #: 287 total cpu time spent up to now is 267.1 secs Computing kpt #: 288 total cpu time spent up to now is 268.0 secs Computing kpt #: 289 total cpu time spent up to now is 268.8 secs Computing kpt #: 290 total cpu time spent up to now is 269.7 secs Computing kpt #: 291 total cpu time spent up to now is 270.5 secs Computing kpt #: 292 total cpu time spent up to now is 271.4 secs Computing kpt #: 293 total cpu time spent up to now is 272.2 secs Computing kpt #: 294 total cpu time spent up to now is 273.1 secs Computing kpt #: 295 total cpu time spent up to now is 276.6 secs Computing kpt #: 296 total cpu time spent up to now is 277.4 secs Computing kpt #: 297 total cpu time spent up to now is 278.3 secs Computing kpt #: 298 total cpu time spent up to now is 279.1 secs Computing kpt #: 299 total cpu time spent up to now is 280.0 secs Computing kpt #: 300 total cpu time spent up to now is 280.8 secs Computing kpt #: 301 total cpu time spent up to now is 281.7 secs Computing kpt #: 302 total cpu time spent up to now is 282.5 secs Computing kpt #: 303 total cpu time spent up to now is 283.3 secs Computing kpt #: 304 total cpu time spent up to now is 284.2 secs Computing kpt #: 305 total cpu time spent up to now is 285.1 secs Computing kpt #: 306 total cpu time spent up to now is 286.0 secs Computing kpt #: 307 total cpu time spent up to now is 286.9 secs Computing kpt #: 308 total cpu time spent up to now is 287.8 secs Computing kpt #: 309 total cpu time spent up to now is 288.6 secs Computing kpt #: 310 total cpu time spent up to now is 289.6 secs ethr = 1.79E-08, avg # of iterations = 27.8 total cpu time spent up to now is 289.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3777 PWs) bands (ev): -31.1998 -31.1998 -14.8679 -14.8679 -12.7438 -12.7438 -12.4354 -12.4354 -12.2932 -12.2932 -11.5995 -11.5995 -11.5722 -11.5722 -10.9932 -10.9932 -10.0504 -10.0504 -10.0257 -10.0257 -5.3913 -5.3913 -0.9394 -0.9394 -0.1491 -0.1491 0.6595 0.6595 0.7071 0.7071 1.2579 1.2579 1.3130 1.3130 3.9100 3.9100 4.2258 4.2258 4.2284 4.2284 4.6143 4.6143 5.2450 5.2450 5.2641 5.2641 5.6215 5.6215 5.6458 5.6458 5.6673 5.6673 5.6873 5.6873 5.7201 5.7201 9.9325 9.9325 11.4988 11.4988 14.1426 14.1426 14.1532 14.1532 14.1650 14.1650 14.3744 14.3744 k = 0.0132 0.0076-0.0000 ( 3789 PWs) bands (ev): -31.1998 -31.1998 -14.8671 -14.8671 -12.7437 -12.7437 -12.4354 -12.4354 -12.2935 -12.2935 -11.6004 -11.6004 -11.5731 -11.5731 -10.9929 -10.9929 -10.0508 -10.0508 -10.0261 -10.0261 -5.3885 -5.3885 -0.9398 -0.9398 -0.1499 -0.1499 0.6601 0.6601 0.7078 0.7078 1.2592 1.2592 1.3144 1.3144 3.9122 3.9122 4.2190 4.2190 4.2268 4.2268 4.6203 4.6203 5.2443 5.2443 5.2635 5.2635 5.6125 5.6125 5.6298 5.6298 5.6737 5.6737 5.6883 5.6883 5.7326 5.7326 9.9361 9.9361 11.4990 11.4990 14.1421 14.1421 14.1529 14.1529 14.1648 14.1648 14.3752 14.3752 k = 0.0263 0.0152-0.0000 ( 3785 PWs) bands (ev): -31.1998 -31.1998 -14.8648 -14.8648 -12.7433 -12.7433 -12.4355 -12.4355 -12.2944 -12.2944 -11.6033 -11.6033 -11.5757 -11.5757 -10.9917 -10.9917 -10.0521 -10.0521 -10.0274 -10.0274 -5.3801 -5.3801 -0.9411 -0.9411 -0.1523 -0.1523 0.6620 0.6620 0.7097 0.7097 1.2625 1.2625 1.3194 1.3194 3.9184 3.9184 4.1969 4.1969 4.2250 4.2250 4.6372 4.6372 5.2421 5.2421 5.2617 5.2617 5.5893 5.5893 5.6015 5.6015 5.6737 5.6737 5.6999 5.6999 5.7570 5.7570 9.9469 9.9469 11.5000 11.5000 14.1406 14.1406 14.1521 14.1521 14.1645 14.1645 14.3775 14.3775 k = 0.0395 0.0228-0.0000 ( 3771 PWs) bands (ev): -31.1998 -31.1998 -14.8609 -14.8609 -12.7426 -12.7426 -12.4355 -12.4355 -12.2957 -12.2957 -11.6092 -11.6092 -11.5788 -11.5788 -10.9897 -10.9897 -10.0541 -10.0541 -10.0296 -10.0296 -5.3662 -5.3662 -0.9432 -0.9432 -0.1562 -0.1562 0.6650 0.6650 0.7129 0.7129 1.2658 1.2658 1.3298 1.3298 3.9287 3.9287 4.1633 4.1633 4.2223 4.2223 4.6616 4.6616 5.2379 5.2379 5.2593 5.2593 5.5579 5.5579 5.5688 5.5688 5.6731 5.6731 5.7125 5.7125 5.7840 5.7840 9.9646 9.9646 11.5015 11.5015 14.1379 14.1379 14.1510 14.1510 14.1643 14.1643 14.3813 14.3813 k = 0.0526 0.0304-0.0000 ( 3773 PWs) bands (ev): -31.1998 -31.1998 -14.8555 -14.8555 -12.7416 -12.7416 -12.4357 -12.4357 -12.2977 -12.2977 -11.6190 -11.6190 -11.5813 -11.5813 -10.9871 -10.9871 -10.0570 -10.0570 -10.0326 -10.0326 -5.3469 -5.3469 -0.9463 -0.9463 -0.1613 -0.1613 0.6691 0.6691 0.7176 0.7176 1.2673 1.2673 1.3471 1.3471 3.9428 3.9428 4.1215 4.1215 4.2187 4.2187 4.6906 4.6906 5.2309 5.2309 5.2570 5.2570 5.5209 5.5209 5.5335 5.5335 5.6734 5.6734 5.7231 5.7231 5.8110 5.8110 9.9890 9.9890 11.5035 11.5035 14.1336 14.1336 14.1495 14.1495 14.1642 14.1642 14.3864 14.3864 k = 0.0658 0.0380-0.0000 ( 3759 PWs) bands (ev): -31.1998 -31.1998 -14.8486 -14.8486 -12.7404 -12.7404 -12.4359 -12.4359 -12.3003 -12.3003 -11.6330 -11.6330 -11.5829 -11.5829 -10.9838 -10.9838 -10.0608 -10.0608 -10.0363 -10.0363 -5.3223 -5.3223 -0.9503 -0.9503 -0.1674 -0.1674 0.6742 0.6742 0.7237 0.7237 1.2666 1.2666 1.3717 1.3717 3.9604 3.9604 4.0739 4.0739 4.2144 4.2144 4.7216 4.7216 5.2206 5.2206 5.2550 5.2550 5.4788 5.4788 5.4970 5.4970 5.6743 5.6743 5.7318 5.7318 5.8372 5.8372 10.0197 10.0197 11.5060 11.5060 14.1282 14.1282 14.1474 14.1474 14.1645 14.1645 14.3928 14.3928 k = 0.0789 0.0456-0.0000 ( 3753 PWs) bands (ev): -31.1998 -31.1998 -14.8402 -14.8402 -12.7389 -12.7389 -12.4362 -12.4362 -12.3035 -12.3035 -11.6508 -11.6508 -11.5838 -11.5838 -10.9799 -10.9799 -10.0654 -10.0654 -10.0407 -10.0407 -5.2925 -5.2925 -0.9552 -0.9552 -0.1741 -0.1741 0.6801 0.6801 0.7313 0.7313 1.2641 1.2641 1.4026 1.4026 3.9802 3.9802 4.0228 4.0228 4.2098 4.2098 4.7529 4.7529 5.2064 5.2064 5.2533 5.2533 5.4324 5.4324 5.4604 5.4604 5.6757 5.6757 5.7385 5.7385 5.8623 5.8623 10.0561 10.0561 11.5089 11.5089 14.1215 14.1215 14.1446 14.1446 14.1652 14.1652 14.4004 14.4004 k = 0.0921 0.0532-0.0000 ( 3749 PWs) bands (ev): -31.1998 -31.1998 -14.8302 -14.8302 -12.7373 -12.7373 -12.4366 -12.4366 -12.3074 -12.3074 -11.6718 -11.6718 -11.5841 -11.5841 -10.9756 -10.9756 -10.0708 -10.0708 -10.0458 -10.0458 -5.2577 -5.2577 -0.9612 -0.9612 -0.1812 -0.1812 0.6868 0.6868 0.7405 0.7405 1.2605 1.2605 1.4390 1.4390 3.9647 3.9647 4.0060 4.0060 4.2054 4.2054 4.7834 4.7834 5.1875 5.1875 5.2517 5.2517 5.3834 5.3834 5.4241 5.4241 5.6775 5.6775 5.7437 5.7437 5.8859 5.8859 10.0976 10.0976 11.5121 11.5121 14.1140 14.1140 14.1408 14.1408 14.1663 14.1663 14.4093 14.4093 k = 0.1053 0.0608-0.0000 ( 3757 PWs) bands (ev): -31.1997 -31.1997 -14.8188 -14.8188 -12.7356 -12.7356 -12.4371 -12.4371 -12.3120 -12.3120 -11.6956 -11.6956 -11.5838 -11.5838 -10.9709 -10.9709 -10.0772 -10.0772 -10.0514 -10.0514 -5.2182 -5.2182 -0.9683 -0.9683 -0.1883 -0.1883 0.6941 0.6941 0.7514 0.7514 1.2561 1.2561 1.4801 1.4801 3.9080 3.9080 4.0288 4.0288 4.2025 4.2025 4.8122 4.8122 5.1621 5.1621 5.2496 5.2496 5.3343 5.3343 5.3888 5.3888 5.6796 5.6796 5.7475 5.7475 5.9081 5.9081 10.1437 10.1437 11.5154 11.5154 14.1057 14.1057 14.1359 14.1359 14.1677 14.1677 14.4193 14.4193 k = 0.1184 0.0684-0.0000 ( 3755 PWs) bands (ev): -31.1997 -31.1997 -14.8059 -14.8059 -12.7338 -12.7338 -12.4377 -12.4377 -12.3173 -12.3173 -11.7219 -11.7219 -11.5832 -11.5832 -10.9659 -10.9659 -10.0843 -10.0843 -10.0574 -10.0574 -5.1741 -5.1741 -0.9765 -0.9765 -0.1951 -0.1951 0.7019 0.7019 0.7639 0.7639 1.2512 1.2512 1.5252 1.5252 3.8488 3.8488 4.0510 4.0510 4.2031 4.2031 4.8386 4.8386 5.1277 5.1277 5.2457 5.2457 5.2884 5.2884 5.3561 5.3561 5.6822 5.6822 5.7500 5.7500 5.9287 5.9287 10.1937 10.1937 11.5187 11.5187 14.0968 14.0968 14.1299 14.1299 14.1693 14.1693 14.4307 14.4307 k = 0.1316 0.0760-0.0000 ( 3751 PWs) bands (ev): -31.1997 -31.1997 -14.7915 -14.7915 -12.7319 -12.7319 -12.4384 -12.4384 -12.3235 -12.3235 -11.7500 -11.7500 -11.5821 -11.5821 -10.9609 -10.9609 -10.0923 -10.0923 -10.0640 -10.0640 -5.1256 -5.1256 -0.9860 -0.9860 -0.2012 -0.2012 0.7101 0.7101 0.7781 0.7781 1.2461 1.2461 1.5738 1.5738 3.7881 3.7881 4.0683 4.0683 4.2104 4.2104 4.8620 4.8620 5.0819 5.0819 5.2368 5.2368 5.2492 5.2492 5.3292 5.3292 5.6852 5.6852 5.7514 5.7514 5.9478 5.9478 10.2471 10.2471 11.5219 11.5219 14.0875 14.0875 14.1227 14.1227 14.1710 14.1710 14.4433 14.4433 k = 0.1447 0.0836-0.0000 ( 3747 PWs) bands (ev): -31.1997 -31.1997 -14.7757 -14.7757 -12.7300 -12.7300 -12.4394 -12.4394 -12.3308 -12.3308 -11.7797 -11.7797 -11.5806 -11.5806 -10.9558 -10.9558 -10.1010 -10.1010 -10.0709 -10.0709 -5.0732 -5.0732 -0.9967 -0.9967 -0.2065 -0.2065 0.7188 0.7188 0.7938 0.7938 1.2411 1.2411 1.6251 1.6251 3.7265 3.7265 4.0774 4.0774 4.2276 4.2276 4.8819 4.8819 5.0252 5.0252 5.2147 5.2147 5.2212 5.2212 5.3125 5.3125 5.6886 5.6886 5.7518 5.7518 5.9652 5.9652 10.3031 10.3031 11.5249 11.5249 14.0777 14.0777 14.1142 14.1142 14.1727 14.1727 14.4574 14.4574 k = 0.1579 0.0912-0.0000 ( 3759 PWs) bands (ev): -31.1997 -31.1997 -14.7585 -14.7585 -12.7282 -12.7282 -12.4405 -12.4405 -12.3392 -12.3392 -11.8104 -11.8104 -11.5786 -11.5786 -10.9509 -10.9509 -10.1103 -10.1103 -10.0781 -10.0781 -5.0169 -5.0169 -1.0088 -1.0088 -0.2106 -0.2106 0.7277 0.7277 0.8110 0.8110 1.2363 1.2363 1.6786 1.6786 3.6644 3.6644 4.0777 4.0777 4.2548 4.2548 4.8972 4.8972 4.9610 4.9610 5.1868 5.1868 5.1947 5.1947 5.3066 5.3066 5.6925 5.6925 5.7512 5.7512 5.9811 5.9811 10.3612 10.3612 11.5275 11.5275 14.0675 14.0675 14.1043 14.1043 14.1744 14.1744 14.4730 14.4730 k = 0.1711 0.0988-0.0000 ( 3759 PWs) bands (ev): -31.1996 -31.1996 -14.7400 -14.7400 -12.7265 -12.7265 -12.4420 -12.4420 -12.3488 -12.3488 -11.8415 -11.8415 -11.5760 -11.5760 -10.9462 -10.9462 -10.1201 -10.1201 -10.0857 -10.0857 -4.9572 -4.9572 -1.0222 -1.0222 -0.2134 -0.2134 0.7369 0.7369 0.8295 0.8295 1.2318 1.2318 1.7336 1.7336 3.6024 3.6024 4.0713 4.0713 4.2894 4.2894 4.8822 4.8822 4.9181 4.9181 5.1585 5.1585 5.1657 5.1657 5.3080 5.3080 5.6969 5.6969 5.7496 5.7496 5.9954 5.9954 10.4207 10.4207 11.5296 11.5296 14.0570 14.0570 14.0932 14.0932 14.1760 14.1760 14.4901 14.4901 k = 0.1842 0.1064-0.0000 ( 3757 PWs) bands (ev): -31.1996 -31.1996 -14.7200 -14.7200 -12.7251 -12.7251 -12.4440 -12.4440 -12.3598 -12.3598 -11.8725 -11.8725 -11.5729 -11.5729 -10.9419 -10.9419 -10.1304 -10.1304 -10.0935 -10.0935 -4.8943 -4.8943 -1.0371 -1.0371 -0.2147 -0.2147 0.7464 0.7464 0.8494 0.8494 1.2277 1.2277 1.7895 1.7895 3.5409 3.5409 4.0603 4.0603 4.3289 4.3289 4.8116 4.8116 4.9242 4.9242 5.1252 5.1252 5.1409 5.1409 5.3132 5.3132 5.7019 5.7019 5.7472 5.7472 6.0082 6.0082 10.4812 10.4812 11.5310 11.5310 14.0461 14.0461 14.0809 14.0809 14.1775 14.1775 14.5090 14.5090 k = 0.1974 0.1140-0.0000 ( 3753 PWs) bands (ev): -31.1996 -31.1996 -14.6988 -14.6988 -12.7240 -12.7240 -12.4467 -12.4467 -12.3721 -12.3721 -11.9027 -11.9027 -11.5692 -11.5692 -10.9382 -10.9382 -10.1410 -10.1410 -10.1015 -10.1015 -4.8286 -4.8286 -1.0535 -1.0535 -0.2144 -0.2144 0.7561 0.7561 0.8703 0.8703 1.2242 1.2242 1.8454 1.8454 3.4805 3.4805 4.0463 4.0463 4.3709 4.3709 4.7368 4.7368 4.9300 4.9300 5.0898 5.0898 5.1181 5.1181 5.3206 5.3206 5.7075 5.7075 5.7439 5.7439 6.0195 6.0195 10.5420 10.5420 11.5317 11.5317 14.0349 14.0349 14.0675 14.0675 14.1790 14.1790 14.5295 14.5295 k = 0.2105 0.1215-0.0000 ( 3753 PWs) bands (ev): -31.1995 -31.1995 -14.6763 -14.6763 -12.7233 -12.7233 -12.4509 -12.4509 -12.3855 -12.3855 -11.9316 -11.9316 -11.5648 -11.5648 -10.9350 -10.9350 -10.1518 -10.1518 -10.1098 -10.1098 -4.7602 -4.7602 -1.0715 -1.0715 -0.2123 -0.2123 0.7659 0.7659 0.8922 0.8922 1.2214 1.2214 1.9006 1.9006 3.4220 3.4220 4.0298 4.0298 4.4128 4.4128 4.6633 4.6633 4.9333 4.9333 5.0541 5.0541 5.0960 5.0960 5.3290 5.3290 5.7138 5.7138 5.7398 5.7398 6.0295 6.0295 10.6026 10.6026 11.5316 11.5316 14.0232 14.0232 14.0534 14.0534 14.1804 14.1804 14.5517 14.5517 k = 0.2237 0.1291-0.0000 ( 3761 PWs) bands (ev): -31.1995 -31.1995 -14.6527 -14.6527 -12.7231 -12.7231 -12.4578 -12.4578 -12.3987 -12.3987 -11.9586 -11.9586 -11.5598 -11.5598 -10.9327 -10.9327 -10.1626 -10.1626 -10.1182 -10.1182 -4.6897 -4.6897 -1.0909 -1.0909 -0.2084 -0.2084 0.7759 0.7759 0.9150 0.9150 1.2193 1.2193 1.9542 1.9542 3.3662 3.3662 4.0110 4.0110 4.4482 4.4482 4.5981 4.5981 4.9338 4.9338 5.0187 5.0187 5.0744 5.0744 5.3376 5.3376 5.7207 5.7207 5.7349 5.7349 6.0381 6.0381 10.6627 10.6627 11.5306 11.5306 14.0109 14.0109 14.0389 14.0389 14.1817 14.1817 14.5757 14.5757 k = 0.2368 0.1367-0.0000 ( 3761 PWs) bands (ev): -31.1995 -31.1995 -14.6278 -14.6278 -12.7236 -12.7236 -12.4693 -12.4693 -12.4101 -12.4101 -11.9832 -11.9832 -11.5541 -11.5541 -10.9313 -10.9313 -10.1733 -10.1733 -10.1267 -10.1267 -4.6173 -4.6173 -1.1119 -1.1119 -0.2027 -0.2027 0.7858 0.7858 0.9384 0.9384 1.2178 1.2178 2.0049 2.0049 3.3142 3.3142 3.9898 3.9898 4.4505 4.4505 4.5683 4.5683 4.9314 4.9314 4.9846 4.9846 5.0533 5.0533 5.3457 5.3457 5.7284 5.7284 5.7292 5.7292 6.0456 6.0456 10.7216 10.7216 11.5287 11.5287 13.9979 13.9979 14.0245 14.0245 14.1829 14.1829 14.6016 14.6016 k = 0.2500 0.1443-0.0000 ( 3765 PWs) bands (ev): -31.1995 -31.1995 -14.6019 -14.6019 -12.7251 -12.7251 -12.4867 -12.4867 -12.4182 -12.4182 -12.0051 -12.0051 -11.5478 -11.5478 -10.9308 -10.9308 -10.1839 -10.1839 -10.1353 -10.1353 -4.5434 -4.5434 -1.1345 -1.1345 -0.1951 -0.1951 0.7958 0.7958 0.9624 0.9624 1.2172 1.2172 2.0516 2.0516 3.2671 3.2671 3.9659 3.9659 4.4027 4.4027 4.5917 4.5917 4.9235 4.9235 4.9550 4.9550 5.0329 5.0329 5.3530 5.3530 5.7226 5.7226 5.7368 5.7368 6.0519 6.0519 10.7790 10.7790 11.5260 11.5260 13.9838 13.9838 14.0106 14.0106 14.1842 14.1842 14.6291 14.6291 k = 0.2632 0.1519-0.0000 ( 3763 PWs) bands (ev): -31.1994 -31.1994 -14.5750 -14.5750 -12.7277 -12.7277 -12.5094 -12.5094 -12.4232 -12.4232 -12.0240 -12.0240 -11.5407 -11.5407 -10.9314 -10.9314 -10.1942 -10.1942 -10.1438 -10.1438 -4.4684 -4.4684 -1.1585 -1.1585 -0.1856 -0.1856 0.8057 0.8057 0.9866 0.9866 1.2173 1.2173 2.0928 2.0928 3.2262 3.2262 3.9386 3.9386 4.3411 4.3411 4.6325 4.6325 4.9021 4.9021 4.9381 4.9381 5.0136 5.0136 5.3588 5.3588 5.7153 5.7153 5.7458 5.7458 6.0572 6.0572 10.8345 10.8345 11.5226 11.5226 13.9687 13.9687 13.9977 13.9977 14.1857 14.1857 14.6585 14.6585 k = 0.2763 0.1595-0.0000 ( 3771 PWs) bands (ev): -31.1994 -31.1994 -14.5472 -14.5472 -12.7321 -12.7321 -12.5357 -12.5357 -12.4261 -12.4261 -12.0402 -12.0402 -11.5330 -11.5330 -10.9331 -10.9331 -10.2041 -10.2041 -10.1524 -10.1524 -4.3925 -4.3925 -1.1839 -1.1839 -0.1744 -0.1744 0.8153 0.8153 1.0109 1.0109 1.2183 1.2183 2.1270 2.1270 3.1932 3.1932 3.9071 3.9071 4.2811 4.2811 4.6760 4.6760 4.8715 4.8715 4.9302 4.9302 4.9962 4.9962 5.3631 5.3631 5.7072 5.7072 5.7555 5.7555 6.0616 6.0616 10.8875 10.8875 11.5186 11.5186 13.9525 13.9525 13.9858 13.9858 14.1873 14.1873 14.6897 14.6897 k = 0.2895 0.1671-0.0000 ( 3781 PWs) bands (ev): -31.1994 -31.1994 -14.5185 -14.5185 -12.7388 -12.7388 -12.5637 -12.5637 -12.4277 -12.4277 -12.0536 -12.0536 -11.5246 -11.5246 -10.9360 -10.9360 -10.2135 -10.2135 -10.1608 -10.1608 -4.3163 -4.3163 -1.2108 -1.2108 -0.1615 -0.1615 0.8248 0.8248 1.0351 1.0351 1.2202 1.2202 2.1528 2.1528 3.1693 3.1693 3.8704 3.8704 4.2268 4.2268 4.7178 4.7178 4.8392 4.8392 4.9240 4.9240 4.9820 4.9820 5.3655 5.3655 5.6984 5.6984 5.7657 5.7657 6.0652 6.0652 10.9377 10.9377 11.5143 11.5143 13.9357 13.9357 13.9747 13.9747 14.1891 14.1891 14.7225 14.7225 k = 0.3026 0.1747-0.0000 ( 3777 PWs) bands (ev): -31.1993 -31.1993 -14.4892 -14.4892 -12.7491 -12.7491 -12.5913 -12.5913 -12.4285 -12.4285 -12.0646 -12.0646 -11.5156 -11.5156 -10.9401 -10.9401 -10.2223 -10.2223 -10.1691 -10.1691 -4.2401 -4.2401 -1.2388 -1.2388 -0.1471 -0.1471 0.8339 0.8339 1.0588 1.0588 1.2230 1.2230 2.1689 2.1689 3.1557 3.1557 3.8284 3.8284 4.1802 4.1802 4.7544 4.7544 4.8070 4.8070 4.9182 4.9182 4.9734 4.9734 5.3661 5.3661 5.6888 5.6888 5.7763 5.7763 6.0680 6.0680 10.9847 10.9847 11.5101 11.5101 13.9185 13.9185 13.9645 13.9645 14.1912 14.1912 14.7572 14.7572 k = 0.3158 0.1823-0.0000 ( 3777 PWs) bands (ev): -31.1993 -31.1993 -14.4593 -14.4593 -12.7643 -12.7643 -12.6162 -12.6162 -12.4289 -12.4289 -12.0734 -12.0734 -11.5060 -11.5060 -10.9453 -10.9453 -10.2304 -10.2304 -10.1771 -10.1771 -4.1644 -4.1644 -1.2679 -1.2679 -0.1312 -0.1312 0.8426 0.8426 1.0816 1.0816 1.2269 1.2269 2.1750 2.1750 3.1529 3.1529 3.7812 3.7812 4.1415 4.1415 4.7749 4.7749 4.7820 4.7820 4.9125 4.9125 4.9742 4.9742 5.3648 5.3648 5.6784 5.6784 5.7871 5.7871 6.0703 6.0703 11.0279 11.0279 11.5063 11.5063 13.9013 13.9013 13.9549 13.9549 14.1937 14.1937 14.7935 14.7935 k = 0.3289 0.1899-0.0000 ( 3785 PWs) bands (ev): -31.1993 -31.1993 -14.4291 -14.4291 -12.7856 -12.7856 -12.6367 -12.6367 -12.4288 -12.4288 -12.0804 -12.0804 -11.4958 -11.4958 -10.9517 -10.9517 -10.2379 -10.2379 -10.1849 -10.1849 -4.0897 -4.0897 -1.2979 -1.2979 -0.1141 -0.1141 0.8508 0.8508 1.1031 1.1031 1.2320 1.2320 2.1713 2.1713 3.1606 3.1606 3.7302 3.7302 4.1104 4.1104 4.7442 4.7442 4.7957 4.7957 4.9070 4.9070 4.9879 4.9879 5.3618 5.3618 5.6673 5.6673 5.7980 5.7980 6.0721 6.0721 11.0669 11.0669 11.5034 11.5034 13.8841 13.8841 13.9460 13.9460 14.1964 14.1964 14.8316 14.8316 k = 0.3421 0.1975-0.0000 ( 3785 PWs) bands (ev): -31.1993 -31.1993 -14.3986 -14.3986 -12.8127 -12.8127 -12.6522 -12.6522 -12.4285 -12.4285 -12.0859 -12.0859 -11.4851 -11.4851 -10.9592 -10.9592 -10.2447 -10.2447 -10.1924 -10.1924 -4.0164 -4.0164 -1.3286 -1.3286 -0.0960 -0.0960 0.8584 0.8584 1.1227 1.1227 1.2388 1.2388 2.1589 2.1589 3.1775 3.1775 3.6770 3.6770 4.0857 4.0857 4.7141 4.7141 4.7971 4.7971 4.9018 4.9018 5.0139 5.0139 5.3571 5.3571 5.6553 5.6553 5.8088 5.8088 6.0734 6.0734 11.1012 11.1012 11.5019 11.5019 13.8672 13.8672 13.9377 13.9377 14.1995 14.1995 14.8713 14.8713 k = 0.3553 0.2051-0.0000 ( 3785 PWs) bands (ev): -31.1992 -31.1992 -14.3683 -14.3683 -12.8444 -12.8444 -12.6634 -12.6634 -12.4279 -12.4279 -12.0901 -12.0901 -11.4740 -11.4740 -10.9676 -10.9676 -10.2508 -10.2508 -10.1995 -10.1995 -3.9451 -3.9451 -1.3597 -1.3597 -0.0772 -0.0772 0.8654 0.8654 1.1398 1.1398 1.2474 1.2474 2.1396 2.1396 3.2019 3.2019 3.6232 3.6232 4.0662 4.0662 4.6849 4.6849 4.7901 4.7901 4.8969 4.8969 5.0478 5.0478 5.3511 5.3511 5.6426 5.6426 5.8193 5.8193 6.0744 6.0744 11.1304 11.1304 11.5023 11.5023 13.8507 13.8507 13.9301 13.9301 14.2029 14.2029 14.9126 14.9126 k = 0.3684 0.2127-0.0000 ( 3773 PWs) bands (ev): -31.1992 -31.1992 -14.3382 -14.3382 -12.8789 -12.8789 -12.6715 -12.6715 -12.4272 -12.4272 -12.0933 -12.0933 -11.4627 -11.4627 -10.9768 -10.9768 -10.2561 -10.2561 -10.2061 -10.2061 -3.8764 -3.8764 -1.3908 -1.3908 -0.0579 -0.0579 0.8717 0.8717 1.1541 1.1541 1.2580 1.2580 2.1153 2.1153 3.2320 3.2320 3.5704 3.5704 4.0508 4.0508 4.6568 4.6568 4.7786 4.7786 4.8924 4.8924 5.0857 5.0857 5.3439 5.3439 5.6289 5.6289 5.8295 5.8295 6.0752 6.0752 11.1543 11.1543 11.5049 11.5049 13.8347 13.8347 13.9232 13.9232 14.2066 14.2066 14.9555 14.9555 k = 0.3816 0.2203-0.0000 ( 3771 PWs) bands (ev): -31.1992 -31.1992 -14.3087 -14.3087 -12.9145 -12.9145 -12.6774 -12.6774 -12.4265 -12.4265 -12.0956 -12.0956 -11.4512 -11.4512 -10.9866 -10.9866 -10.2608 -10.2608 -10.2123 -10.2123 -3.8109 -3.8109 -1.4215 -1.4215 -0.0386 -0.0386 0.8773 0.8773 1.1655 1.1655 1.2704 1.2704 2.0878 2.0878 3.2656 3.2656 3.5197 3.5197 4.0388 4.0388 4.6299 4.6299 4.7651 4.7651 4.8884 4.8884 5.1250 5.1250 5.3358 5.3358 5.6144 5.6144 5.8391 5.8391 6.0757 6.0757 11.1729 11.1729 11.5099 11.5099 13.8195 13.8195 13.9169 13.9169 14.2103 14.2103 15.0000 15.0000 k = 0.3947 0.2279-0.0000 ( 3772 PWs) bands (ev): -31.1992 -31.1992 -14.2802 -14.2802 -12.9499 -12.9499 -12.6820 -12.6820 -12.4257 -12.4257 -12.0974 -12.0974 -11.4397 -11.4397 -10.9967 -10.9967 -10.2648 -10.2648 -10.2180 -10.2180 -3.7493 -3.7493 -1.4514 -1.4514 -0.0196 -0.0196 0.8821 0.8821 1.1743 1.1743 1.2840 1.2840 2.0590 2.0590 3.3009 3.3009 3.4722 3.4722 4.0294 4.0294 4.6044 4.6044 4.7510 4.7510 4.8849 4.8849 5.1644 5.1644 5.3272 5.3272 5.5990 5.5990 5.8480 5.8480 6.0761 6.0761 11.1865 11.1865 11.5169 11.5169 13.8051 13.8051 13.9112 13.9112 14.2140 14.2140 15.0460 15.0460 k = 0.4079 0.2355-0.0000 ( 3760 PWs) bands (ev): -31.1991 -31.1991 -14.2531 -14.2531 -12.9840 -12.9840 -12.6855 -12.6855 -12.4249 -12.4249 -12.0986 -12.0986 -11.4285 -11.4285 -11.0070 -11.0070 -10.2682 -10.2682 -10.2232 -10.2232 -3.6922 -3.6922 -1.4800 -1.4800 -0.0013 -0.0013 0.8861 0.8861 1.1809 1.1809 1.2979 1.2979 2.0302 2.0302 3.3360 3.3360 3.4290 3.4290 4.0222 4.0222 4.5806 4.5806 4.7372 4.7372 4.8820 4.8820 5.2031 5.2031 5.3184 5.3184 5.5825 5.5825 5.8561 5.8561 6.0763 6.0763 11.1959 11.1959 11.5255 11.5255 13.7918 13.7918 13.9063 13.9063 14.2177 14.2177 15.0933 15.0933 k = 0.4211 0.2431-0.0000 ( 3752 PWs) bands (ev): -31.1991 -31.1991 -14.2280 -14.2280 -13.0158 -13.0158 -12.6883 -12.6883 -12.4241 -12.4241 -12.0994 -12.0994 -11.4178 -11.4178 -11.0170 -11.0170 -10.2710 -10.2710 -10.2277 -10.2277 -3.6406 -3.6406 -1.5066 -1.5066 0.0159 0.0159 0.8895 0.8895 1.1858 1.1858 1.3115 1.3115 2.0028 2.0028 3.3665 3.3665 3.3936 3.3936 4.0167 4.0167 4.5587 4.5587 4.7244 4.7244 4.8796 4.8796 5.2406 5.2406 5.3098 5.3098 5.5649 5.5649 5.8633 5.8633 6.0765 6.0765 11.2017 11.2017 11.5349 11.5349 13.7798 13.7798 13.9020 13.9020 14.2212 14.2212 15.1418 15.1418 k = 0.4342 0.2507-0.0000 ( 3760 PWs) bands (ev): -31.1991 -31.1991 -14.2053 -14.2053 -13.0446 -13.0446 -12.6906 -12.6906 -12.4234 -12.4234 -12.1000 -12.1000 -11.4079 -11.4079 -11.0266 -11.0266 -10.2733 -10.2733 -10.2316 -10.2316 -3.5951 -3.5951 -1.5306 -1.5306 0.0314 0.0314 0.8921 0.8921 1.1895 1.1895 1.3241 1.3241 1.9779 1.9779 3.3522 3.3522 3.4054 3.4054 4.0126 4.0126 4.5391 4.5391 4.7128 4.7128 4.8777 4.8777 5.2767 5.2767 5.3017 5.3017 5.5462 5.5462 5.8695 5.8695 6.0766 6.0766 11.2050 11.2050 11.5443 11.5443 13.7692 13.7692 13.8983 13.8983 14.2243 14.2243 15.1911 15.1911 k = 0.4474 0.2583-0.0000 ( 3758 PWs) bands (ev): -31.1991 -31.1991 -14.1855 -14.1855 -13.0695 -13.0695 -12.6924 -12.6924 -12.4228 -12.4228 -12.1004 -12.1004 -11.3991 -11.3991 -11.0351 -11.0351 -10.2751 -10.2751 -10.2349 -10.2349 -3.5565 -3.5565 -1.5515 -1.5515 0.0449 0.0449 0.8940 0.8940 1.1922 1.1922 1.3350 1.3350 1.9564 1.9564 3.3247 3.3247 3.4321 3.4321 4.0097 4.0097 4.5221 4.5221 4.7029 4.7029 4.8762 4.8762 5.2945 5.2945 5.3113 5.3113 5.5262 5.5262 5.8747 5.8747 6.0767 6.0767 11.2066 11.2066 11.5530 11.5530 13.7602 13.7602 13.8953 13.8953 14.2271 14.2271 15.2408 15.2408 k = 0.4605 0.2659-0.0000 ( 3760 PWs) bands (ev): -31.1991 -31.1991 -14.1694 -14.1694 -13.0898 -13.0898 -12.6937 -12.6937 -12.4223 -12.4223 -12.1006 -12.1006 -11.3917 -11.3917 -11.0423 -11.0423 -10.2764 -10.2764 -10.2374 -10.2374 -3.5255 -3.5255 -1.5685 -1.5685 0.0559 0.0559 0.8954 0.8954 1.1942 1.1942 1.3440 1.3440 1.9389 1.9389 3.3024 3.3024 3.4546 3.4546 4.0076 4.0076 4.5084 4.5084 4.6949 4.6949 4.8751 4.8751 5.2885 5.2885 5.3440 5.3440 5.5048 5.5048 5.8788 5.8788 6.0767 6.0767 11.2071 11.2071 11.5604 11.5604 13.7531 13.7531 13.8930 13.8930 14.2292 14.2292 15.2896 15.2896 k = 0.4737 0.2735-0.0000 ( 3764 PWs) bands (ev): -31.1991 -31.1991 -14.1574 -14.1574 -13.1049 -13.1049 -12.6947 -12.6947 -12.4219 -12.4219 -12.1007 -12.1007 -11.3861 -11.3861 -11.0478 -11.0478 -10.2774 -10.2774 -10.2393 -10.2393 -3.5029 -3.5029 -1.5811 -1.5811 0.0641 0.0641 0.8964 0.8964 1.1955 1.1955 1.3506 1.3506 1.9260 1.9260 3.2861 3.2861 3.4715 3.4715 4.0063 4.0063 4.4982 4.4982 4.6891 4.6891 4.8744 4.8744 5.2840 5.2840 5.3751 5.3751 5.4821 5.4821 5.8818 5.8818 6.0767 6.0767 11.2071 11.2071 11.5660 11.5660 13.7479 13.7479 13.8913 13.8913 14.2309 14.2309 15.3352 15.3352 k = 0.4868 0.2811-0.0000 ( 3764 PWs) bands (ev): -31.1991 -31.1991 -14.1500 -14.1500 -13.1142 -13.1142 -12.6952 -12.6952 -12.4217 -12.4217 -12.1008 -12.1008 -11.3826 -11.3826 -11.0513 -11.0513 -10.2779 -10.2779 -10.2404 -10.2404 -3.4891 -3.4891 -1.5888 -1.5888 0.0691 0.0691 0.8969 0.8969 1.1962 1.1962 1.3546 1.3546 1.9181 1.9181 3.2763 3.2763 3.4820 3.4820 4.0056 4.0056 4.4919 4.4919 4.6855 4.6855 4.8740 4.8740 5.2812 5.2812 5.4043 5.4043 5.4578 5.4578 5.8836 5.8836 6.0767 6.0767 11.2070 11.2070 11.5695 11.5695 13.7447 13.7447 13.8903 13.8903 14.2319 14.2319 15.3728 15.3728 k = 0.5000 0.2887-0.0000 ( 3764 PWs) bands (ev): -31.1991 -31.1991 -14.1475 -14.1475 -13.1173 -13.1173 -12.6954 -12.6954 -12.4216 -12.4216 -12.1008 -12.1008 -11.3814 -11.3814 -11.0525 -11.0525 -10.2781 -10.2781 -10.2408 -10.2408 -3.4845 -3.4845 -1.5914 -1.5914 0.0708 0.0708 0.8971 0.8971 1.1965 1.1965 1.3560 1.3560 1.9155 1.9155 3.2729 3.2729 3.4856 3.4856 4.0054 4.0054 4.4897 4.4897 4.6843 4.6843 4.8739 4.8739 5.2803 5.2803 5.4313 5.4313 5.4325 5.4325 5.8842 5.8842 6.0767 6.0767 11.2069 11.2069 11.5707 11.5707 13.7436 13.7436 13.8900 13.8900 14.2322 14.2322 15.3908 15.3908 k = 0.5000 0.2887-0.0000 ( 3764 PWs) bands (ev): -31.1991 -31.1991 -14.1475 -14.1475 -13.1173 -13.1173 -12.6954 -12.6954 -12.4216 -12.4216 -12.1008 -12.1008 -11.3814 -11.3814 -11.0525 -11.0525 -10.2781 -10.2781 -10.2408 -10.2408 -3.4845 -3.4845 -1.5914 -1.5914 0.0708 0.0708 0.8971 0.8971 1.1965 1.1965 1.3560 1.3560 1.9155 1.9155 3.2729 3.2729 3.4856 3.4856 4.0054 4.0054 4.4897 4.4897 4.6843 4.6843 4.8739 4.8739 5.2803 5.2803 5.4313 5.4313 5.4325 5.4325 5.8842 5.8842 6.0767 6.0767 11.2069 11.2069 11.5707 11.5707 13.7436 13.7436 13.8900 13.8900 14.2322 14.2322 15.3908 15.3908 k = 0.4924 0.3018-0.0000 ( 3768 PWs) bands (ev): -31.1991 -31.1991 -14.1466 -14.1466 -13.1198 -13.1198 -12.6940 -12.6940 -12.4208 -12.4208 -12.1008 -12.1008 -11.3829 -11.3829 -11.0519 -11.0519 -10.2907 -10.2907 -10.2284 -10.2284 -3.4821 -3.4821 -1.5938 -1.5938 0.0715 0.0715 0.8935 0.8935 1.1972 1.1972 1.3610 1.3610 1.9155 1.9155 3.2713 3.2713 3.4766 3.4766 4.0133 4.0133 4.4911 4.4911 4.6843 4.6843 4.8741 4.8741 5.2796 5.2796 5.4299 5.4299 5.4339 5.4339 5.8841 5.8841 6.0763 6.0763 11.2074 11.2074 11.5694 11.5694 13.7441 13.7441 13.8900 13.8900 14.2313 14.2313 15.3616 15.3616 k = 0.4848 0.3149-0.0000 ( 3774 PWs) bands (ev): -31.1991 -31.1991 -14.1438 -14.1438 -13.1271 -13.1271 -12.6897 -12.6897 -12.4183 -12.4183 -12.1008 -12.1008 -11.3874 -11.3874 -11.0502 -11.0502 -10.3132 -10.3132 -10.2068 -10.2068 -3.4751 -3.4751 -1.6008 -1.6008 0.0737 0.0737 0.8832 0.8832 1.1993 1.1993 1.3756 1.3756 1.9155 1.9155 3.2665 3.2665 3.4513 3.4513 4.0356 4.0356 4.4952 4.4952 4.6845 4.6845 4.8748 4.8748 5.2776 5.2776 5.4261 5.4261 5.4380 5.4380 5.8840 5.8840 6.0752 6.0752 11.2088 11.2088 11.5654 11.5654 13.7455 13.7455 13.8902 13.8902 14.2286 14.2286 15.3167 15.3167 k = 0.4773 0.3280-0.0000 ( 3774 PWs) bands (ev): -31.1991 -31.1991 -14.1392 -14.1392 -13.1388 -13.1388 -12.6832 -12.6832 -12.4140 -12.4140 -12.1007 -12.1007 -11.3947 -11.3947 -11.0473 -11.0473 -10.3375 -10.3375 -10.1839 -10.1839 -3.4633 -3.4633 -1.6123 -1.6123 0.0773 0.0773 0.8675 0.8675 1.2029 1.2029 1.3983 1.3983 1.9156 1.9156 3.2585 3.2585 3.4130 3.4130 4.0687 4.0687 4.5017 4.5017 4.6848 4.6848 4.8761 4.8761 5.2743 5.2743 5.4197 5.4197 5.4446 5.4446 5.8837 5.8837 6.0733 6.0733 11.2111 11.2111 11.5590 11.5590 13.7478 13.7478 13.8904 13.8904 14.2240 14.2240 15.2695 15.2695 k = 0.4697 0.3412-0.0000 ( 3770 PWs) bands (ev): -31.1991 -31.1991 -14.1328 -14.1328 -13.1545 -13.1545 -12.6748 -12.6748 -12.4080 -12.4080 -12.1005 -12.1005 -11.4048 -11.4048 -11.0433 -11.0433 -10.3625 -10.3625 -10.1611 -10.1611 -3.4469 -3.4469 -1.6284 -1.6284 0.0823 0.0823 0.8475 0.8475 1.2081 1.2081 1.4275 1.4275 1.9160 1.9160 3.2475 3.2475 3.3655 3.3655 4.1090 4.1090 4.5105 4.5105 4.6855 4.6855 4.8777 4.8777 5.2699 5.2699 5.4109 5.4109 5.4535 5.4535 5.8833 5.8833 6.0705 6.0705 11.2143 11.2143 11.5502 11.5502 13.7510 13.7510 13.8906 13.8906 14.2177 14.2177 15.2226 15.2226 k = 0.4621 0.3543-0.0000 ( 3772 PWs) bands (ev): -31.1991 -31.1991 -14.1245 -14.1245 -13.1735 -13.1735 -12.6654 -12.6654 -12.4001 -12.4001 -12.1002 -12.1002 -11.4174 -11.4174 -11.0382 -11.0382 -10.3876 -10.3876 -10.1387 -10.1387 -3.4260 -3.4260 -1.6490 -1.6490 0.0887 0.0887 0.8247 0.8247 1.2147 1.2147 1.4619 1.4619 1.9166 1.9166 3.2338 3.2338 3.3116 3.3116 4.1538 4.1538 4.5210 4.5210 4.6868 4.6868 4.8799 4.8799 5.2645 5.2645 5.3998 5.3998 5.4646 5.4646 5.8829 5.8829 6.0667 6.0667 11.2184 11.2184 11.5394 11.5394 13.7551 13.7551 13.8906 13.8906 14.2097 14.2097 15.1776 15.1776 k = 0.4545 0.3674-0.0000 ( 3768 PWs) bands (ev): -31.1991 -31.1991 -14.1143 -14.1143 -13.1954 -13.1954 -12.6555 -12.6555 -12.3905 -12.3905 -12.0999 -12.0999 -11.4325 -11.4325 -11.0319 -11.0319 -10.4129 -10.4129 -10.1170 -10.1170 -3.4006 -3.4006 -1.6739 -1.6739 0.0966 0.0966 0.8001 0.8001 1.2226 1.2226 1.5001 1.5001 1.9179 1.9179 3.2171 3.2171 3.2536 3.2536 4.2009 4.2009 4.5328 4.5328 4.6891 4.6891 4.8825 4.8825 5.2583 5.2583 5.3866 5.3866 5.4777 5.4777 5.8823 5.8823 6.0619 6.0619 11.2232 11.2232 11.5266 11.5266 13.7600 13.7600 13.8905 13.8905 14.2000 14.2000 15.1355 15.1355 k = 0.4470 0.3805-0.0000 ( 3766 PWs) bands (ev): -31.1991 -31.1991 -14.1024 -14.1024 -13.2196 -13.2196 -12.6457 -12.6457 -12.3791 -12.3791 -12.0993 -12.0993 -11.4497 -11.4497 -11.0246 -11.0246 -10.4382 -10.4382 -10.0962 -10.0962 -3.3708 -3.3708 -1.7030 -1.7030 0.1059 0.1059 0.7745 0.7745 1.2316 1.2316 1.5412 1.5412 1.9198 1.9198 3.1875 3.1875 3.2033 3.2033 4.2491 4.2491 4.5450 4.5450 4.6927 4.6927 4.8856 4.8856 5.2513 5.2513 5.3715 5.3715 5.4925 5.4925 5.8817 5.8817 6.0558 6.0558 11.2287 11.2287 11.5123 11.5123 13.7657 13.7657 13.8901 13.8901 14.1886 14.1886 15.0970 15.0970 k = 0.4394 0.3936-0.0000 ( 3782 PWs) bands (ev): -31.1991 -31.1991 -14.0886 -14.0886 -13.2458 -13.2458 -12.6363 -12.6363 -12.3661 -12.3661 -12.0986 -12.0986 -11.4689 -11.4689 -11.0162 -11.0162 -10.4635 -10.4635 -10.0763 -10.0763 -3.3368 -3.3368 -1.7361 -1.7361 0.1166 0.1166 0.7484 0.7484 1.2414 1.2414 1.5844 1.5844 1.9228 1.9228 3.1259 3.1259 3.1808 3.1808 4.2972 4.2972 4.5568 4.5568 4.6984 4.6984 4.8891 4.8891 5.2437 5.2437 5.3546 5.3546 5.5090 5.5090 5.8809 5.8809 6.0485 6.0485 11.2348 11.2348 11.4967 11.4967 13.7721 13.7721 13.8892 13.8892 14.1757 14.1757 15.0625 15.0625 k = 0.4318 0.4068-0.0000 ( 3774 PWs) bands (ev): -31.1990 -31.1990 -14.0731 -14.0731 -13.2736 -13.2736 -12.6276 -12.6276 -12.3516 -12.3516 -12.0976 -12.0976 -11.4896 -11.4896 -11.0067 -11.0067 -10.4888 -10.4888 -10.0575 -10.0575 -3.2987 -3.2987 -1.7731 -1.7731 0.1286 0.1286 0.7223 0.7223 1.2517 1.2517 1.6291 1.6291 1.9271 1.9271 3.0607 3.0607 3.1589 3.1589 4.3446 4.3446 4.5673 4.5673 4.7066 4.7066 4.8930 4.8930 5.2356 5.2356 5.3363 5.3363 5.5268 5.5268 5.8800 5.8800 6.0398 6.0398 11.2415 11.2415 11.4803 11.4803 13.7792 13.7792 13.8881 13.8881 14.1614 14.1614 15.0325 15.0325 k = 0.4242 0.4199-0.0000 ( 3768 PWs) bands (ev): -31.1990 -31.1990 -14.0557 -14.0557 -13.3028 -13.3028 -12.6198 -12.6198 -12.3361 -12.3361 -12.0962 -12.0962 -11.5115 -11.5115 -10.9961 -10.9961 -10.5140 -10.5140 -10.0399 -10.0399 -3.2566 -3.2566 -1.8138 -1.8138 0.1421 0.1421 0.6962 0.6962 1.2623 1.2623 1.6750 1.6750 1.9330 1.9330 2.9941 2.9941 3.1361 3.1361 4.3908 4.3908 4.5759 4.5759 4.7179 4.7179 4.8974 4.8974 5.2270 5.2270 5.3168 5.3168 5.5460 5.5460 5.8791 5.8791 6.0296 6.0296 11.2485 11.2485 11.4633 11.4633 13.7869 13.7869 13.8867 13.8867 14.1458 14.1458 15.0071 15.0071 k = 0.4167 0.4330-0.0000 ( 3764 PWs) bands (ev): -31.1990 -31.1990 -14.0366 -14.0366 -13.3332 -13.3332 -12.6130 -12.6130 -12.3198 -12.3198 -12.0944 -12.0944 -11.5344 -11.5344 -10.9846 -10.9846 -10.5391 -10.5391 -10.0235 -10.0235 -3.2108 -3.2108 -1.8580 -1.8580 0.1568 0.1568 0.6704 0.6704 1.2728 1.2728 1.7214 1.7214 1.9407 1.9407 2.9267 2.9267 3.1125 3.1125 4.4353 4.4353 4.5822 4.5822 4.7321 4.7321 4.9020 4.9020 5.2181 5.2181 5.2964 5.2964 5.5663 5.5663 5.8779 5.8779 6.0178 6.0178 11.2558 11.2558 11.4461 11.4461 13.7951 13.7951 13.8851 13.8851 14.1290 14.1290 14.9863 14.9863 k = 0.4091 0.4461-0.0000 ( 3764 PWs) bands (ev): -31.1990 -31.1990 -14.0158 -14.0158 -13.3646 -13.3646 -12.6070 -12.6070 -12.3032 -12.3032 -12.0919 -12.0919 -11.5579 -11.5579 -10.9721 -10.9721 -10.5641 -10.5641 -10.0085 -10.0085 -3.1614 -3.1614 -1.9055 -1.9055 0.1729 0.1729 0.6448 0.6448 1.2829 1.2829 1.7682 1.7682 1.9504 1.9504 2.8589 2.8589 3.0886 3.0886 4.4776 4.4776 4.5864 4.5864 4.7489 4.7489 4.9069 4.9069 5.2089 5.2089 5.2754 5.2754 5.5875 5.5875 5.8767 5.8767 6.0045 6.0045 11.2633 11.2633 11.4291 11.4291 13.8036 13.8036 13.8835 13.8835 14.1113 14.1113 14.9701 14.9701 k = 0.4015 0.4593-0.0000 ( 3764 PWs) bands (ev): -31.1990 -31.1990 -13.9932 -13.9932 -13.3970 -13.3970 -12.6019 -12.6019 -12.2868 -12.2868 -12.0888 -12.0888 -11.5815 -11.5815 -10.9586 -10.9586 -10.5890 -10.5890 -9.9948 -9.9948 -3.1087 -3.1087 -1.9561 -1.9561 0.1902 0.1902 0.6196 0.6196 1.2924 1.2924 1.8149 1.8149 1.9625 1.9625 2.7909 2.7909 3.0646 3.0646 4.5174 4.5174 4.5887 4.5887 4.7677 4.7677 4.9119 4.9119 5.1997 5.1997 5.2543 5.2543 5.6096 5.6096 5.8752 5.8752 5.9896 5.9896 11.2708 11.2708 11.4125 11.4125 13.8124 13.8124 13.8821 13.8821 14.0927 14.0927 14.9584 14.9584 k = 0.3939 0.4724-0.0000 ( 3758 PWs) bands (ev): -31.1990 -31.1990 -13.9689 -13.9689 -13.4301 -13.4301 -12.5976 -12.5976 -12.2712 -12.2712 -12.0848 -12.0848 -11.6048 -11.6048 -10.9442 -10.9442 -10.6137 -10.6137 -9.9826 -9.9826 -3.0528 -3.0528 -2.0097 -2.0097 0.2088 0.2088 0.5946 0.5946 1.3011 1.3011 1.8612 1.8612 1.9771 1.9771 2.7229 2.7229 3.0410 3.0410 4.5542 4.5542 4.5897 4.5897 4.7875 4.7875 4.9169 4.9169 5.1906 5.1906 5.2335 5.2335 5.6323 5.6323 5.8735 5.8735 5.9732 5.9732 11.2782 11.2782 11.3966 11.3966 13.8212 13.8212 13.8813 13.8813 14.0734 14.0734 14.9510 14.9510 k = 0.3864 0.4855-0.0000 ( 3762 PWs) bands (ev): -31.1990 -31.1990 -13.9429 -13.9429 -13.4639 -13.4639 -12.5940 -12.5940 -12.2569 -12.2569 -12.0799 -12.0799 -11.6275 -11.6275 -10.9288 -10.9288 -10.6382 -10.6382 -9.9719 -9.9719 -2.9940 -2.9940 -2.0661 -2.0661 0.2285 0.2285 0.5699 0.5699 1.3088 1.3088 1.9067 1.9067 1.9943 1.9943 2.6551 2.6551 3.0182 3.0182 4.5868 4.5868 4.5907 4.5907 4.8077 4.8077 4.9216 4.9216 5.1819 5.1819 5.2136 5.2136 5.6555 5.6555 5.8716 5.8716 5.9555 5.9555 11.2855 11.2855 11.3817 11.3817 13.8299 13.8299 13.8815 13.8815 14.0537 14.0537 14.9474 14.9474 k = 0.3788 0.4986-0.0000 ( 3766 PWs) bands (ev): -31.1990 -31.1990 -13.9153 -13.9153 -13.4984 -13.4984 -12.5910 -12.5910 -12.2442 -12.2442 -12.0742 -12.0742 -11.6488 -11.6488 -10.9126 -10.9126 -10.6625 -10.6625 -9.9626 -9.9626 -2.9326 -2.9326 -2.1250 -2.1250 0.2493 0.2493 0.5453 0.5453 1.3153 1.3153 1.9510 1.9510 2.0142 2.0142 2.5878 2.5878 2.9967 2.9967 4.5890 4.5890 4.6178 4.6178 4.8276 4.8276 4.9256 4.9256 5.1736 5.1736 5.1953 5.1953 5.6790 5.6790 5.8693 5.8693 5.9367 5.9367 11.2924 11.2924 11.3681 11.3681 13.8382 13.8382 13.8830 13.8830 14.0337 14.0337 14.9475 14.9475 k = 0.3712 0.5117-0.0000 ( 3768 PWs) bands (ev): -31.1990 -31.1990 -13.8860 -13.8860 -13.5335 -13.5335 -12.5887 -12.5887 -12.2336 -12.2336 -12.0677 -12.0677 -11.6684 -11.6684 -10.8956 -10.8956 -10.6865 -10.6865 -9.9548 -9.9548 -2.8688 -2.8688 -2.1863 -2.1863 0.2711 0.2711 0.5208 0.5208 1.3207 1.3207 1.9932 1.9932 2.0374 2.0374 2.5212 2.5212 2.9768 2.9768 4.5881 4.5881 4.6437 4.6437 4.8466 4.8466 4.9284 4.9284 5.1662 5.1662 5.1791 5.1791 5.7028 5.7028 5.8668 5.8668 5.9169 5.9169 11.2988 11.2988 11.3559 11.3559 13.8457 13.8457 13.8862 13.8862 14.0137 14.0137 14.9507 14.9507 k = 0.3636 0.5249-0.0000 ( 3768 PWs) bands (ev): -31.1990 -31.1990 -13.8552 -13.8552 -13.5691 -13.5691 -12.5868 -12.5868 -12.2251 -12.2251 -12.0611 -12.0611 -11.6856 -11.6856 -10.8778 -10.8778 -10.7101 -10.7101 -9.9484 -9.9484 -2.8029 -2.8029 -2.2499 -2.2499 0.2937 0.2937 0.4963 0.4963 1.3249 1.3249 2.0318 2.0318 2.0645 2.0645 2.4557 2.4557 2.9593 2.9593 4.5871 4.5871 4.6653 4.6653 4.8641 4.8641 4.9295 4.9295 5.1597 5.1597 5.1658 5.1658 5.7265 5.7265 5.8637 5.8637 5.8967 5.8967 11.3047 11.3047 11.3454 11.3454 13.8524 13.8524 13.8913 13.8913 13.9938 13.9938 14.9566 14.9566 k = 0.3561 0.5380-0.0000 ( 3768 PWs) bands (ev): -31.1990 -31.1990 -13.8228 -13.8228 -13.6052 -13.6052 -12.5855 -12.5855 -12.2188 -12.2188 -12.0549 -12.0549 -11.6997 -11.6997 -10.8593 -10.8593 -10.7333 -10.7333 -9.9436 -9.9436 -2.7352 -2.7352 -2.3155 -2.3155 0.3171 0.3171 0.4718 0.4718 1.3280 1.3280 2.0653 2.0653 2.0959 2.0959 2.3918 2.3918 2.9445 2.9445 4.5861 4.5861 4.6824 4.6824 4.8797 4.8797 4.9286 4.9286 5.1543 5.1543 5.1562 5.1562 5.7500 5.7500 5.8599 5.8599 5.8768 5.8768 11.3100 11.3100 11.3366 11.3366 13.8585 13.8585 13.8980 13.8980 13.9746 13.9746 14.9645 14.9645 k = 0.3485 0.5511-0.0000 ( 3764 PWs) bands (ev): -31.1990 -31.1990 -13.7890 -13.7890 -13.6417 -13.6417 -12.5845 -12.5845 -12.2145 -12.2145 -12.0498 -12.0498 -11.7102 -11.7102 -10.8400 -10.8400 -10.7559 -10.7559 -9.9402 -9.9402 -2.6659 -2.6659 -2.3831 -2.3831 0.3409 0.3409 0.4474 0.4474 1.3301 1.3301 2.0950 2.0950 2.1285 2.1285 2.3310 2.3310 2.9332 2.9332 4.5852 4.5852 4.6948 4.6948 4.8931 4.8931 4.9253 4.9253 5.1493 5.1493 5.1510 5.1510 5.7731 5.7731 5.8511 5.8511 5.8619 5.8619 11.3144 11.3144 11.3296 11.3296 13.8639 13.8639 13.9059 13.9059 13.9566 13.9566 14.9735 14.9735 k = 0.3409 0.5642-0.0000 ( 3760 PWs) bands (ev): -31.1990 -31.1990 -13.7539 -13.7539 -13.6783 -13.6783 -12.5839 -12.5839 -12.2121 -12.2121 -12.0465 -12.0465 -11.7166 -11.7166 -10.8201 -10.8201 -10.7779 -10.7779 -9.9381 -9.9381 -2.5955 -2.5955 -2.4524 -2.4524 0.3640 0.3640 0.4240 0.4240 1.3313 1.3313 2.1227 2.1227 2.1543 2.1543 2.2788 2.2788 2.9260 2.9260 4.5846 4.5846 4.7023 4.7023 4.9041 4.9041 4.9198 4.9198 5.1467 5.1467 5.1483 5.1483 5.7952 5.7952 5.8337 5.8337 5.8566 5.8566 11.3179 11.3179 11.3247 11.3247 13.8685 13.8685 13.9138 13.9138 13.9412 13.9412 14.9816 14.9816 k = 0.3333 0.5774-0.0000 ( 3762 PWs) bands (ev): -31.1990 -31.1990 -13.7236 -13.7236 -13.7092 -13.7092 -12.5838 -12.5838 -12.2114 -12.2114 -12.0453 -12.0453 -11.7187 -11.7187 -10.8019 -10.8019 -10.7968 -10.7968 -9.9375 -9.9375 -2.5298 -2.5298 -2.5176 -2.5176 0.3785 0.3785 0.4095 0.4095 1.3317 1.3317 2.1456 2.1456 2.1551 2.1551 2.2557 2.2557 2.9234 2.9234 4.5844 4.5844 4.7048 4.7048 4.9123 4.9123 4.9133 4.9133 5.1467 5.1467 5.1468 5.1468 5.8120 5.8120 5.8186 5.8186 5.8546 5.8546 11.3195 11.3195 11.3226 11.3226 13.8707 13.8707 13.9181 13.9181 13.9338 13.9338 14.9853 14.9853 k = 0.3333 0.5774-0.0000 ( 3762 PWs) bands (ev): -31.1990 -31.1990 -13.7236 -13.7236 -13.7092 -13.7092 -12.5838 -12.5838 -12.2114 -12.2114 -12.0453 -12.0453 -11.7187 -11.7187 -10.8019 -10.8019 -10.7968 -10.7968 -9.9375 -9.9375 -2.5298 -2.5298 -2.5176 -2.5176 0.3785 0.3785 0.4095 0.4095 1.3317 1.3317 2.1456 2.1456 2.1551 2.1551 2.2557 2.2557 2.9234 2.9234 4.5844 4.5844 4.7048 4.7048 4.9123 4.9123 4.9133 4.9133 5.1467 5.1467 5.1468 5.1468 5.8120 5.8120 5.8186 5.8186 5.8546 5.8546 11.3195 11.3195 11.3226 11.3226 13.8707 13.8707 13.9181 13.9181 13.9338 13.9338 14.9853 14.9853 k = 0.3258 0.5642-0.0000 ( 3756 PWs) bands (ev): -31.1990 -31.1990 -13.7548 -13.7548 -13.6775 -13.6775 -12.5839 -12.5839 -12.2121 -12.2121 -12.0464 -12.0464 -11.7167 -11.7167 -10.8200 -10.8200 -10.7780 -10.7780 -9.9381 -9.9381 -2.5966 -2.5966 -2.4513 -2.4513 0.3637 0.3637 0.4243 0.4243 1.3313 1.3313 2.1082 2.1082 2.1768 2.1768 2.2707 2.2707 2.9262 2.9262 4.5847 4.5847 4.7023 4.7023 4.9049 4.9049 4.9194 4.9194 5.1459 5.1459 5.1487 5.1487 5.7983 5.7983 5.8284 5.8284 5.8590 5.8590 11.3191 11.3191 11.3235 11.3235 13.8674 13.8674 13.9170 13.9170 13.9391 13.9391 14.9813 14.9813 k = 0.3182 0.5511-0.0000 ( 3760 PWs) bands (ev): -31.1990 -31.1990 -13.7924 -13.7924 -13.6383 -13.6383 -12.5844 -12.5844 -12.2141 -12.2141 -12.0495 -12.0495 -11.7110 -11.7110 -10.8394 -10.8394 -10.7563 -10.7563 -9.9400 -9.9400 -2.6706 -2.6706 -2.3789 -2.3789 0.3392 0.3392 0.4486 0.4486 1.3304 1.3304 2.0535 2.0535 2.2017 2.2017 2.2978 2.2978 2.9347 2.9347 4.5854 4.5854 4.6950 4.6950 4.8967 4.8967 4.9242 4.9242 5.1452 5.1452 5.1518 5.1518 5.7838 5.7838 5.8298 5.8298 5.8736 5.8736 11.3197 11.3197 11.3241 11.3241 13.8577 13.8577 13.9204 13.9204 13.9483 13.9483 14.9714 14.9714 k = 0.3106 0.5380-0.0000 ( 3766 PWs) bands (ev): -31.1990 -31.1990 -13.8305 -13.8305 -13.5976 -13.5976 -12.5852 -12.5852 -12.2174 -12.2174 -12.0541 -12.0541 -11.7022 -11.7022 -10.8578 -10.8578 -10.7341 -10.7341 -9.9430 -9.9430 -2.7459 -2.7459 -2.3064 -2.3064 0.3130 0.3130 0.4743 0.4743 1.3289 1.3289 1.9962 1.9962 2.2256 2.2256 2.3265 2.3265 2.9495 2.9495 4.5868 4.5868 4.6830 4.6830 4.8888 4.8888 4.9277 4.9277 5.1442 5.1442 5.1554 5.1554 5.7718 5.7718 5.8260 5.8260 5.8923 5.8923 11.3213 11.3213 11.3243 11.3243 13.8444 13.8444 13.9284 13.9284 13.9583 13.9583 14.9586 14.9586 k = 0.3030 0.5249-0.0000 ( 3774 PWs) bands (ev): -31.1990 -31.1990 -13.8688 -13.8688 -13.5557 -13.5557 -12.5863 -12.5863 -12.2219 -12.2219 -12.0597 -12.0597 -11.6913 -11.6913 -10.8750 -10.8750 -10.7114 -10.7114 -9.9472 -9.9472 -2.8226 -2.8226 -2.2342 -2.2342 0.2860 0.2860 0.5002 0.5002 1.3268 1.3268 1.9386 1.9386 2.2484 2.2484 2.3541 2.3541 2.9707 2.9707 4.5888 4.5888 4.6666 4.6666 4.8813 4.8813 4.9304 4.9304 5.1423 5.1423 5.1591 5.1591 5.7627 5.7627 5.8203 5.8203 5.9116 5.9116 11.3209 11.3209 11.3270 11.3270 13.8300 13.8300 13.9391 13.9391 13.9686 13.9686 14.9446 14.9446 k = 0.2955 0.5117-0.0000 ( 3772 PWs) bands (ev): -31.1990 -31.1990 -13.9072 -13.9072 -13.5126 -13.5126 -12.5876 -12.5876 -12.2274 -12.2274 -12.0655 -12.0655 -11.6788 -11.6788 -10.8908 -10.8908 -10.6883 -10.6883 -9.9523 -9.9523 -2.9004 -2.9004 -2.1625 -2.1625 0.2586 0.2586 0.5259 0.5259 1.3243 1.3243 1.8816 1.8816 2.2704 2.2704 2.3798 2.3798 2.9983 2.9983 4.5916 4.5916 4.6463 4.6463 4.8744 4.8744 4.9328 4.9328 5.1388 5.1388 5.1627 5.1627 5.7564 5.7564 5.8136 5.8136 5.9306 5.9306 11.3181 11.3181 11.3324 11.3324 13.8157 13.8157 13.9514 13.9514 13.9790 13.9790 14.9299 14.9299 k = 0.2879 0.4986-0.0000 ( 3768 PWs) bands (ev): -31.1990 -31.1990 -13.9458 -13.9458 -13.4685 -13.4685 -12.5891 -12.5891 -12.2338 -12.2338 -12.0713 -12.0713 -11.6655 -11.6655 -10.9052 -10.9052 -10.6649 -10.6649 -9.9583 -9.9583 -2.9792 -2.9792 -2.0917 -2.0917 0.2307 0.2307 0.5513 0.5513 1.3213 1.3213 1.8255 1.8255 2.2919 2.2919 2.4029 2.4029 3.0320 3.0320 4.5951 4.5951 4.6225 4.6225 4.8684 4.8684 4.9352 4.9352 5.1334 5.1334 5.1662 5.1662 5.7530 5.7530 5.8063 5.8063 5.9487 5.9487 11.3137 11.3137 11.3394 11.3394 13.8018 13.8018 13.9648 13.9648 13.9895 13.9895 14.9147 14.9147 k = 0.2803 0.4855-0.0000 ( 3764 PWs) bands (ev): -31.1990 -31.1990 -13.9843 -13.9843 -13.4235 -13.4235 -12.5907 -12.5907 -12.2410 -12.2410 -12.0765 -12.0765 -11.6520 -11.6520 -10.9179 -10.9179 -10.6412 -10.6412 -9.9651 -9.9651 -3.0591 -3.0591 -2.0220 -2.0220 0.2026 0.2026 0.5760 0.5760 1.3179 1.3179 1.7704 1.7704 2.3134 2.3134 2.4232 2.4232 3.0716 3.0716 4.5945 4.5945 4.6005 4.6005 4.8635 4.8635 4.9378 4.9378 5.1257 5.1257 5.1696 5.1696 5.7523 5.7523 5.7983 5.7983 5.9660 5.9660 11.3077 11.3077 11.3478 11.3478 13.7888 13.7888 13.9787 13.9787 14.0001 14.0001 14.8991 14.8991 k = 0.2727 0.4724-0.0000 ( 3768 PWs) bands (ev): -31.1990 -31.1990 -14.0227 -14.0227 -13.3776 -13.3776 -12.5926 -12.5926 -12.2489 -12.2489 -12.0812 -12.0812 -11.6387 -11.6387 -10.9290 -10.9290 -10.6172 -10.6172 -9.9727 -9.9727 -3.1398 -3.1398 -1.9536 -1.9536 0.1743 0.1743 0.5999 0.5999 1.3140 1.3140 1.7165 1.7165 2.3357 2.3357 2.4404 2.4404 3.1166 3.1166 4.5652 4.5652 4.6053 4.6053 4.8600 4.8600 4.9410 4.9410 5.1154 5.1154 5.1731 5.1731 5.7540 5.7540 5.7897 5.7897 5.9822 5.9822 11.2999 11.2999 11.3573 11.3573 13.7768 13.7768 13.9929 13.9929 14.0108 14.0108 14.8832 14.8832 k = 0.2652 0.4593-0.0000 ( 3768 PWs) bands (ev): -31.1990 -31.1990 -14.0610 -14.0610 -13.3310 -13.3310 -12.5945 -12.5945 -12.2572 -12.2572 -12.0850 -12.0850 -11.6261 -11.6261 -10.9383 -10.9383 -10.5930 -10.5930 -9.9808 -9.9808 -3.2213 -3.2213 -1.8869 -1.8869 0.1460 0.1460 0.6227 0.6227 1.3095 1.3095 1.6638 1.6638 2.3592 2.3592 2.4543 2.4543 3.1665 3.1665 4.5329 4.5329 4.6116 4.6116 4.8581 4.8581 4.9449 4.9449 5.1024 5.1024 5.1768 5.1768 5.7576 5.7576 5.7807 5.7807 5.9972 5.9972 11.2904 11.2904 11.3678 11.3678 13.7662 13.7662 14.0068 14.0068 14.0218 14.0218 14.8669 14.8669 k = 0.2576 0.4461-0.0000 ( 3774 PWs) bands (ev): -31.1991 -31.1991 -14.0991 -14.0991 -13.2839 -13.2839 -12.5965 -12.5965 -12.2659 -12.2659 -12.0880 -12.0880 -11.6145 -11.6145 -10.9458 -10.9458 -10.5687 -10.5687 -9.9893 -9.9893 -3.3034 -3.3034 -1.8220 -1.8220 0.1178 0.1178 0.6443 0.6443 1.3046 1.3046 1.6123 1.6123 2.3845 2.3845 2.4649 2.4649 3.2208 3.2208 4.4988 4.4988 4.6191 4.6191 4.8581 4.8581 4.9494 4.9494 5.0867 5.0867 5.1807 5.1807 5.7624 5.7624 5.7716 5.7716 6.0110 6.0110 11.2788 11.2788 11.3791 11.3791 13.7570 13.7570 14.0202 14.0202 14.0332 14.0332 14.8501 14.8501 k = 0.2500 0.4330-0.0000 ( 3764 PWs) bands (ev): -31.1991 -31.1991 -14.1370 -14.1370 -13.2363 -13.2363 -12.5984 -12.5984 -12.2747 -12.2747 -12.0900 -12.0900 -11.6041 -11.6041 -10.9515 -10.9515 -10.5442 -10.5442 -9.9982 -9.9982 -3.3862 -3.3862 -1.7592 -1.7592 0.0898 0.0898 0.6645 0.6645 1.2992 1.2992 1.5620 1.5620 2.4115 2.4115 2.4723 2.4723 3.2790 3.2790 4.4636 4.4636 4.6277 4.6277 4.8602 4.8602 4.9545 4.9545 5.0682 5.0682 5.1849 5.1849 5.7597 5.7597 5.7706 5.7706 6.0236 6.0236 11.2651 11.2651 11.3910 11.3910 13.7496 13.7496 14.0326 14.0326 14.0453 14.0453 14.8330 14.8330 k = 0.2424 0.4199-0.0000 ( 3764 PWs) bands (ev): -31.1991 -31.1991 -14.1745 -14.1745 -13.1886 -13.1886 -12.6003 -12.6003 -12.2835 -12.2835 -12.0911 -12.0911 -11.5950 -11.5950 -10.9554 -10.9554 -10.5198 -10.5198 -10.0073 -10.0073 -3.4695 -3.4695 -1.6985 -1.6985 0.0622 0.0622 0.6831 0.6831 1.2933 1.2933 1.5130 1.5130 2.4384 2.4384 2.4788 2.4788 3.3408 3.3408 4.4278 4.4278 4.6373 4.6373 4.8644 4.8644 4.9598 4.9598 5.0476 5.0476 5.1895 5.1895 5.7493 5.7493 5.7776 5.7776 6.0348 6.0348 11.2490 11.2490 11.4033 11.4033 13.7441 13.7441 14.0439 14.0439 14.0577 14.0577 14.8155 14.8155 k = 0.2348 0.4068-0.0000 ( 3764 PWs) bands (ev): -31.1991 -31.1991 -14.2116 -14.2116 -13.1408 -13.1408 -12.6019 -12.6019 -12.2923 -12.2923 -12.0913 -12.0913 -11.5873 -11.5873 -10.9576 -10.9576 -10.4954 -10.4954 -10.0165 -10.0165 -3.5532 -3.5532 -1.6402 -1.6402 0.0351 0.0351 0.7000 0.7000 1.2870 1.2870 1.4653 1.4653 2.4546 2.4546 2.4950 2.4950 3.4058 3.4058 4.3921 4.3921 4.6482 4.6482 4.8709 4.8709 4.9639 4.9639 5.0263 5.0263 5.1943 5.1943 5.7380 5.7380 5.7856 5.7856 6.0447 6.0447 11.2303 11.2303 11.4158 11.4158 13.7407 13.7407 14.0543 14.0543 14.0700 14.0700 14.7976 14.7976 k = 0.2273 0.3936-0.0000 ( 3764 PWs) bands (ev): -31.1991 -31.1991 -14.2482 -14.2482 -13.0933 -13.0933 -12.6033 -12.6033 -12.3008 -12.3008 -12.0906 -12.0906 -11.5811 -11.5811 -10.9584 -10.9584 -10.4711 -10.4711 -10.0256 -10.0256 -3.6373 -3.6373 -1.5844 -1.5844 0.0088 0.0088 0.7152 0.7152 1.2803 1.2803 1.4190 1.4190 2.4533 2.4533 2.5277 2.5277 3.4736 3.4736 4.3573 4.3573 4.6601 4.6601 4.8797 4.8797 4.9618 4.9618 5.0093 5.0093 5.1994 5.1994 5.7260 5.7260 5.7939 5.7939 6.0531 6.0531 11.2090 11.2090 11.4284 11.4284 13.7396 13.7396 14.0642 14.0642 14.0819 14.0819 14.7793 14.7793 k = 0.2197 0.3805-0.0000 ( 3764 PWs) bands (ev): -31.1992 -31.1992 -14.2843 -14.2843 -13.0464 -13.0464 -12.6042 -12.6042 -12.3090 -12.3090 -12.0888 -12.0888 -11.5762 -11.5762 -10.9578 -10.9578 -10.4470 -10.4470 -10.0346 -10.0346 -3.7214 -3.7214 -1.5312 -1.5312 -0.0167 -0.0167 0.7285 0.7285 1.2732 1.2732 1.3741 1.3741 2.4430 2.4430 2.5683 2.5683 3.5439 3.5439 4.3239 4.3239 4.6731 4.6731 4.8905 4.8905 4.9450 4.9450 5.0052 5.0052 5.2047 5.2047 5.7135 5.7135 5.8023 5.8023 6.0602 6.0602 11.1847 11.1847 11.4408 11.4408 13.7411 13.7411 14.0737 14.0737 14.0930 14.0930 14.7607 14.7607 k = 0.2121 0.3674-0.0000 ( 3762 PWs) bands (ev): -31.1992 -31.1992 -14.3197 -14.3197 -13.0005 -13.0005 -12.6045 -12.6045 -12.3168 -12.3168 -12.0859 -12.0859 -11.5726 -11.5726 -10.9561 -10.9561 -10.4230 -10.4230 -10.0432 -10.0432 -3.8057 -3.8057 -1.4806 -1.4806 -0.0412 -0.0412 0.7399 0.7399 1.2655 1.2655 1.3309 1.3309 2.4266 2.4266 2.6138 2.6138 3.6165 3.6165 4.2925 4.2925 4.6870 4.6870 4.9030 4.9030 4.9175 4.9175 5.0107 5.0107 5.2102 5.2102 5.7005 5.7005 5.8106 5.8106 6.0659 6.0659 11.1573 11.1573 11.4529 11.4529 13.7451 13.7451 14.0827 14.0827 14.1031 14.1031 14.7418 14.7418 k = 0.2045 0.3543-0.0000 ( 3762 PWs) bands (ev): -31.1992 -31.1992 -14.3545 -14.3545 -12.9560 -12.9560 -12.6039 -12.6039 -12.3243 -12.3243 -12.0819 -12.0819 -11.5702 -11.5702 -10.9535 -10.9535 -10.3993 -10.3993 -10.0513 -10.0513 -3.8898 -3.8898 -1.4326 -1.4326 -0.0645 -0.0645 0.7494 0.7494 1.2561 1.2561 1.2909 1.2909 2.4050 2.4050 2.6634 2.6634 3.6912 3.6912 4.2636 4.2636 4.7016 4.7016 4.8834 4.8834 4.9191 4.9191 5.0197 5.0197 5.2158 5.2158 5.6869 5.6869 5.8185 5.8185 6.0701 6.0701 11.1269 11.1269 11.4645 11.4645 13.7518 13.7518 14.0913 14.0913 14.1122 14.1122 14.7227 14.7227 k = 0.1970 0.3412-0.0000 ( 3762 PWs) bands (ev): -31.1992 -31.1992 -14.3886 -14.3886 -12.9136 -12.9136 -12.6021 -12.6021 -12.3312 -12.3312 -12.0766 -12.0766 -11.5688 -11.5688 -10.9505 -10.9505 -10.3760 -10.3760 -10.0588 -10.0588 -3.9737 -3.9737 -1.3874 -1.3874 -0.0865 -0.0865 0.7571 0.7571 1.2361 1.2361 1.2628 1.2628 2.3783 2.3783 2.7165 2.7165 3.7677 3.7677 4.2375 4.2375 4.7163 4.7163 4.8484 4.8484 4.9359 4.9359 5.0303 5.0303 5.2215 5.2215 5.6730 5.6730 5.8260 5.8260 6.0729 6.0729 11.0931 11.0931 11.4755 11.4755 13.7612 13.7612 14.0995 14.0995 14.1202 14.1202 14.7035 14.7035 k = 0.1894 0.3280-0.0000 ( 3770 PWs) bands (ev): -31.1993 -31.1993 -14.4219 -14.4219 -12.8740 -12.8740 -12.5985 -12.5985 -12.3377 -12.3377 -12.0699 -12.0699 -11.5682 -11.5682 -10.9471 -10.9471 -10.3530 -10.3530 -10.0657 -10.0657 -4.0573 -4.0573 -1.3448 -1.3448 -0.1071 -0.1071 0.7630 0.7630 1.2009 1.2009 1.2515 1.2515 2.3467 2.3467 2.7729 2.7729 3.8458 3.8458 4.2146 4.2146 4.7290 4.7290 4.8138 4.8138 4.9545 4.9545 5.0416 5.0416 5.2273 5.2273 5.6589 5.6589 5.8329 5.8329 6.0742 6.0742 11.0561 11.0561 11.4857 11.4857 13.7732 13.7732 14.1072 14.1072 14.1270 14.1270 14.6843 14.6843 k = 0.1818 0.3149-0.0000 ( 3766 PWs) bands (ev): -31.1993 -31.1993 -14.4543 -14.4543 -12.8382 -12.8382 -12.5927 -12.5927 -12.3435 -12.3435 -12.0616 -12.0616 -11.5684 -11.5684 -10.9438 -10.9438 -10.3305 -10.3305 -10.0717 -10.0717 -4.1402 -4.1402 -1.3050 -1.3050 -0.1261 -0.1261 0.7671 0.7671 1.1634 1.1634 1.2444 1.2444 2.3106 2.3106 2.8323 2.8323 3.9252 3.9252 4.1949 4.1949 4.7308 4.7308 4.7891 4.7891 4.9747 4.9747 5.0533 5.0533 5.2332 5.2332 5.6446 5.6446 5.8390 5.8390 6.0742 6.0742 11.0159 11.0159 11.4951 11.4951 13.7877 13.7877 14.1144 14.1144 14.1329 14.1329 14.6651 14.6651 k = 0.1742 0.3018-0.0000 ( 3770 PWs) bands (ev): -31.1993 -31.1993 -14.4859 -14.4859 -12.8071 -12.8071 -12.5840 -12.5840 -12.3487 -12.3487 -12.0516 -12.0516 -11.5690 -11.5690 -10.9406 -10.9406 -10.3085 -10.3085 -10.0769 -10.0769 -4.2225 -4.2225 -1.2677 -1.2677 -0.1434 -0.1434 0.7696 0.7696 1.1265 1.1265 1.2386 1.2386 2.2702 2.2702 2.8943 2.8943 4.0055 4.0055 4.1786 4.1786 4.7065 4.7065 4.7899 4.7899 4.9961 4.9961 5.0650 5.0650 5.2391 5.2391 5.6304 5.6304 5.8444 5.8444 6.0728 6.0728 10.9725 10.9725 11.5035 11.5035 13.8045 13.8045 14.1211 14.1211 14.1376 14.1376 14.6461 14.6461 k = 0.1667 0.2887-0.0000 ( 3770 PWs) bands (ev): -31.1994 -31.1994 -14.5164 -14.5164 -12.7815 -12.7815 -12.5721 -12.5721 -12.3531 -12.3531 -12.0395 -12.0395 -11.5701 -11.5701 -10.9379 -10.9379 -10.2871 -10.2871 -10.0810 -10.0810 -4.3038 -4.3038 -1.2330 -1.2330 -0.1589 -0.1589 0.7705 0.7705 1.0908 1.0908 1.2338 1.2338 2.2259 2.2259 2.9585 2.9585 4.0862 4.0862 4.1656 4.1656 4.6687 4.6687 4.8040 4.8040 5.0187 5.0187 5.0766 5.0766 5.2451 5.2451 5.6166 5.6166 5.8489 5.8489 6.0701 6.0701 10.9261 10.9261 11.5109 11.5109 13.8234 13.8234 14.1272 14.1272 14.1414 14.1414 14.6272 14.6272 k = 0.1591 0.2756-0.0000 ( 3780 PWs) bands (ev): -31.1994 -31.1994 -14.5460 -14.5460 -12.7619 -12.7619 -12.5570 -12.5570 -12.3567 -12.3567 -12.0253 -12.0253 -11.5715 -11.5715 -10.9357 -10.9357 -10.2663 -10.2663 -10.0842 -10.0842 -4.3841 -4.3841 -1.2008 -1.2008 -0.1726 -0.1726 0.7701 0.7701 1.0563 1.0563 1.2298 1.2298 2.1781 2.1781 3.0245 3.0245 4.1550 4.1550 4.1672 4.1672 4.6279 4.6279 4.8214 4.8214 5.0421 5.0421 5.0876 5.0876 5.2513 5.2513 5.6033 5.6033 5.8525 5.8525 6.0659 6.0659 10.8767 10.8767 11.5172 11.5172 13.8440 13.8440 14.1327 14.1327 14.1444 14.1444 14.6086 14.6086 k = 0.1515 0.2624-0.0000 ( 3788 PWs) bands (ev): -31.1994 -31.1994 -14.5745 -14.5745 -12.7477 -12.7477 -12.5396 -12.5396 -12.3594 -12.3594 -12.0089 -12.0089 -11.5730 -11.5730 -10.9343 -10.9343 -10.2462 -10.2462 -10.0863 -10.0863 -4.4630 -4.4630 -1.1711 -1.1711 -0.1843 -0.1843 0.7683 0.7683 1.0233 1.0233 1.2269 1.2269 2.1273 2.1273 3.0920 3.0920 4.1486 4.1486 4.2449 4.2449 4.5881 4.5881 4.8397 4.8397 5.0660 5.0660 5.0982 5.0982 5.2577 5.2577 5.5910 5.5910 5.8551 5.8551 6.0605 6.0605 10.8248 10.8248 11.5224 11.5224 13.8659 13.8659 14.1375 14.1375 14.1467 14.1467 14.5904 14.5904 k = 0.1439 0.2493-0.0000 ( 3782 PWs) bands (ev): -31.1995 -31.1995 -14.6018 -14.6018 -12.7381 -12.7381 -12.5212 -12.5212 -12.3609 -12.3609 -11.9900 -11.9900 -11.5746 -11.5746 -10.9337 -10.9337 -10.2268 -10.2268 -10.0874 -10.0874 -4.5404 -4.5404 -1.1437 -1.1437 -0.1942 -0.1942 0.7653 0.7653 0.9916 0.9916 1.2249 1.2249 2.0741 2.0741 3.1606 3.1606 4.1444 4.1444 4.3165 4.3165 4.5544 4.5544 4.8579 4.8579 5.0897 5.0897 5.1084 5.1084 5.2645 5.2645 5.5801 5.5801 5.8566 5.8566 6.0538 6.0538 10.7706 10.7706 11.5265 11.5265 13.8887 13.8887 14.1416 14.1416 14.1486 14.1486 14.5726 14.5726 k = 0.1364 0.2362-0.0000 ( 3774 PWs) bands (ev): -31.1995 -31.1995 -14.6281 -14.6281 -12.7320 -12.7320 -12.5032 -12.5032 -12.3611 -12.3611 -11.9687 -11.9687 -11.5762 -11.5762 -10.9340 -10.9340 -10.2083 -10.2083 -10.0875 -10.0875 -4.6159 -4.6159 -1.1185 -1.1185 -0.2021 -0.2021 0.7613 0.7613 0.9615 0.9615 1.2239 1.2239 2.0190 2.0190 3.2300 3.2300 4.1426 4.1426 4.3671 4.3671 4.5413 4.5413 4.8752 4.8752 5.1101 5.1101 5.1208 5.1208 5.2720 5.2720 5.5709 5.5709 5.8570 5.8570 6.0458 6.0458 10.7144 10.7144 11.5295 11.5295 13.9121 13.9121 14.1447 14.1447 14.1504 14.1504 14.5553 14.5553 k = 0.1288 0.2231-0.0000 ( 3766 PWs) bands (ev): -31.1995 -31.1995 -14.6531 -14.6531 -12.7284 -12.7284 -12.4870 -12.4870 -12.3599 -12.3599 -11.9451 -11.9451 -11.5778 -11.5778 -10.9351 -10.9351 -10.1906 -10.1906 -10.0866 -10.0866 -4.6895 -4.6895 -1.0955 -1.0955 -0.2080 -0.2080 0.7564 0.7564 0.9329 0.9329 1.2240 1.2240 1.9625 1.9625 3.2998 3.2998 4.1429 4.1429 4.3738 4.3738 4.5715 4.5715 4.8911 4.8911 5.1215 5.1215 5.1408 5.1408 5.2805 5.2805 5.5638 5.5638 5.8563 5.8563 6.0366 6.0366 10.6565 10.6565 11.5314 11.5314 13.9354 13.9354 14.1466 14.1466 14.1525 14.1525 14.5385 14.5385 k = 0.1212 0.2099-0.0000 ( 3766 PWs) bands (ev): -31.1995 -31.1995 -14.6769 -14.6769 -12.7266 -12.7266 -12.4733 -12.4733 -12.3571 -12.3571 -11.9195 -11.9195 -11.5792 -11.5792 -10.9370 -10.9370 -10.1737 -10.1737 -10.0848 -10.0848 -4.7609 -4.7609 -1.0745 -1.0745 -0.2120 -0.2120 0.7508 0.7508 0.9059 0.9059 1.2250 1.2250 1.9051 1.9051 3.3697 3.3697 4.1451 4.1451 4.3477 4.3477 4.6338 4.6338 4.9048 4.9048 5.1299 5.1299 5.1623 5.1623 5.2906 5.2906 5.5591 5.5591 5.8545 5.8545 6.0261 6.0261 10.5975 10.5975 11.5324 11.5324 13.9584 13.9584 14.1475 14.1475 14.1547 14.1547 14.5223 14.5223 k = 0.1136 0.1968-0.0000 ( 3760 PWs) bands (ev): -31.1996 -31.1996 -14.6994 -14.6994 -12.7260 -12.7260 -12.4624 -12.4624 -12.3528 -12.3528 -11.8922 -11.8922 -11.5806 -11.5806 -10.9398 -10.9398 -10.1579 -10.1579 -10.0822 -10.0822 -4.8297 -4.8297 -1.0555 -1.0555 -0.2141 -0.2141 0.7445 0.7445 0.8805 0.8805 1.2269 1.2269 1.8474 1.8474 3.4394 3.4394 4.1488 4.1488 4.3103 4.3103 4.7057 4.7057 4.9161 4.9161 5.1381 5.1381 5.1820 5.1820 5.3029 5.3029 5.5569 5.5569 5.8514 5.8514 6.0144 6.0144 10.5376 10.5376 11.5323 11.5323 13.9806 13.9806 14.1479 14.1479 14.1568 14.1568 14.5067 14.5067 k = 0.1061 0.1837-0.0000 ( 3760 PWs) bands (ev): -31.1996 -31.1996 -14.7206 -14.7206 -12.7263 -12.7263 -12.4542 -12.4542 -12.3473 -12.3473 -11.8637 -11.8637 -11.5818 -11.5818 -10.9432 -10.9432 -10.1431 -10.1431 -10.0789 -10.0789 -4.8957 -4.8957 -1.0383 -1.0383 -0.2145 -0.2145 0.7378 0.7378 0.8567 0.8567 1.2296 1.2296 1.7899 1.7899 3.5086 3.5086 4.1537 4.1537 4.2696 4.2696 4.7768 4.7768 4.9261 4.9261 5.1475 5.1475 5.1990 5.1990 5.3180 5.3180 5.5575 5.5575 5.8472 5.8472 6.0016 6.0016 10.4775 10.4775 11.5315 11.5315 14.0017 14.0017 14.1480 14.1480 14.1585 14.1585 14.4918 14.4918 k = 0.0985 0.1706-0.0000 ( 3760 PWs) bands (ev): -31.1996 -31.1996 -14.7405 -14.7405 -12.7273 -12.7273 -12.4484 -12.4484 -12.3411 -12.3411 -11.8343 -11.8343 -11.5828 -11.5828 -10.9471 -10.9471 -10.1293 -10.1293 -10.0750 -10.0750 -4.9587 -4.9587 -1.0229 -1.0229 -0.2132 -0.2132 0.7307 0.7307 0.8347 0.8347 1.2331 1.2331 1.7331 1.7331 3.5771 3.5771 4.1596 4.1596 4.2286 4.2286 4.8367 4.8367 4.9413 4.9413 5.1590 5.1590 5.2128 5.2128 5.3362 5.3362 5.5606 5.5606 5.8417 5.8417 5.9875 5.9875 10.4177 10.4177 11.5299 11.5299 14.0216 14.0216 14.1480 14.1480 14.1599 14.1599 14.4776 14.4776 k = 0.0909 0.1575-0.0000 ( 3758 PWs) bands (ev): -31.1997 -31.1997 -14.7591 -14.7591 -12.7286 -12.7286 -12.4443 -12.4443 -12.3346 -12.3346 -11.8047 -11.8047 -11.5836 -11.5836 -10.9516 -10.9516 -10.1166 -10.1166 -10.0706 -10.0706 -5.0184 -5.0184 -1.0091 -1.0091 -0.2104 -0.2104 0.7233 0.7233 0.8144 0.8144 1.2372 1.2372 1.6777 1.6777 3.6446 3.6446 4.1655 4.1655 4.1888 4.1888 4.8666 4.8666 4.9782 4.9782 5.1734 5.1734 5.2236 5.2236 5.3572 5.3572 5.5662 5.5662 5.8350 5.8350 5.9723 5.9723 10.3587 10.3587 11.5277 11.5277 14.0401 14.0401 14.1479 14.1479 14.1610 14.1610 14.4641 14.4641 k = 0.0833 0.1443-0.0000 ( 3754 PWs) bands (ev): -31.1997 -31.1997 -14.7762 -14.7762 -12.7303 -12.7303 -12.4415 -12.4415 -12.3282 -12.3282 -11.7753 -11.7753 -11.5842 -11.5842 -10.9563 -10.9563 -10.1051 -10.1051 -10.0659 -10.0659 -5.0746 -5.0746 -0.9968 -0.9968 -0.2063 -0.2063 0.7158 0.7158 0.7959 0.7959 1.2418 1.2418 1.6240 1.6240 3.7109 3.7109 4.1479 4.1479 4.1746 4.1746 4.8674 4.8674 5.0340 5.0340 5.1921 5.1921 5.2318 5.2318 5.3804 5.3804 5.5738 5.5738 5.8270 5.8270 5.9560 5.9560 10.3010 10.3010 11.5250 11.5250 14.0570 14.0570 14.1479 14.1479 14.1618 14.1618 14.4513 14.4513 k = 0.0758 0.1312-0.0000 ( 3756 PWs) bands (ev): -31.1997 -31.1997 -14.7919 -14.7919 -12.7320 -12.7320 -12.4396 -12.4396 -12.3221 -12.3221 -11.7468 -11.7468 -11.5847 -11.5847 -10.9612 -10.9612 -10.0948 -10.0948 -10.0608 -10.0608 -5.1269 -5.1269 -0.9859 -0.9859 -0.2011 -0.2011 0.7082 0.7082 0.7793 0.7793 1.2466 1.2466 1.5727 1.5727 3.7755 3.7755 4.1116 4.1116 4.1813 4.1813 4.8546 4.8546 5.0901 5.0901 5.2173 5.2173 5.2383 5.2383 5.4051 5.4051 5.5833 5.5833 5.8177 5.8177 5.9384 5.9384 10.2454 10.2454 11.5219 11.5219 14.0725 14.0725 14.1479 14.1479 14.1624 14.1624 14.4393 14.4393 k = 0.0682 0.1181-0.0000 ( 3756 PWs) bands (ev): -31.1997 -31.1997 -14.8062 -14.8062 -12.7339 -12.7339 -12.4383 -12.4383 -12.3165 -12.3165 -11.7195 -11.7195 -11.5849 -11.5849 -10.9662 -10.9662 -10.0858 -10.0858 -10.0556 -10.0556 -5.1751 -5.1751 -0.9764 -0.9764 -0.1949 -0.1949 0.7007 0.7007 0.7646 0.7646 1.2515 1.2515 1.5242 1.5242 3.8382 3.8382 4.0775 4.0775 4.1885 4.1885 4.8346 4.8346 5.1361 5.1361 5.2415 5.2415 5.2548 5.2548 5.4306 5.4306 5.5941 5.5941 5.8073 5.8073 5.9197 5.9197 10.1923 10.1923 11.5187 11.5187 14.0863 14.0863 14.1480 14.1480 14.1628 14.1628 14.4282 14.4282 k = 0.0606 0.1050-0.0000 ( 3748 PWs) bands (ev): -31.1997 -31.1997 -14.8191 -14.8191 -12.7356 -12.7356 -12.4373 -12.4373 -12.3115 -12.3115 -11.6940 -11.6940 -11.5849 -11.5849 -10.9710 -10.9710 -10.0779 -10.0779 -10.0503 -10.0503 -5.2191 -5.2191 -0.9682 -0.9682 -0.1882 -0.1882 0.6934 0.6934 0.7517 0.7517 1.2563 1.2563 1.4792 1.4792 3.8980 3.8980 4.0469 4.0469 4.1956 4.1956 4.8100 4.8100 5.1688 5.1688 5.2461 5.2461 5.3006 5.3006 5.4566 5.4566 5.6058 5.6058 5.7956 5.7956 5.8998 5.8998 10.1426 10.1426 11.5153 11.5153 14.0987 14.0987 14.1483 14.1483 14.1631 14.1631 14.4179 14.4179 k = 0.0530 0.0919-0.0000 ( 3754 PWs) bands (ev): -31.1998 -31.1998 -14.8305 -14.8305 -12.7374 -12.7374 -12.4367 -12.4367 -12.3071 -12.3071 -11.6708 -11.6708 -11.5847 -11.5847 -10.9757 -10.9757 -10.0711 -10.0711 -10.0452 -10.0452 -5.2584 -5.2584 -0.9611 -0.9611 -0.1811 -0.1811 0.6864 0.6864 0.7406 0.7406 1.2606 1.2606 1.4382 1.4382 3.9514 3.9514 4.0234 4.0234 4.2023 4.2023 4.7822 4.7822 5.1916 5.1916 5.2493 5.2493 5.3530 5.3530 5.4826 5.4826 5.6180 5.6180 5.7826 5.7826 5.8786 5.8786 10.0967 10.0967 11.5120 11.5120 14.1097 14.1097 14.1486 14.1486 14.1633 14.1633 14.4085 14.4085 k = 0.0455 0.0787-0.0000 ( 3758 PWs) bands (ev): -31.1998 -31.1998 -14.8403 -14.8403 -12.7390 -12.7390 -12.4363 -12.4363 -12.3034 -12.3034 -11.6501 -11.6501 -11.5841 -11.5841 -10.9800 -10.9800 -10.0654 -10.0654 -10.0405 -10.0405 -5.2930 -5.2930 -0.9551 -0.9551 -0.1740 -0.1740 0.6799 0.6799 0.7313 0.7313 1.2642 1.2642 1.4020 1.4020 3.9732 3.9732 4.0318 4.0318 4.2084 4.2084 4.7521 4.7521 5.2086 5.2086 5.2520 5.2520 5.4062 5.4062 5.5084 5.5084 5.6303 5.6303 5.7685 5.7685 5.8563 5.8563 10.0554 10.0554 11.5089 11.5089 14.1191 14.1191 14.1490 14.1490 14.1635 14.1635 14.4000 14.4000 k = 0.0379 0.0656-0.0000 ( 3766 PWs) bands (ev): -31.1998 -31.1998 -14.8487 -14.8487 -12.7404 -12.7404 -12.4359 -12.4359 -12.3003 -12.3003 -11.6327 -11.6327 -11.5831 -11.5831 -10.9838 -10.9838 -10.0608 -10.0608 -10.0362 -10.0362 -5.3227 -5.3227 -0.9502 -0.9502 -0.1673 -0.1673 0.6741 0.6741 0.7236 0.7236 1.2666 1.2666 1.3713 1.3713 3.9592 3.9592 4.0762 4.0762 4.2139 4.2139 4.7210 4.7210 5.2216 5.2216 5.2544 5.2544 5.4576 5.4576 5.5338 5.5338 5.6420 5.6420 5.7533 5.7533 5.8328 5.8328 10.0192 10.0192 11.5060 11.5060 14.1270 14.1270 14.1495 14.1495 14.1637 14.1637 14.3926 14.3926 k = 0.0303 0.0525-0.0000 ( 3770 PWs) bands (ev): -31.1998 -31.1998 -14.8556 -14.8556 -12.7416 -12.7416 -12.4357 -12.4357 -12.2977 -12.2977 -11.6189 -11.6189 -11.5814 -11.5814 -10.9871 -10.9871 -10.0570 -10.0570 -10.0325 -10.0325 -5.3471 -5.3471 -0.9462 -0.9462 -0.1612 -0.1612 0.6690 0.6690 0.7175 0.7175 1.2673 1.2673 1.3469 1.3469 3.9425 3.9425 4.1224 4.1224 4.2185 4.2185 4.6902 4.6902 5.2313 5.2313 5.2568 5.2568 5.5056 5.5056 5.5586 5.5586 5.6528 5.6528 5.7371 5.7371 5.8081 5.8081 9.9887 9.9887 11.5035 11.5035 14.1332 14.1332 14.1503 14.1503 14.1639 14.1639 14.3863 14.3863 k = 0.0227 0.0394-0.0000 ( 3773 PWs) bands (ev): -31.1998 -31.1998 -14.8610 -14.8610 -12.7426 -12.7426 -12.4355 -12.4355 -12.2957 -12.2957 -11.6091 -11.6091 -11.5788 -11.5788 -10.9897 -10.9897 -10.0541 -10.0541 -10.0296 -10.0296 -5.3664 -5.3664 -0.9432 -0.9432 -0.1562 -0.1562 0.6649 0.6649 0.7129 0.7129 1.2658 1.2658 1.3297 1.3297 3.9286 3.9286 4.1637 4.1637 4.2222 4.2222 4.6614 4.6614 5.2380 5.2380 5.2593 5.2593 5.5493 5.5493 5.5825 5.5825 5.6622 5.6622 5.7201 5.7201 5.7825 5.7825 9.9645 9.9645 11.5015 11.5015 14.1378 14.1378 14.1512 14.1512 14.1642 14.1642 14.3812 14.3812 k = 0.0152 0.0262-0.0000 ( 3785 PWs) bands (ev): -31.1998 -31.1998 -14.8648 -14.8648 -12.7433 -12.7433 -12.4355 -12.4355 -12.2944 -12.2944 -11.6033 -11.6033 -11.5757 -11.5757 -10.9917 -10.9917 -10.0520 -10.0520 -10.0274 -10.0274 -5.3802 -5.3802 -0.9411 -0.9411 -0.1523 -0.1523 0.6619 0.6619 0.7097 0.7097 1.2625 1.2625 1.3193 1.3193 3.9184 3.9184 4.1970 4.1970 4.2250 4.2250 4.6370 4.6370 5.2422 5.2422 5.2617 5.2617 5.5867 5.5867 5.6059 5.6059 5.6697 5.6697 5.7028 5.7028 5.7565 5.7565 9.9468 9.9468 11.5000 11.5000 14.1406 14.1406 14.1521 14.1521 14.1645 14.1645 14.3775 14.3775 k = 0.0076 0.0131-0.0000 ( 3789 PWs) bands (ev): -31.1998 -31.1998 -14.8671 -14.8671 -12.7437 -12.7437 -12.4354 -12.4354 -12.2935 -12.2935 -11.6004 -11.6004 -11.5731 -11.5731 -10.9929 -10.9929 -10.0508 -10.0508 -10.0261 -10.0261 -5.3885 -5.3885 -0.9398 -0.9398 -0.1499 -0.1499 0.6601 0.6601 0.7077 0.7077 1.2592 1.2592 1.3144 1.3144 3.9121 3.9121 4.2191 4.2191 4.2268 4.2268 4.6203 4.6203 5.2443 5.2443 5.2635 5.2635 5.6124 5.6124 5.6301 5.6301 5.6733 5.6733 5.6886 5.6886 5.7325 5.7325 9.9361 9.9361 11.4990 11.4990 14.1421 14.1421 14.1529 14.1529 14.1648 14.1648 14.3752 14.3752 k = 0.0000 0.0000 0.0000 ( 3777 PWs) bands (ev): -31.1998 -31.1998 -14.8679 -14.8679 -12.7438 -12.7438 -12.4354 -12.4354 -12.2932 -12.2932 -11.5995 -11.5995 -11.5722 -11.5722 -10.9932 -10.9932 -10.0504 -10.0504 -10.0257 -10.0257 -5.3913 -5.3913 -0.9394 -0.9394 -0.1491 -0.1491 0.6595 0.6595 0.7071 0.7071 1.2579 1.2579 1.3130 1.3130 3.9100 3.9100 4.2258 4.2258 4.2284 4.2284 4.6143 4.6143 5.2450 5.2450 5.2641 5.2641 5.6215 5.6215 5.6458 5.6458 5.6673 5.6673 5.6873 5.6873 5.7201 5.7201 9.9325 9.9325 11.4988 11.4988 14.1426 14.1426 14.1532 14.1532 14.1650 14.1650 14.3744 14.3744 k = 0.0000 0.0000 0.0000 ( 3777 PWs) bands (ev): -31.1998 -31.1998 -14.8679 -14.8679 -12.7438 -12.7438 -12.4354 -12.4354 -12.2932 -12.2932 -11.5995 -11.5995 -11.5722 -11.5722 -10.9932 -10.9932 -10.0504 -10.0504 -10.0257 -10.0257 -5.3913 -5.3913 -0.9394 -0.9394 -0.1491 -0.1491 0.6595 0.6595 0.7071 0.7071 1.2579 1.2579 1.3130 1.3130 3.9100 3.9100 4.2258 4.2258 4.2284 4.2284 4.6143 4.6143 5.2450 5.2450 5.2641 5.2641 5.6215 5.6215 5.6458 5.6458 5.6673 5.6673 5.6873 5.6873 5.7201 5.7201 9.9325 9.9325 11.4988 11.4988 14.1426 14.1426 14.1532 14.1532 14.1650 14.1650 14.3744 14.3744 k = 0.0000 0.0000 0.0153 ( 3789 PWs) bands (ev): -31.1998 -31.1998 -14.8681 -14.8681 -12.7433 -12.7433 -12.4353 -12.4353 -12.2936 -12.2936 -11.5989 -11.5989 -11.5714 -11.5714 -10.9943 -10.9943 -10.0509 -10.0509 -10.0262 -10.0262 -5.3912 -5.3912 -0.9379 -0.9379 -0.1494 -0.1494 0.6601 0.6601 0.7077 0.7077 1.2575 1.2575 1.3125 1.3125 3.9108 3.9108 4.2265 4.2265 4.2290 4.2290 4.6131 4.6131 5.2440 5.2440 5.2631 5.2631 5.6200 5.6200 5.6443 5.6443 5.6691 5.6691 5.6891 5.6891 5.7176 5.7176 9.9349 9.9349 11.4999 11.4999 14.1411 14.1411 14.1518 14.1518 14.1632 14.1632 14.3745 14.3745 k = 0.0000 0.0000 0.0306 ( 3801 PWs) bands (ev): -31.1999 -31.1999 -14.8686 -14.8686 -12.7415 -12.7415 -12.4349 -12.4349 -12.2945 -12.2945 -11.5972 -11.5972 -11.5692 -11.5692 -10.9974 -10.9974 -10.0524 -10.0524 -10.0278 -10.0278 -5.3910 -5.3910 -0.9337 -0.9337 -0.1503 -0.1503 0.6618 0.6618 0.7095 0.7095 1.2563 1.2563 1.3113 1.3113 3.9130 3.9130 4.2286 4.2286 4.2311 4.2311 4.6095 4.6095 5.2412 5.2412 5.2603 5.2603 5.6162 5.6162 5.6404 5.6404 5.6738 5.6738 5.6941 5.6941 5.7103 5.7103 9.9421 9.9421 11.5036 11.5036 14.1369 14.1369 14.1474 14.1474 14.1579 14.1579 14.3745 14.3745 k = 0.0000 0.0000 0.0459 ( 3789 PWs) bands (ev): -31.1998 -31.1998 -14.8695 -14.8695 -12.7385 -12.7385 -12.4342 -12.4342 -12.2961 -12.2961 -11.5943 -11.5943 -11.5656 -11.5656 -11.0025 -11.0025 -10.0548 -10.0548 -10.0304 -10.0304 -5.3906 -5.3906 -0.9266 -0.9266 -0.1518 -0.1518 0.6647 0.6647 0.7124 0.7124 1.2543 1.2543 1.3092 1.3092 3.9168 3.9168 4.2320 4.2320 4.2344 4.2344 4.6035 4.6035 5.2365 5.2365 5.2555 5.2555 5.6111 5.6111 5.6352 5.6352 5.6801 5.6801 5.6987 5.6987 5.7012 5.7012 9.9539 9.9539 11.5096 11.5096 14.1300 14.1300 14.1398 14.1398 14.1499 14.1499 14.3744 14.3744 k = 0.0000 0.0000 0.0613 ( 3777 PWs) bands (ev): -31.1998 -31.1998 -14.8707 -14.8707 -12.7345 -12.7345 -12.4332 -12.4332 -12.2982 -12.2982 -11.5902 -11.5902 -11.5606 -11.5606 -11.0097 -11.0097 -10.0582 -10.0582 -10.0340 -10.0340 -5.3900 -5.3900 -0.9167 -0.9167 -0.1538 -0.1538 0.6686 0.6686 0.7165 0.7165 1.2515 1.2515 1.3064 1.3064 3.9219 3.9219 4.2367 4.2367 4.2391 4.2391 4.5952 4.5952 5.2300 5.2300 5.2489 5.2489 5.6052 5.6052 5.6294 5.6294 5.6789 5.6789 5.6915 5.6915 5.7094 5.7094 9.9702 9.9702 11.5180 11.5180 14.1205 14.1205 14.1285 14.1285 14.1401 14.1401 14.3740 14.3740 k = 0.0000 0.0000 0.0766 ( 3765 PWs) bands (ev): -31.1998 -31.1998 -14.8723 -14.8723 -12.7294 -12.7294 -12.4318 -12.4318 -12.3008 -12.3008 -11.5851 -11.5851 -11.5543 -11.5543 -11.0189 -11.0189 -10.0626 -10.0626 -10.0386 -10.0386 -5.3894 -5.3894 -0.9042 -0.9042 -0.1564 -0.1564 0.6737 0.6737 0.7217 0.7217 1.2480 1.2480 1.3028 1.3028 3.9286 3.9286 4.2427 4.2427 4.2451 4.2451 4.5846 4.5846 5.2217 5.2217 5.2405 5.2405 5.5990 5.5990 5.6235 5.6235 5.6592 5.6592 5.6992 5.6992 5.7185 5.7185 9.9907 9.9907 11.5286 11.5286 14.1084 14.1084 14.1135 14.1135 14.1289 14.1289 14.3730 14.3730 k = 0.0000 0.0000 0.0919 ( 3765 PWs) bands (ev): -31.1998 -31.1998 -14.8742 -14.8742 -12.7235 -12.7235 -12.4298 -12.4298 -12.3039 -12.3039 -11.5789 -11.5789 -11.5467 -11.5467 -11.0300 -11.0300 -10.0678 -10.0678 -10.0442 -10.0442 -5.3886 -5.3886 -0.8890 -0.8890 -0.1595 -0.1595 0.6797 0.6797 0.7280 0.7280 1.2438 1.2438 1.2985 1.2985 3.9367 3.9367 4.2500 4.2500 4.2522 4.2522 4.5715 4.5715 5.2118 5.2118 5.2303 5.2303 5.5926 5.5926 5.6176 5.6176 5.6347 5.6347 5.7087 5.7087 5.7282 5.7282 10.0152 10.0152 11.5414 11.5414 14.0939 14.0939 14.0952 14.0952 14.1161 14.1161 14.3715 14.3715 k = 0.0000 0.0000 0.1072 ( 3753 PWs) bands (ev): -31.1998 -31.1998 -14.8764 -14.8764 -12.7168 -12.7168 -12.4271 -12.4271 -12.3075 -12.3075 -11.5717 -11.5717 -11.5379 -11.5379 -11.0430 -11.0430 -10.0739 -10.0739 -10.0507 -10.0507 -5.3876 -5.3876 -0.8714 -0.8714 -0.1631 -0.1631 0.6868 0.6868 0.7353 0.7353 1.2390 1.2390 1.2936 1.2936 3.9461 3.9461 4.2584 4.2584 4.2605 4.2605 4.5562 4.5562 5.2002 5.2002 5.2185 5.2185 5.5848 5.5848 5.6077 5.6077 5.6119 5.6119 5.7189 5.7189 5.7383 5.7383 10.0433 10.0433 11.5563 11.5563 14.0744 14.0744 14.0773 14.0773 14.1018 14.1018 14.3692 14.3692 k = 0.0000 0.0000 0.1225 ( 3765 PWs) bands (ev): -31.1998 -31.1998 -14.8788 -14.8788 -12.7096 -12.7096 -12.4237 -12.4237 -12.3115 -12.3115 -11.5637 -11.5637 -11.5281 -11.5281 -11.0579 -11.0579 -10.0809 -10.0809 -10.0582 -10.0582 -5.3866 -5.3866 -0.8514 -0.8514 -0.1672 -0.1672 0.6947 0.6947 0.7435 0.7435 1.2336 1.2336 1.2881 1.2881 3.9569 3.9569 4.2679 4.2679 4.2699 4.2699 4.5386 4.5386 5.1871 5.1871 5.2051 5.2051 5.5673 5.5673 5.5874 5.5874 5.6064 5.6064 5.7294 5.7294 5.7487 5.7487 10.0746 10.0746 11.5731 11.5731 14.0513 14.0513 14.0586 14.0586 14.0860 14.0860 14.3660 14.3660 k = 0.0000 0.0000 0.1378 ( 3765 PWs) bands (ev): -31.1998 -31.1998 -14.8815 -14.8815 -12.7020 -12.7020 -12.4192 -12.4192 -12.3158 -12.3158 -11.5548 -11.5548 -11.5172 -11.5172 -11.0745 -11.0745 -10.0886 -10.0886 -10.0664 -10.0664 -5.3854 -5.3854 -0.8293 -0.8293 -0.1716 -0.1716 0.7035 0.7035 0.7526 0.7526 1.2277 1.2277 1.2820 1.2820 3.9690 3.9690 4.2784 4.2784 4.2803 4.2803 4.5188 4.5188 5.1725 5.1725 5.1902 5.1902 5.5352 5.5352 5.5791 5.5791 5.6011 5.6011 5.7403 5.7403 5.7595 5.7595 10.1087 10.1087 11.5916 11.5916 14.0266 14.0266 14.0381 14.0381 14.0689 14.0689 14.3620 14.3620 k = 0.0000 0.0000 0.1531 ( 3765 PWs) bands (ev): -31.1998 -31.1998 -14.8843 -14.8843 -12.6942 -12.6942 -12.4135 -12.4135 -12.3203 -12.3203 -11.5451 -11.5451 -11.5055 -11.5055 -11.0928 -11.0928 -10.0970 -10.0970 -10.0754 -10.0754 -5.3842 -5.3842 -0.8051 -0.8051 -0.1765 -0.1765 0.7131 0.7131 0.7624 0.7624 1.2213 1.2213 1.2755 1.2755 3.9824 3.9824 4.2900 4.2900 4.2917 4.2917 4.4969 4.4969 5.1566 5.1566 5.1739 5.1739 5.4985 5.4985 5.5731 5.5731 5.5960 5.5960 5.7515 5.7515 5.7704 5.7704 10.1452 10.1452 11.6117 11.6117 14.0004 14.0004 14.0162 14.0162 14.0508 14.0508 14.3572 14.3572 k = 0.0000 0.0000 0.1685 ( 3771 PWs) bands (ev): -31.1998 -31.1998 -14.8874 -14.8874 -12.6865 -12.6865 -12.4065 -12.4065 -12.3251 -12.3251 -11.5348 -11.5348 -11.4930 -11.4930 -11.1127 -11.1127 -10.1060 -10.1060 -10.0851 -10.0851 -5.3828 -5.3828 -0.7791 -0.7791 -0.1816 -0.1816 0.7233 0.7233 0.7730 0.7730 1.2145 1.2145 1.2686 1.2686 3.9970 3.9970 4.3023 4.3023 4.3040 4.3040 4.4731 4.4731 5.1395 5.1395 5.1564 5.1564 5.4595 5.4595 5.5678 5.5678 5.5913 5.5913 5.7628 5.7628 5.7815 5.7815 10.1837 10.1837 11.6333 11.6333 13.9730 13.9730 13.9930 13.9930 14.0317 14.0317 14.3516 14.3516 k = 0.0000 0.0000 0.1838 ( 3765 PWs) bands (ev): -31.1998 -31.1998 -14.8905 -14.8905 -12.6791 -12.6791 -12.3978 -12.3978 -12.3299 -12.3299 -11.5239 -11.5239 -11.4798 -11.4798 -11.1340 -11.1340 -10.1157 -10.1157 -10.0954 -10.0954 -5.3814 -5.3814 -0.7514 -0.7514 -0.1870 -0.1870 0.7341 0.7341 0.7841 0.7841 1.2075 1.2075 1.2614 1.2614 4.0126 4.0126 4.3155 4.3155 4.3170 4.3170 4.4474 4.4474 5.1213 5.1213 5.1378 5.1378 5.4188 5.4188 5.5629 5.5629 5.5867 5.5867 5.7742 5.7742 5.7927 5.7927 10.2238 10.2238 11.6561 11.6561 13.9449 13.9449 13.9688 13.9688 14.0121 14.0121 14.3454 14.3454 k = 0.0000 0.0000 0.1991 ( 3777 PWs) bands (ev): -31.1998 -31.1998 -14.8938 -14.8938 -12.6721 -12.6721 -12.3875 -12.3875 -12.3349 -12.3349 -11.5125 -11.5125 -11.4661 -11.4661 -11.1568 -11.1568 -10.1258 -10.1258 -10.1063 -10.1063 -5.3800 -5.3800 -0.7224 -0.7224 -0.1926 -0.1926 0.7453 0.7453 0.7958 0.7958 1.2002 1.2002 1.2540 1.2540 4.0291 4.0291 4.3294 4.3294 4.3307 4.3307 4.4202 4.4202 5.1021 5.1021 5.1181 5.1181 5.3770 5.3770 5.5583 5.5583 5.5824 5.5824 5.7856 5.7856 5.8039 5.8039 10.2649 10.2649 11.6798 11.6798 13.9162 13.9162 13.9439 13.9439 13.9918 13.9918 14.3384 14.3384 k = 0.0000 0.0000 0.2144 ( 3765 PWs) bands (ev): -31.1997 -31.1997 -14.8972 -14.8972 -12.6657 -12.6657 -12.3753 -12.3753 -12.3398 -12.3398 -11.5008 -11.5008 -11.4519 -11.4519 -11.1807 -11.1807 -10.1363 -10.1363 -10.1177 -10.1177 -5.3785 -5.3785 -0.6923 -0.6923 -0.1983 -0.1983 0.7570 0.7570 0.8078 0.8078 1.1928 1.1928 1.2464 1.2464 4.0464 4.0464 4.3440 4.3440 4.3451 4.3451 4.3918 4.3918 5.0821 5.0821 5.0975 5.0975 5.3344 5.3344 5.5540 5.5540 5.5784 5.5784 5.7970 5.7970 5.8151 5.8151 10.3067 10.3067 11.7043 11.7043 13.8874 13.8874 13.9186 13.9186 13.9713 13.9713 14.3310 14.3310 k = 0.0000 0.0000 0.2297 ( 3759 PWs) bands (ev): -31.1997 -31.1997 -14.9005 -14.9005 -12.6601 -12.6601 -12.3613 -12.3613 -12.3448 -12.3448 -11.4889 -11.4889 -11.4374 -11.4374 -11.2058 -11.2058 -10.1472 -10.1472 -10.1294 -10.1294 -5.3769 -5.3769 -0.6613 -0.6613 -0.2042 -0.2042 0.7688 0.7688 0.8200 0.8200 1.1853 1.1853 1.2387 1.2387 4.0642 4.0642 4.3591 4.3591 4.3592 4.3592 4.3634 4.3634 5.0612 5.0612 5.0762 5.0762 5.2914 5.2914 5.5499 5.5499 5.5746 5.5746 5.8084 5.8084 5.8262 5.8262 10.3488 10.3488 11.7294 11.7294 13.8585 13.8585 13.8930 13.8930 13.9507 13.9507 14.3231 14.3231 k = 0.0000 0.0000 0.2450 ( 3759 PWs) bands (ev): -31.1997 -31.1997 -14.9039 -14.9039 -12.6552 -12.6552 -12.3496 -12.3496 -12.3455 -12.3455 -11.4769 -11.4769 -11.4228 -11.4228 -11.2317 -11.2317 -10.1582 -10.1582 -10.1414 -10.1414 -5.3754 -5.3754 -0.6298 -0.6298 -0.2100 -0.2100 0.7809 0.7809 0.8324 0.8324 1.1778 1.1778 1.2311 1.2311 4.0820 4.0820 4.3330 4.3330 4.3747 4.3747 4.3755 4.3755 5.0398 5.0398 5.0542 5.0542 5.2484 5.2484 5.5461 5.5461 5.5711 5.5711 5.8195 5.8195 5.8371 5.8371 10.3907 10.3907 11.7547 11.7547 13.8299 13.8299 13.8675 13.8675 13.9303 13.9303 14.3149 14.3149 k = 0.0000 0.0000 0.2604 ( 3753 PWs) bands (ev): -31.1997 -31.1997 -14.9072 -14.9072 -12.6512 -12.6512 -12.3543 -12.3543 -12.3279 -12.3279 -11.4651 -11.4651 -11.4081 -11.4081 -11.2584 -11.2584 -10.1694 -10.1694 -10.1535 -10.1535 -5.3739 -5.3739 -0.5980 -0.5980 -0.2158 -0.2158 0.7929 0.7929 0.8448 0.8448 1.1704 1.1704 1.2236 1.2236 4.0989 4.0989 4.3048 4.3048 4.3907 4.3907 4.3913 4.3913 5.0179 5.0179 5.0318 5.0318 5.2057 5.2057 5.5426 5.5426 5.5678 5.5678 5.8304 5.8304 5.8478 5.8478 10.4320 10.4320 11.7800 11.7800 13.8018 13.8018 13.8423 13.8423 13.9101 13.9101 14.3067 14.3067 k = 0.0000 0.0000 0.2757 ( 3735 PWs) bands (ev): -31.1997 -31.1997 -14.9104 -14.9104 -12.6478 -12.6478 -12.3588 -12.3588 -12.3087 -12.3087 -11.4536 -11.4536 -11.3935 -11.3935 -11.2855 -11.2855 -10.1806 -10.1806 -10.1657 -10.1657 -5.3723 -5.3723 -0.5663 -0.5663 -0.2216 -0.2216 0.8048 0.8048 0.8571 0.8571 1.1631 1.1631 1.2162 1.2162 4.1132 4.1132 4.2794 4.2794 4.4070 4.4070 4.4075 4.4075 4.9957 4.9957 5.0089 5.0089 5.1634 5.1634 5.5393 5.5393 5.5648 5.5648 5.8411 5.8411 5.8582 5.8582 10.4725 10.4725 11.8051 11.8051 13.7745 13.7745 13.8177 13.8177 13.8904 13.8904 14.2983 14.2983 k = 0.0000 0.0000 0.2910 ( 3735 PWs) bands (ev): -31.1997 -31.1997 -14.9136 -14.9136 -12.6452 -12.6452 -12.3632 -12.3632 -12.2881 -12.2881 -11.4429 -11.4429 -11.3792 -11.3792 -11.3125 -11.3125 -10.1916 -10.1916 -10.1778 -10.1778 -5.3709 -5.3709 -0.5349 -0.5349 -0.2271 -0.2271 0.8165 0.8165 0.8692 0.8692 1.1561 1.1561 1.2090 1.2090 4.1218 4.1218 4.2605 4.2605 4.4236 4.4236 4.4238 4.4238 4.9733 4.9733 4.9859 4.9859 5.1217 5.1217 5.5363 5.5363 5.5620 5.5620 5.8513 5.8513 5.8682 5.8682 10.5115 10.5115 11.8296 11.8296 13.7482 13.7482 13.7939 13.7939 13.8712 13.8712 14.2899 14.2899 k = 0.0000 0.0000 0.3063 ( 3735 PWs) bands (ev): -31.1997 -31.1997 -14.9166 -14.9166 -12.6432 -12.6432 -12.3673 -12.3673 -12.2664 -12.2664 -11.4337 -11.4337 -11.3652 -11.3652 -11.3386 -11.3386 -10.2024 -10.2024 -10.1896 -10.1896 -5.3695 -5.3695 -0.5043 -0.5043 -0.2325 -0.2325 0.8278 0.8278 0.8808 0.8808 1.1494 1.1494 1.2022 1.2022 4.1204 4.1204 4.2526 4.2526 4.4404 4.4404 4.4404 4.4404 4.9508 4.9508 4.9628 4.9628 5.0810 5.0810 5.5334 5.5334 5.5594 5.5594 5.8610 5.8610 5.8778 5.8778 10.5490 10.5490 11.8534 11.8534 13.7232 13.7232 13.7711 13.7711 13.8529 13.8529 14.2816 14.2816 k = 0.0000 0.0000 0.3216 ( 3735 PWs) bands (ev): -31.1997 -31.1997 -14.9194 -14.9194 -12.6417 -12.6417 -12.3711 -12.3711 -12.2438 -12.2438 -11.4283 -11.4283 -11.3615 -11.3615 -11.3518 -11.3518 -10.2129 -10.2129 -10.2011 -10.2011 -5.3681 -5.3681 -0.4748 -0.4748 -0.2376 -0.2376 0.8386 0.8386 0.8920 0.8920 1.1430 1.1430 1.1957 1.1957 4.1076 4.1076 4.2574 4.2574 4.4571 4.4571 4.4573 4.4573 4.9283 4.9283 4.9398 4.9398 5.0413 5.0413 5.5309 5.5309 5.5571 5.5571 5.8702 5.8702 5.8868 5.8868 10.5844 10.5844 11.8762 11.8762 13.6996 13.6996 13.7496 13.7496 13.8356 13.8356 14.2737 14.2737 k = 0.0000 0.0000 0.3369 ( 3735 PWs) bands (ev): -31.1996 -31.1996 -14.9221 -14.9221 -12.6407 -12.6407 -12.3747 -12.3747 -12.2207 -12.2207 -11.4318 -11.4318 -11.3759 -11.3759 -11.3390 -11.3390 -10.2229 -10.2229 -10.2121 -10.2121 -5.3668 -5.3668 -0.4468 -0.4468 -0.2424 -0.2424 0.8488 0.8488 0.9025 0.9025 1.1370 1.1370 1.1896 1.1896 4.0874 4.0874 4.2712 4.2712 4.4738 4.4738 4.4743 4.4743 4.9062 4.9062 4.9171 4.9171 5.0029 5.0029 5.5286 5.5286 5.5549 5.5549 5.8788 5.8788 5.8952 5.8952 10.6175 10.6175 11.8976 11.8976 13.6776 13.6776 13.7295 13.7295 13.8193 13.8193 14.2661 14.2661 k = 0.0000 0.0000 0.3522 ( 3717 PWs) bands (ev): -31.1996 -31.1996 -14.9245 -14.9245 -12.6399 -12.6399 -12.3779 -12.3779 -12.1973 -12.1973 -11.4476 -11.4476 -11.3781 -11.3781 -11.3270 -11.3270 -10.2322 -10.2322 -10.2224 -10.2224 -5.3656 -5.3656 -0.4205 -0.4205 -0.2468 -0.2468 0.8583 0.8583 0.9123 0.9123 1.1315 1.1315 1.1841 1.1841 4.0642 4.0642 4.2898 4.2898 4.4904 4.4904 4.4911 4.4911 4.8844 4.8844 4.8948 4.8948 4.9659 4.9659 5.5265 5.5265 5.5531 5.5531 5.8868 5.8868 5.9030 5.9030 10.6481 10.6481 11.9176 11.9176 13.6574 13.6574 13.7110 13.7110 13.8044 13.8044 14.2591 14.2591 k = 0.0000 0.0000 0.3676 ( 3717 PWs) bands (ev): -31.1996 -31.1996 -14.9267 -14.9267 -12.6394 -12.6394 -12.3808 -12.3808 -12.1742 -12.1742 -11.4699 -11.4699 -11.3738 -11.3738 -11.3161 -11.3161 -10.2408 -10.2408 -10.2320 -10.2320 -5.3646 -5.3646 -0.3964 -0.3964 -0.2508 -0.2508 0.8670 0.8670 0.9212 0.9212 1.1265 1.1265 1.1790 1.1790 4.0407 4.0407 4.3107 4.3107 4.5068 4.5068 4.5078 4.5078 4.8633 4.8633 4.8731 4.8731 4.9307 4.9307 5.5247 5.5247 5.5514 5.5514 5.8939 5.8939 5.9100 5.9100 10.6757 10.6757 11.9358 11.9358 13.6392 13.6392 13.6943 13.6943 13.7908 13.7908 14.2526 14.2526 k = 0.0000 0.0000 0.3829 ( 3717 PWs) bands (ev): -31.1996 -31.1996 -14.9287 -14.9287 -12.6392 -12.6392 -12.3833 -12.3833 -12.1520 -12.1520 -11.4934 -11.4934 -11.3678 -11.3678 -11.3062 -11.3062 -10.2486 -10.2486 -10.2406 -10.2406 -5.3636 -5.3636 -0.3747 -0.3747 -0.2543 -0.2543 0.8748 0.8748 0.9292 0.9292 1.1221 1.1221 1.1745 1.1745 4.0185 4.0185 4.3324 4.3324 4.5227 4.5227 4.5240 4.5240 4.8430 4.8430 4.8524 4.8524 4.8977 4.8977 5.5231 5.5231 5.5500 5.5500 5.9003 5.9003 5.9162 5.9162 10.7002 10.7002 11.9521 11.9521 13.6232 13.6232 13.6795 13.6795 13.7787 13.7787 14.2468 14.2468 k = 0.0000 0.0000 0.3982 ( 3717 PWs) bands (ev): -31.1996 -31.1996 -14.9304 -14.9304 -12.6390 -12.6390 -12.3855 -12.3855 -12.1310 -12.1310 -11.5160 -11.5160 -11.3618 -11.3618 -11.2976 -11.2976 -10.2554 -10.2554 -10.2482 -10.2482 -5.3628 -5.3628 -0.3558 -0.3558 -0.2574 -0.2574 0.8815 0.8815 0.9362 0.9362 1.1183 1.1183 1.1707 1.1707 3.9984 3.9984 4.3538 4.3538 4.5380 4.5380 4.5395 4.5395 4.8239 4.8239 4.8329 4.8329 4.8672 4.8672 5.5218 5.5218 5.5488 5.5488 5.9057 5.9057 5.9216 5.9216 10.7213 10.7213 11.9661 11.9661 13.6093 13.6093 13.6668 13.6668 13.7683 13.7683 14.2417 14.2417 k = 0.0000 0.0000 0.4135 ( 3693 PWs) bands (ev): -31.1996 -31.1996 -14.9318 -14.9318 -12.6389 -12.6389 -12.3872 -12.3872 -12.1122 -12.1122 -11.5365 -11.5365 -11.3564 -11.3564 -11.2904 -11.2904 -10.2611 -10.2611 -10.2546 -10.2546 -5.3621 -5.3621 -0.3399 -0.3399 -0.2599 -0.2599 0.8871 0.8871 0.9419 0.9419 1.1151 1.1151 1.1675 1.1675 3.9812 3.9812 4.3739 4.3739 4.5522 4.5522 4.5539 4.5539 4.8065 4.8065 4.8152 4.8152 4.8401 4.8401 5.5207 5.5207 5.5478 5.5478 5.9103 5.9103 5.9260 5.9260 10.7389 10.7389 11.9779 11.9779 13.5979 13.5979 13.6563 13.6563 13.7597 13.7597 14.2375 14.2375 k = 0.0000 0.0000 0.4288 ( 3693 PWs) bands (ev): -31.1996 -31.1996 -14.9329 -14.9329 -12.6389 -12.6389 -12.3887 -12.3887 -12.0962 -12.0962 -11.5538 -11.5538 -11.3521 -11.3521 -11.2846 -11.2846 -10.2656 -10.2656 -10.2597 -10.2597 -5.3616 -5.3616 -0.3273 -0.3273 -0.2619 -0.2619 0.8916 0.8916 0.9465 0.9465 1.1126 1.1126 1.1649 1.1649 3.9674 3.9674 4.3916 4.3916 4.5647 4.5647 4.5666 4.5666 4.7913 4.7913 4.7999 4.7999 4.8171 4.8171 5.5198 5.5198 5.5470 5.5470 5.9139 5.9139 5.9296 5.9296 10.7527 10.7527 11.9872 11.9872 13.5889 13.5889 13.6479 13.6479 13.7528 13.7528 14.2341 14.2341 k = 0.0000 0.0000 0.4441 ( 3699 PWs) bands (ev): -31.1996 -31.1996 -14.9337 -14.9337 -12.6389 -12.6389 -12.3897 -12.3897 -12.0840 -12.0840 -11.5670 -11.5670 -11.3488 -11.3488 -11.2804 -11.2804 -10.2689 -10.2689 -10.2634 -10.2634 -5.3612 -5.3612 -0.3182 -0.3182 -0.2634 -0.2634 0.8948 0.8948 0.9498 0.9498 1.1108 1.1108 1.1631 1.1631 3.9573 3.9573 4.4057 4.4057 4.5747 4.5747 4.5769 4.5769 4.7792 4.7792 4.7877 4.7877 4.7995 4.7995 5.5192 5.5192 5.5465 5.5465 5.9165 5.9165 5.9321 5.9321 10.7627 10.7627 11.9940 11.9940 13.5824 13.5824 13.6419 13.6419 13.7479 13.7479 14.2317 14.2317 k = 0.0000 0.0000 0.4594 ( 3716 PWs) bands (ev): -31.1996 -31.1996 -14.9342 -14.9342 -12.6390 -12.6390 -12.3903 -12.3903 -12.0764 -12.0764 -11.5754 -11.5754 -11.3468 -11.3468 -11.2779 -11.2779 -10.2709 -10.2709 -10.2657 -10.2657 -5.3609 -5.3609 -0.3126 -0.3126 -0.2643 -0.2643 0.8967 0.8967 0.9518 0.9518 1.1097 1.1097 1.1620 1.1620 3.9512 3.9512 4.4148 4.4148 4.5814 4.5814 4.5836 4.5836 4.7713 4.7713 4.7798 4.7798 4.7883 4.7883 5.5188 5.5188 5.5461 5.5461 5.9180 5.9180 5.9336 5.9336 10.7686 10.7686 11.9980 11.9980 13.5785 13.5785 13.6383 13.6383 13.7449 13.7449 14.2302 14.2302 k = 0.0000 0.0000 0.4748 ( 3716 PWs) bands (ev): -31.1996 -31.1996 -14.9343 -14.9343 -12.6390 -12.6390 -12.3905 -12.3905 -12.0737 -12.0737 -11.5782 -11.5782 -11.3462 -11.3462 -11.2771 -11.2771 -10.2716 -10.2716 -10.2664 -10.2664 -5.3609 -5.3609 -0.3108 -0.3108 -0.2645 -0.2645 0.8974 0.8974 0.9525 0.9525 1.1093 1.1093 1.1616 1.1616 3.9491 3.9491 4.4180 4.4180 4.5837 4.5837 4.5860 4.5860 4.7685 4.7685 4.7770 4.7770 4.7845 4.7845 5.5187 5.5187 5.5460 5.5460 5.9185 5.9185 5.9341 5.9341 10.7707 10.7707 11.9994 11.9994 13.5772 13.5772 13.6371 13.6371 13.7439 13.7439 14.2297 14.2297 k = 0.0000 0.0000 0.4748 ( 3716 PWs) bands (ev): -31.1996 -31.1996 -14.9343 -14.9343 -12.6390 -12.6390 -12.3905 -12.3905 -12.0737 -12.0737 -11.5782 -11.5782 -11.3462 -11.3462 -11.2771 -11.2771 -10.2716 -10.2716 -10.2664 -10.2664 -5.3609 -5.3609 -0.3108 -0.3108 -0.2645 -0.2645 0.8974 0.8974 0.9525 0.9525 1.1093 1.1093 1.1616 1.1616 3.9491 3.9491 4.4180 4.4180 4.5837 4.5837 4.5860 4.5860 4.7685 4.7685 4.7770 4.7770 4.7845 4.7845 5.5187 5.5187 5.5460 5.5460 5.9185 5.9185 5.9341 5.9341 10.7707 10.7707 11.9994 11.9994 13.5772 13.5772 13.6371 13.6371 13.7439 13.7439 14.2297 14.2297 k = 0.0132 0.0076 0.4748 ( 3716 PWs) bands (ev): -31.1996 -31.1996 -14.9334 -14.9334 -12.6392 -12.6392 -12.3908 -12.3908 -12.0741 -12.0741 -11.5773 -11.5773 -11.3478 -11.3478 -11.2787 -11.2787 -10.2712 -10.2712 -10.2660 -10.2660 -5.3580 -5.3580 -0.3126 -0.3126 -0.2655 -0.2655 0.8971 0.8971 0.9522 0.9522 1.1118 1.1118 1.1640 1.1640 3.9497 3.9497 4.4195 4.4195 4.5703 4.5703 4.5826 4.5826 4.7708 4.7708 4.7785 4.7785 4.7962 4.7962 5.5159 5.5159 5.5432 5.5432 5.9189 5.9189 5.9344 5.9344 10.7719 10.7719 11.9993 11.9993 13.5777 13.5777 13.6373 13.6373 13.7461 13.7461 14.2299 14.2299 k = 0.0263 0.0152 0.4748 ( 3718 PWs) bands (ev): -31.1996 -31.1996 -14.9308 -14.9308 -12.6398 -12.6398 -12.3917 -12.3917 -12.0751 -12.0751 -11.5746 -11.5746 -11.3526 -11.3526 -11.2834 -11.2834 -10.2703 -10.2703 -10.2645 -10.2645 -5.3495 -5.3495 -0.3181 -0.3181 -0.2683 -0.2683 0.8963 0.8963 0.9515 0.9515 1.1187 1.1187 1.1715 1.1715 3.9516 3.9516 4.4237 4.4237 4.5347 4.5347 4.5760 4.5760 4.7740 4.7740 4.7831 4.7831 4.8270 4.8270 5.5068 5.5068 5.5354 5.5354 5.9199 5.9199 5.9351 5.9351 10.7758 10.7758 11.9991 11.9991 13.5792 13.5792 13.6378 13.6378 13.7529 13.7529 14.2308 14.2308 k = 0.0395 0.0228 0.4748 ( 3726 PWs) bands (ev): -31.1996 -31.1996 -14.9263 -14.9263 -12.6408 -12.6408 -12.3931 -12.3931 -12.0769 -12.0769 -11.5701 -11.5701 -11.3610 -11.3610 -11.2907 -11.2907 -10.2695 -10.2695 -10.2614 -10.2614 -5.3353 -5.3353 -0.3272 -0.3272 -0.2727 -0.2727 0.8945 0.8945 0.9508 0.9508 1.1286 1.1286 1.1851 1.1851 3.9545 3.9545 4.4306 4.4306 4.4883 4.4883 4.5659 4.5659 4.7769 4.7769 4.7917 4.7917 4.8664 4.8664 5.4901 5.4901 5.5246 5.5246 5.9211 5.9211 5.9361 5.9361 10.7821 10.7821 11.9987 11.9987 13.5815 13.5815 13.6386 13.6386 13.7642 13.7642 14.2322 14.2322 k = 0.0526 0.0304 0.4748 ( 3720 PWs) bands (ev): -31.1996 -31.1996 -14.9201 -14.9201 -12.6422 -12.6422 -12.3951 -12.3951 -12.0793 -12.0793 -11.5638 -11.5638 -11.3733 -11.3733 -11.2999 -11.2999 -10.2690 -10.2690 -10.2566 -10.2566 -5.3156 -5.3156 -0.3399 -0.3399 -0.2786 -0.2786 0.8914 0.8914 0.9507 0.9507 1.1402 1.1402 1.2057 1.2057 3.9582 3.9582 4.4321 4.4321 4.4448 4.4448 4.5531 4.5531 4.7798 4.7798 4.8032 4.8032 4.9090 4.9090 5.4654 5.4654 5.5120 5.5120 5.9224 5.9224 5.9375 5.9375 10.7907 10.7907 11.9981 11.9981 13.5845 13.5845 13.6398 13.6398 13.7803 13.7803 14.2344 14.2344 k = 0.0658 0.0380 0.4748 ( 3724 PWs) bands (ev): -31.1996 -31.1996 -14.9121 -14.9121 -12.6439 -12.6439 -12.3977 -12.3977 -12.0826 -12.0826 -11.5560 -11.5560 -11.3897 -11.3897 -11.3104 -11.3104 -10.2687 -10.2687 -10.2504 -10.2504 -5.2905 -5.2905 -0.3560 -0.3560 -0.2855 -0.2855 0.8867 0.8867 0.9519 0.9519 1.1525 1.1525 1.2335 1.2335 3.9622 3.9622 4.3803 4.3803 4.4540 4.4540 4.5384 4.5384 4.7832 4.7832 4.8166 4.8166 4.9526 4.9526 5.4332 5.4332 5.4979 5.4979 5.9232 5.9232 5.9388 5.9388 10.8015 10.8015 11.9973 11.9973 13.5878 13.5878 13.6413 13.6413 13.8010 13.8010 14.2373 14.2373 k = 0.0789 0.0456 0.4748 ( 3732 PWs) bands (ev): -31.1996 -31.1996 -14.9023 -14.9023 -12.6460 -12.6460 -12.4008 -12.4008 -12.0866 -12.0866 -11.5467 -11.5467 -11.4105 -11.4105 -11.3215 -11.3215 -10.2686 -10.2686 -10.2431 -10.2431 -5.2601 -5.2601 -0.3755 -0.3755 -0.2932 -0.2932 0.8801 0.8801 0.9548 0.9548 1.1655 1.1655 1.2680 1.2680 3.9656 3.9656 4.3244 4.3244 4.4679 4.4679 4.5228 4.5228 4.7870 4.7870 4.8313 4.8313 4.9961 4.9961 5.3946 5.3946 5.4822 5.4822 5.9236 5.9236 5.9398 5.9398 10.8142 10.8142 11.9962 11.9962 13.5915 13.5915 13.6431 13.6431 13.8261 13.8261 14.2413 14.2413 k = 0.0921 0.0532 0.4748 ( 3728 PWs) bands (ev): -31.1995 -31.1995 -14.8908 -14.8908 -12.6485 -12.6485 -12.4044 -12.4044 -12.0915 -12.0915 -11.5361 -11.5361 -11.4354 -11.4354 -11.3329 -11.3329 -10.2688 -10.2688 -10.2348 -10.2348 -5.2247 -5.2247 -0.3981 -0.3981 -0.3012 -0.3012 0.8718 0.8718 0.9594 0.9594 1.1793 1.1793 1.3084 1.3084 3.9669 3.9669 4.2693 4.2693 4.4802 4.4802 4.5103 4.5103 4.7912 4.7912 4.8470 4.8470 5.0392 5.0392 5.3505 5.3505 5.4651 5.4651 5.9233 5.9233 5.9403 5.9403 10.8285 10.8285 11.9949 11.9949 13.5954 13.5954 13.6454 13.6454 13.8550 13.8550 14.2466 14.2466 k = 0.1053 0.0608 0.4748 ( 3732 PWs) bands (ev): -31.1995 -31.1995 -14.8775 -14.8775 -12.6513 -12.6513 -12.4086 -12.4086 -12.0972 -12.0972 -11.5245 -11.5245 -11.4638 -11.4638 -11.3441 -11.3441 -10.2692 -10.2692 -10.2257 -10.2257 -5.1844 -5.1844 -0.4238 -0.4238 -0.3091 -0.3091 0.8619 0.8619 0.9657 0.9657 1.1941 1.1941 1.3538 1.3538 3.9632 3.9632 4.2179 4.2179 4.4754 4.4754 4.5162 4.5162 4.7957 4.7957 4.8633 4.8633 5.0816 5.0816 5.3015 5.3015 5.4469 5.4469 5.9222 5.9222 5.9401 5.9401 10.8443 10.8443 11.9931 11.9931 13.5994 13.5994 13.6484 13.6484 13.8870 13.8870 14.2536 14.2536 k = 0.1184 0.0684 0.4748 ( 3724 PWs) bands (ev): -31.1995 -31.1995 -14.8625 -14.8625 -12.6545 -12.6545 -12.4133 -12.4133 -12.1040 -12.1040 -11.5126 -11.5126 -11.4950 -11.4950 -11.3549 -11.3549 -10.2700 -10.2700 -10.2160 -10.2160 -5.1396 -5.1396 -0.4524 -0.4524 -0.3166 -0.3166 0.8508 0.8508 0.9736 0.9736 1.2099 1.2099 1.4037 1.4037 3.9497 3.9497 4.1753 4.1753 4.4579 4.4579 4.5361 4.5361 4.8005 4.8005 4.8800 4.8800 5.1231 5.1231 5.2485 5.2485 5.4278 5.4278 5.9203 5.9203 5.9391 5.9391 10.8612 10.8612 11.9909 11.9909 13.6035 13.6035 13.6522 13.6522 13.9211 13.9211 14.2630 14.2630 k = 0.1316 0.0760 0.4748 ( 3722 PWs) bands (ev): -31.1995 -31.1995 -14.8458 -14.8458 -12.6581 -12.6581 -12.4186 -12.4186 -12.1117 -12.1117 -11.5294 -11.5294 -11.5002 -11.5002 -11.3646 -11.3646 -10.2713 -10.2713 -10.2058 -10.2058 -5.0904 -5.0904 -0.4838 -0.4838 -0.3234 -0.3234 0.8385 0.8385 0.9830 0.9830 1.2266 1.2266 1.4572 1.4572 3.9211 3.9211 4.1469 4.1469 4.4374 4.4374 4.5600 4.5600 4.8054 4.8054 4.8969 4.8969 5.1633 5.1633 5.1922 5.1922 5.4083 5.4083 5.9175 5.9175 5.9370 5.9370 10.8789 10.8789 11.9881 11.9881 13.6077 13.6077 13.6571 13.6571 13.9560 13.9560 14.2755 14.2755 k = 0.1447 0.0836 0.4748 ( 3726 PWs) bands (ev): -31.1995 -31.1995 -14.8274 -14.8274 -12.6620 -12.6620 -12.4246 -12.4246 -12.1207 -12.1207 -11.5647 -11.5647 -11.4899 -11.4899 -11.3720 -11.3720 -10.2730 -10.2730 -10.1953 -10.1953 -5.0371 -5.0371 -0.5177 -0.5177 -0.3291 -0.3291 0.8255 0.8255 0.9938 0.9938 1.2442 1.2442 1.5138 1.5138 3.8761 3.8761 4.1338 4.1338 4.4155 4.4155 4.5862 4.5862 4.8103 4.8103 4.9139 4.9139 5.1324 5.1324 5.2029 5.2029 5.3891 5.3891 5.9138 5.9138 5.9340 5.9340 10.8972 10.8972 11.9847 11.9847 13.6117 13.6117 13.6633 13.6633 13.9901 13.9901 14.2920 14.2920 k = 0.1579 0.0912 0.4748 ( 3726 PWs) bands (ev): -31.1994 -31.1994 -14.8073 -14.8073 -12.6664 -12.6664 -12.4312 -12.4312 -12.1310 -12.1310 -11.6011 -11.6011 -11.4830 -11.4830 -11.3751 -11.3751 -10.2754 -10.2754 -10.1846 -10.1846 -4.9800 -4.9800 -0.5541 -0.5541 -0.3335 -0.3335 0.8120 0.8120 1.0060 1.0060 1.2626 1.2626 1.5729 1.5729 3.8188 3.8188 4.1322 4.1322 4.3925 4.3925 4.6141 4.6141 4.8151 4.8151 4.9304 4.9304 5.0716 5.0716 5.2392 5.2392 5.3714 5.3714 5.9093 5.9093 5.9300 5.9300 10.9158 10.9158 11.9806 11.9806 13.6156 13.6156 13.6712 13.6712 14.0218 14.0218 14.3138 14.3138 k = 0.1711 0.0988 0.4748 ( 3730 PWs) bands (ev): -31.1994 -31.1994 -14.7856 -14.7856 -12.6712 -12.6712 -12.4386 -12.4386 -12.1427 -12.1427 -11.6379 -11.6379 -11.4815 -11.4815 -11.3720 -11.3720 -10.2785 -10.2785 -10.1738 -10.1738 -4.9194 -4.9194 -0.5927 -0.5927 -0.3365 -0.3365 0.7982 0.7982 1.0195 1.0195 1.2818 1.2818 1.6339 1.6339 3.7540 3.7540 4.1375 4.1375 4.3683 4.3683 4.6431 4.6431 4.8196 4.8196 4.9444 4.9444 5.0121 5.0121 5.2697 5.2697 5.3590 5.3590 5.9039 5.9039 5.9250 5.9250 10.9344 10.9344 11.9757 11.9757 13.6193 13.6193 13.6808 13.6808 14.0496 14.0496 14.3415 14.3415 k = 0.1842 0.1064 0.4748 ( 3734 PWs) bands (ev): -31.1994 -31.1994 -14.7622 -14.7622 -12.6766 -12.6766 -12.4469 -12.4469 -12.1560 -12.1560 -11.6742 -11.6742 -11.4860 -11.4860 -11.3623 -11.3623 -10.2824 -10.2824 -10.1629 -10.1629 -4.8557 -4.8557 -0.6335 -0.6335 -0.3378 -0.3378 0.7843 0.7843 1.0342 1.0342 1.3015 1.3015 1.6962 1.6962 3.6849 3.6849 4.1466 4.1466 4.3428 4.3428 4.6724 4.6724 4.8237 4.8237 4.9311 4.9311 4.9797 4.9797 5.2841 5.2841 5.3618 5.3618 5.8978 5.8978 5.9191 5.9191 10.9530 10.9530 11.9700 11.9700 13.6229 13.6229 13.6922 13.6922 14.0726 14.0726 14.3752 14.3752 k = 0.1974 0.1140 0.4748 ( 3730 PWs) bands (ev): -31.1994 -31.1994 -14.7372 -14.7372 -12.6825 -12.6825 -12.4561 -12.4561 -12.1707 -12.1707 -11.7095 -11.7095 -11.4953 -11.4953 -11.3470 -11.3470 -10.2871 -10.2871 -10.1521 -10.1521 -4.7891 -4.7891 -0.6762 -0.6762 -0.3373 -0.3373 0.7706 0.7706 1.0501 1.0501 1.3218 1.3218 1.7591 1.7591 3.6135 3.6135 4.1578 4.1578 4.3159 4.3159 4.7002 4.7002 4.8273 4.8273 4.8770 4.8770 4.9904 4.9904 5.2780 5.2780 5.3849 5.3849 5.8909 5.8909 5.9123 5.9123 10.9713 10.9713 11.9633 11.9633 13.6263 13.6263 13.7056 13.7056 14.0910 14.0910 14.4142 14.4142 k = 0.2105 0.1215 0.4748 ( 3730 PWs) bands (ev): -31.1993 -31.1993 -14.7106 -14.7106 -12.6893 -12.6893 -12.4666 -12.4666 -12.1870 -12.1870 -11.7430 -11.7430 -11.5075 -11.5075 -11.3280 -11.3280 -10.2926 -10.2926 -10.1413 -10.1413 -4.7199 -4.7199 -0.7207 -0.7207 -0.3351 -0.3351 0.7573 0.7573 1.0671 1.0671 1.3424 1.3424 1.8218 1.8218 3.5414 3.5414 4.1700 4.1700 4.2872 4.2872 4.7188 4.7188 4.8255 4.8255 4.8326 4.8326 5.0069 5.0069 5.2625 5.2625 5.4168 5.4168 5.8833 5.8833 5.9047 5.9047 10.9892 10.9892 11.9557 11.9557 13.6298 13.6298 13.7206 13.7206 14.1052 14.1052 14.4572 14.4572 k = 0.2237 0.1291 0.4748 ( 3740 PWs) bands (ev): -31.1993 -31.1993 -14.6825 -14.6825 -12.6972 -12.6972 -12.4784 -12.4784 -12.2046 -12.2046 -11.7743 -11.7743 -11.5216 -11.5216 -11.3063 -11.3063 -10.2992 -10.2992 -10.1307 -10.1307 -4.6485 -4.6485 -0.7668 -0.7668 -0.3310 -0.3310 0.7447 0.7447 1.0852 1.0852 1.3633 1.3633 1.8834 1.8834 3.4696 3.4696 4.1824 4.1824 4.2565 4.2565 4.7040 4.7040 4.8119 4.8119 4.8336 4.8336 5.0243 5.0243 5.2441 5.2441 5.4512 5.4512 5.8751 5.8751 5.8962 5.8962 11.0066 11.0066 11.9469 11.9469 13.6333 13.6333 13.7374 13.7374 14.1160 14.1160 14.5024 14.5024 k = 0.2368 0.1367 0.4748 ( 3740 PWs) bands (ev): -31.1993 -31.1993 -14.6529 -14.6529 -12.7064 -12.7064 -12.4916 -12.4916 -12.2231 -12.2231 -11.8029 -11.8029 -11.5368 -11.5368 -11.2828 -11.2828 -10.3067 -10.3067 -10.1203 -10.1203 -4.5752 -4.5752 -0.8145 -0.8145 -0.3250 -0.3250 0.7330 0.7330 1.1043 1.1043 1.3844 1.3844 1.9429 1.9429 3.3996 3.3996 4.1933 4.1933 4.2246 4.2246 4.6568 4.6568 4.8311 4.8311 4.8357 4.8357 5.0421 5.0421 5.2248 5.2248 5.4862 5.4862 5.8665 5.8665 5.8870 5.8870 11.0235 11.0235 11.9371 11.9371 13.6370 13.6370 13.7558 13.7558 14.1243 14.1243 14.5483 14.5483 k = 0.2500 0.1443 0.4748 ( 3738 PWs) bands (ev): -31.1992 -31.1992 -14.6218 -14.6218 -12.7175 -12.7175 -12.5063 -12.5063 -12.2419 -12.2419 -11.8286 -11.8286 -11.5526 -11.5526 -11.2579 -11.2579 -10.3153 -10.3153 -10.1102 -10.1102 -4.5003 -4.5003 -0.8634 -0.8634 -0.3174 -0.3174 0.7225 0.7225 1.1244 1.1244 1.4055 1.4055 1.9989 1.9989 3.3327 3.3327 4.1807 4.1807 4.2123 4.2123 4.6028 4.6028 4.8368 4.8368 4.8608 4.8608 5.0603 5.0603 5.2052 5.2052 5.5210 5.5210 5.8575 5.8575 5.8772 5.8772 11.0399 11.0399 11.9260 11.9260 13.6409 13.6409 13.7756 13.7756 14.1306 14.1306 14.5934 14.5934 k = 0.2632 0.1519 0.4748 ( 3742 PWs) bands (ev): -31.1992 -31.1992 -14.5893 -14.5893 -12.7310 -12.7310 -12.5223 -12.5223 -12.2605 -12.2605 -11.8514 -11.8514 -11.5686 -11.5686 -11.2319 -11.2319 -10.3250 -10.3250 -10.1004 -10.1004 -4.4243 -4.4243 -0.9136 -0.9136 -0.3080 -0.3080 0.7133 0.7133 1.1454 1.1454 1.4265 1.4265 2.0498 2.0498 3.2706 3.2706 4.1418 4.1418 4.2221 4.2221 4.5501 4.5501 4.8377 4.8377 4.8923 4.8923 5.0789 5.0789 5.1854 5.1854 5.5552 5.5552 5.8482 5.8482 5.8667 5.8667 11.0558 11.0558 11.9138 11.9138 13.6450 13.6450 13.7966 13.7966 14.1356 14.1356 14.6364 14.6364 k = 0.2763 0.1595 0.4748 ( 3742 PWs) bands (ev): -31.1992 -31.1992 -14.5555 -14.5555 -12.7478 -12.7478 -12.5390 -12.5390 -12.2782 -12.2782 -11.8714 -11.8714 -11.5847 -11.5847 -11.2050 -11.2050 -10.3358 -10.3358 -10.0909 -10.0909 -4.3474 -4.3474 -0.9648 -0.9648 -0.2972 -0.2972 0.7059 0.7059 1.1671 1.1671 1.4473 1.4473 2.0936 2.0936 3.2154 3.2154 4.0973 4.0973 4.2326 4.2326 4.5012 4.5012 4.8380 4.8380 4.9240 4.9240 5.0979 5.0979 5.1657 5.1657 5.5887 5.5887 5.8388 5.8388 5.8556 5.8556 11.0713 11.0713 11.9005 11.9005 13.6494 13.6494 13.8187 13.8187 14.1394 14.1394 14.6764 14.6764 k = 0.2895 0.1671 0.4748 ( 3742 PWs) bands (ev): -31.1992 -31.1992 -14.5204 -14.5204 -12.7686 -12.7686 -12.5556 -12.5556 -12.2945 -12.2945 -11.8887 -11.8887 -11.6007 -11.6007 -11.1774 -11.1774 -10.3476 -10.3476 -10.0818 -10.0818 -4.2699 -4.2699 -1.0167 -1.0167 -0.2851 -0.2851 0.7003 0.7003 1.1896 1.1896 1.4677 1.4677 2.1278 2.1278 3.1695 3.1695 4.0486 4.0486 4.2422 4.2422 4.4570 4.4570 4.8380 4.8380 4.9548 4.9548 5.1174 5.1174 5.1462 5.1462 5.6214 5.6214 5.8295 5.8295 5.8440 5.8440 11.0864 11.0864 11.8860 11.8860 13.6542 13.6542 13.8416 13.8416 14.1425 14.1425 14.7125 14.7125 k = 0.3026 0.1747 0.4748 ( 3746 PWs) bands (ev): -31.1991 -31.1991 -14.4842 -14.4842 -12.7942 -12.7942 -12.5714 -12.5714 -12.3090 -12.3090 -11.9036 -11.9036 -11.6164 -11.6164 -11.1492 -11.1492 -10.3606 -10.3606 -10.0730 -10.0730 -4.1925 -4.1925 -1.0692 -1.0692 -0.2720 -0.2720 0.6970 0.6970 1.2126 1.2126 1.4877 1.4877 2.1502 2.1502 3.1353 3.1353 3.9963 3.9963 4.2506 4.2506 4.4179 4.4179 4.8377 4.8377 4.9841 4.9841 5.1241 5.1241 5.1404 5.1404 5.6529 5.6529 5.8202 5.8202 5.8320 5.8320 11.1012 11.1012 11.8703 11.8703 13.6592 13.6592 13.8650 13.8650 14.1449 14.1449 14.7444 14.7444 k = 0.3158 0.1823 0.4748 ( 3754 PWs) bands (ev): -31.1991 -31.1991 -14.4468 -14.4468 -12.8247 -12.8247 -12.5857 -12.5857 -12.3218 -12.3218 -11.9164 -11.9164 -11.6316 -11.6316 -11.1206 -11.1206 -10.3747 -10.3747 -10.0647 -10.0647 -4.1153 -4.1153 -1.1221 -1.1221 -0.2580 -0.2580 0.6961 0.6961 1.2361 1.2361 1.5070 1.5070 2.1586 2.1586 3.1148 3.1148 3.9414 3.9414 4.2575 4.2575 4.3835 4.3835 4.8372 4.8372 5.0112 5.0112 5.1051 5.1051 5.1615 5.1615 5.6831 5.6831 5.8112 5.8112 5.8196 5.8196 11.1159 11.1159 11.8536 11.8536 13.6646 13.6646 13.8888 13.8888 14.1469 14.1469 14.7717 14.7717 k = 0.3289 0.1899 0.4748 ( 3754 PWs) bands (ev): -31.1991 -31.1991 -14.4085 -14.4085 -12.8599 -12.8599 -12.5979 -12.5979 -12.3327 -12.3327 -11.9274 -11.9274 -11.6463 -11.6463 -11.0915 -11.0915 -10.3898 -10.3898 -10.0569 -10.0569 -4.0388 -4.0388 -1.1751 -1.1751 -0.2435 -0.2435 0.6978 0.6978 1.2600 1.2600 1.5256 1.5256 2.1521 2.1521 3.1090 3.1090 3.8848 3.8848 4.2629 4.2629 4.3534 4.3534 4.8366 4.8366 5.0357 5.0357 5.0853 5.0853 5.1847 5.1847 5.7117 5.7117 5.8022 5.8022 5.8074 5.8074 11.1304 11.1304 11.8360 11.8360 13.6702 13.6702 13.9126 13.9126 14.1485 14.1485 14.7948 14.7948 k = 0.3421 0.1975 0.4748 ( 3760 PWs) bands (ev): -31.1991 -31.1991 -14.3695 -14.3695 -12.8992 -12.8992 -12.6081 -12.6081 -12.3421 -12.3421 -11.9369 -11.9369 -11.6604 -11.6604 -11.0623 -11.0623 -10.4061 -10.4061 -10.0495 -10.0495 -3.9637 -3.9637 -1.2279 -1.2279 -0.2288 -0.2288 0.7024 0.7024 1.2839 1.2839 1.5432 1.5432 2.1315 2.1315 3.1172 3.1172 3.8278 3.8278 4.2664 4.2664 4.3271 4.3271 4.8360 4.8360 5.0564 5.0564 5.0665 5.0665 5.2093 5.2093 5.7381 5.7381 5.7920 5.7920 5.7973 5.7973 11.1448 11.1448 11.8175 11.8175 13.6760 13.6760 13.9361 13.9361 14.1498 14.1498 14.8139 14.8139 k = 0.3553 0.2051 0.4748 ( 3752 PWs) bands (ev): -31.1990 -31.1990 -14.3298 -14.3298 -12.9417 -12.9417 -12.6164 -12.6164 -12.3500 -12.3500 -11.9449 -11.9449 -11.6738 -11.6738 -11.0328 -11.0328 -10.4233 -10.4233 -10.0426 -10.0426 -3.8902 -3.8902 -1.2800 -1.2800 -0.2143 -0.2143 0.7099 0.7099 1.3078 1.3078 1.5598 1.5598 2.0987 2.0987 3.1375 3.1375 3.7713 3.7713 4.2680 4.2680 4.3041 4.3041 4.8355 4.8355 5.0448 5.0448 5.0774 5.0774 5.2350 5.2350 5.7593 5.7593 5.7800 5.7800 5.7927 5.7927 11.1593 11.1593 11.7984 11.7984 13.6820 13.6820 13.9591 13.9591 14.1510 14.1510 14.8295 14.8295 k = 0.3684 0.2127 0.4748 ( 3750 PWs) bands (ev): -31.1990 -31.1990 -14.2897 -14.2897 -12.9865 -12.9865 -12.6233 -12.6233 -12.3567 -12.3567 -11.9518 -11.9518 -11.6863 -11.6863 -11.0033 -11.0033 -10.4415 -10.4415 -10.0362 -10.0362 -3.8191 -3.8191 -1.3312 -1.3312 -0.2001 -0.2001 0.7205 0.7205 1.3314 1.3314 1.5752 1.5752 2.0564 2.0564 3.1670 3.1670 3.7163 3.7163 4.2674 4.2674 4.2841 4.2841 4.8351 4.8351 5.0254 5.0254 5.0938 5.0938 5.2613 5.2613 5.7617 5.7617 5.7727 5.7727 5.8009 5.8009 11.1737 11.1737 11.7788 11.7788 13.6881 13.6881 13.9812 13.9812 14.1520 14.1520 14.8424 14.8424 k = 0.3816 0.2203 0.4748 ( 3748 PWs) bands (ev): -31.1990 -31.1990 -14.2495 -14.2495 -13.0324 -13.0324 -12.6288 -12.6288 -12.3623 -12.3623 -11.9577 -11.9577 -11.6979 -11.6979 -10.9739 -10.9739 -10.4605 -10.4605 -10.0304 -10.0304 -3.7509 -3.7509 -1.3809 -1.3809 -0.1867 -0.1867 0.7341 0.7341 1.3543 1.3543 1.5893 1.5893 2.0076 2.0076 3.2030 3.2030 3.6637 3.6637 4.2623 4.2623 4.2693 4.2693 4.8349 4.8349 5.0064 5.0064 5.1081 5.1081 5.2877 5.2877 5.7495 5.7495 5.7682 5.7682 5.8195 5.8195 11.1882 11.1882 11.7589 11.7589 13.6941 13.6941 14.0023 14.0023 14.1530 14.1530 14.8533 14.8533 k = 0.3947 0.2279 0.4748 ( 3758 PWs) bands (ev): -31.1990 -31.1990 -14.2096 -14.2096 -13.0787 -13.0787 -12.6334 -12.6334 -12.3671 -12.3671 -11.9627 -11.9627 -11.7086 -11.7086 -10.9447 -10.9447 -10.4804 -10.4804 -10.0252 -10.0252 -3.6863 -3.6863 -1.4285 -1.4285 -0.1743 -0.1743 0.7503 0.7503 1.3764 1.3764 1.6020 1.6020 1.9551 1.9551 3.2427 3.2427 3.6143 3.6143 4.2490 4.2490 4.2631 4.2631 4.8348 4.8348 4.9882 4.9882 5.1203 5.1203 5.3139 5.3139 5.7357 5.7357 5.7628 5.7628 5.8389 5.8389 11.2024 11.2024 11.7391 11.7391 13.7000 13.7000 14.0220 14.0220 14.1538 14.1538 14.8629 14.8629 k = 0.4079 0.2355 0.4748 ( 3758 PWs) bands (ev): -31.1989 -31.1989 -14.1705 -14.1705 -13.1243 -13.1243 -12.6371 -12.6371 -12.3710 -12.3710 -11.9669 -11.9669 -11.7181 -11.7181 -10.9159 -10.9159 -10.5009 -10.5009 -10.0205 -10.0205 -3.6261 -3.6261 -1.4734 -1.4734 -0.1630 -0.1630 0.7690 0.7690 1.3973 1.3973 1.6131 1.6131 1.9012 1.9012 3.2838 3.2838 3.5688 3.5688 4.2358 4.2358 4.2573 4.2573 4.8350 4.8350 4.9710 4.9710 5.1307 5.1307 5.3392 5.3392 5.7218 5.7218 5.7578 5.7578 5.8569 5.8569 11.2165 11.2165 11.7197 11.7197 13.7057 13.7057 14.0400 14.0400 14.1547 14.1547 14.8720 14.8720 k = 0.4211 0.2431 0.4748 ( 3754 PWs) bands (ev): -31.1989 -31.1989 -14.1329 -14.1329 -13.1683 -13.1683 -12.6400 -12.6400 -12.3742 -12.3742 -11.9703 -11.9703 -11.7266 -11.7266 -10.8877 -10.8877 -10.5218 -10.5218 -10.0164 -10.0164 -3.5712 -3.5712 -1.5149 -1.5149 -0.1530 -0.1530 0.7893 0.7893 1.4165 1.4165 1.6227 1.6227 1.8481 1.8481 3.3242 3.3242 3.5279 3.5279 4.2244 4.2244 4.2504 4.2504 4.8352 4.8352 4.9553 4.9553 5.1395 5.1395 5.3634 5.3634 5.7079 5.7079 5.7532 5.7532 5.8729 5.8729 11.2301 11.2301 11.7010 11.7010 13.7110 13.7110 14.0561 14.0561 14.1555 14.1555 14.8811 14.8811 k = 0.4342 0.2507 0.4748 ( 3754 PWs) bands (ev): -31.1989 -31.1989 -14.0975 -14.0975 -13.2094 -13.2094 -12.6424 -12.6424 -12.3768 -12.3768 -11.9732 -11.9732 -11.7338 -11.7338 -10.8605 -10.8605 -10.5430 -10.5430 -10.0130 -10.0130 -3.5225 -3.5225 -1.5521 -1.5521 -0.1445 -0.1445 0.8105 0.8105 1.4336 1.4336 1.6307 1.6307 1.7980 1.7980 3.3620 3.3620 3.4924 3.4924 4.2147 4.2147 4.2427 4.2427 4.8356 4.8356 4.9413 4.9413 5.1468 5.1468 5.3858 5.3858 5.6946 5.6946 5.7492 5.7492 5.8868 5.8868 11.2429 11.2429 11.6837 11.6837 13.7158 13.7158 14.0702 14.0702 14.1562 14.1562 14.8910 14.8910 k = 0.4474 0.2583 0.4748 ( 3758 PWs) bands (ev): -31.1989 -31.1989 -14.0654 -14.0654 -13.2464 -13.2464 -12.6443 -12.6443 -12.3789 -12.3789 -11.9755 -11.9755 -11.7398 -11.7398 -10.8346 -10.8346 -10.5638 -10.5638 -10.0101 -10.0101 -3.4808 -3.4808 -1.5842 -1.5842 -0.1375 -0.1375 0.8312 0.8312 1.4483 1.4483 1.6372 1.6372 1.7528 1.7528 3.3952 3.3952 3.4631 3.4631 4.2068 4.2068 4.2349 4.2349 4.8360 4.8360 4.9294 4.9294 5.1526 5.1526 5.4059 5.4059 5.6820 5.6820 5.7459 5.7459 5.8982 5.8982 11.2544 11.2544 11.6682 11.6682 13.7199 13.7199 14.0819 14.0819 14.1569 14.1569 14.9020 14.9020 k = 0.4605 0.2659 0.4748 ( 3758 PWs) bands (ev): -31.1989 -31.1989 -14.0380 -14.0380 -13.2778 -13.2778 -12.6456 -12.6456 -12.3805 -12.3805 -11.9772 -11.9772 -11.7445 -11.7445 -10.8109 -10.8109 -10.5835 -10.5835 -10.0079 -10.0079 -3.4472 -3.4472 -1.6103 -1.6103 -0.1320 -0.1320 0.8500 0.8500 1.4600 1.4600 1.6421 1.6421 1.7147 1.7147 3.4189 3.4189 3.4439 3.4439 4.2006 4.2006 4.2276 4.2276 4.8364 4.8364 4.9198 4.9198 5.1571 5.1571 5.4231 5.4231 5.6708 5.6708 5.7434 5.7434 5.9073 5.9073 11.2642 11.2642 11.6552 11.6552 13.7232 13.7232 14.0912 14.0912 14.1576 14.1576 14.9145 14.9145 k = 0.4737 0.2735 0.4748 ( 3756 PWs) bands (ev): -31.1989 -31.1989 -14.0167 -14.0167 -13.3020 -13.3020 -12.6466 -12.6466 -12.3815 -12.3815 -11.9784 -11.9784 -11.7479 -11.7479 -10.7908 -10.7908 -10.6008 -10.6008 -10.0063 -10.0063 -3.4225 -3.4225 -1.6297 -1.6297 -0.1281 -0.1281 0.8653 0.8653 1.4684 1.4684 1.6456 1.6456 1.6855 1.6855 3.4159 3.4159 3.4511 3.4511 4.1961 4.1961 4.2217 4.2217 4.8367 4.8367 4.9128 4.9128 5.1602 5.1602 5.4364 5.4364 5.6618 5.6618 5.7415 5.7415 5.9138 5.9138 11.2718 11.2718 11.6452 11.6452 13.7257 13.7257 14.0979 14.0979 14.1581 14.1581 14.9285 14.9285 k = 0.4868 0.2811 0.4748 ( 3756 PWs) bands (ev): -31.1989 -31.1989 -14.0032 -14.0032 -13.3174 -13.3174 -12.6472 -12.6472 -12.3822 -12.3822 -11.9791 -11.9791 -11.7500 -11.7500 -10.7767 -10.7767 -10.6132 -10.6132 -10.0053 -10.0053 -3.4073 -3.4073 -1.6416 -1.6416 -0.1258 -0.1258 0.8753 0.8753 1.4735 1.4735 1.6481 1.6481 1.6668 1.6668 3.4069 3.4069 3.4629 3.4629 4.1934 4.1934 4.2178 4.2178 4.8369 4.8369 4.9085 4.9085 5.1621 5.1621 5.4450 5.4450 5.6559 5.6559 5.7404 5.7404 5.9177 5.9177 11.2766 11.2766 11.6390 11.6390 13.7272 13.7272 14.1020 14.1020 14.1584 14.1584 14.9426 14.9426 k = 0.5000 0.2887 0.4748 ( 3748 PWs) bands (ev): -31.1989 -31.1989 -13.9985 -13.9985 -13.3226 -13.3226 -12.6473 -12.6473 -12.3824 -12.3824 -11.9793 -11.9793 -11.7507 -11.7507 -10.7714 -10.7714 -10.6179 -10.6179 -10.0050 -10.0050 -3.4022 -3.4022 -1.6456 -1.6456 -0.1250 -0.1250 0.8788 0.8788 1.4751 1.4751 1.6494 1.6494 1.6600 1.6600 3.4036 3.4036 3.4672 3.4672 4.1925 4.1925 4.2164 4.2164 4.8370 4.8370 4.9071 4.9071 5.1628 5.1628 5.4480 5.4480 5.6538 5.6538 5.7401 5.7401 5.9190 5.9190 11.2783 11.2783 11.6368 11.6368 13.7277 13.7277 14.1034 14.1034 14.1585 14.1585 14.9505 14.9505 k = 0.5000 0.2887 0.4748 ( 3748 PWs) bands (ev): -31.1989 -31.1989 -13.9985 -13.9985 -13.3226 -13.3226 -12.6473 -12.6473 -12.3824 -12.3824 -11.9793 -11.9793 -11.7507 -11.7507 -10.7714 -10.7714 -10.6179 -10.6179 -10.0050 -10.0050 -3.4022 -3.4022 -1.6456 -1.6456 -0.1250 -0.1250 0.8788 0.8788 1.4751 1.4751 1.6494 1.6494 1.6600 1.6600 3.4036 3.4036 3.4672 3.4672 4.1925 4.1925 4.2164 4.2164 4.8370 4.8370 4.9071 4.9071 5.1628 5.1628 5.4480 5.4480 5.6538 5.6538 5.7401 5.7401 5.9190 5.9190 11.2783 11.2783 11.6368 11.6368 13.7277 13.7277 14.1034 14.1034 14.1585 14.1585 14.9505 14.9505 k = 0.4924 0.3018 0.4748 ( 3758 PWs) bands (ev): -31.1989 -31.1989 -13.9976 -13.9976 -13.3226 -13.3226 -12.6474 -12.6474 -12.3827 -12.3827 -11.9853 -11.9853 -11.7457 -11.7457 -10.7711 -10.7711 -10.6178 -10.6178 -10.0051 -10.0051 -3.4002 -3.4002 -1.6478 -1.6478 -0.1235 -0.1235 0.8763 0.8763 1.4786 1.4786 1.6320 1.6320 1.6777 1.6777 3.4011 3.4011 3.4616 3.4616 4.1965 4.1965 4.2191 4.2191 4.8369 4.8369 4.9073 4.9073 5.1624 5.1624 5.4468 5.4468 5.6542 5.6542 5.7407 5.7407 5.9194 5.9194 11.2784 11.2784 11.6364 11.6364 13.7284 13.7284 14.1012 14.1012 14.1587 14.1587 14.9452 14.9452 k = 0.4848 0.3149 0.4748 ( 3750 PWs) bands (ev): -31.1989 -31.1989 -13.9948 -13.9948 -13.3226 -13.3226 -12.6477 -12.6477 -12.3836 -12.3836 -12.0019 -12.0019 -11.7324 -11.7324 -10.7703 -10.7703 -10.6174 -10.6174 -10.0056 -10.0056 -3.3941 -3.3941 -1.6544 -1.6544 -0.1191 -0.1191 0.8688 0.8688 1.4888 1.4888 1.6106 1.6106 1.7001 1.7001 3.3934 3.3934 3.4453 3.4453 4.2081 4.2081 4.2270 4.2270 4.8366 4.8366 4.9079 4.9079 5.1614 5.1614 5.4432 5.4432 5.6553 5.6553 5.7425 5.7425 5.9206 5.9206 11.2790 11.2790 11.6351 11.6351 13.7303 13.7303 14.0950 14.0950 14.1593 14.1593 14.9306 14.9306 k = 0.4773 0.3280 0.4748 ( 3754 PWs) bands (ev): -31.1989 -31.1989 -13.9901 -13.9901 -13.3227 -13.3227 -12.6483 -12.6483 -12.3853 -12.3853 -12.0260 -12.0260 -11.7135 -11.7135 -10.7690 -10.7690 -10.6167 -10.6167 -10.0064 -10.0064 -3.3840 -3.3840 -1.6654 -1.6654 -0.1118 -0.1118 0.8571 0.8571 1.5044 1.5044 1.5902 1.5902 1.7229 1.7229 3.3808 3.3808 3.4196 3.4196 4.2261 4.2261 4.2400 4.2400 4.8361 4.8361 4.9089 4.9089 5.1598 5.1598 5.4375 5.4375 5.6572 5.6572 5.7454 5.7454 5.9224 5.9224 11.2800 11.2800 11.6329 11.6329 13.7335 13.7335 14.0849 14.0849 14.1603 14.1603 14.9093 14.9093 k = 0.4697 0.3412 0.4748 ( 3756 PWs) bands (ev): -31.1989 -31.1989 -13.9836 -13.9836 -13.3228 -13.3228 -12.6491 -12.6491 -12.3875 -12.3875 -12.0548 -12.0548 -11.6918 -11.6918 -10.7671 -10.7671 -10.6158 -10.6158 -10.0075 -10.0075 -3.3698 -3.3698 -1.6807 -1.6807 -0.1017 -0.1017 0.8417 0.8417 1.5212 1.5212 1.5743 1.5743 1.7462 1.7462 3.3629 3.3629 3.3867 3.3867 4.2489 4.2489 4.2578 4.2578 4.8353 4.8353 4.9102 4.9102 5.1575 5.1575 5.4297 5.4297 5.6602 5.6602 5.7493 5.7493 5.9247 5.9247 11.2814 11.2814 11.6298 11.6298 13.7380 13.7380 14.0713 14.0713 14.1617 14.1617 14.8837 14.8837 k = 0.4621 0.3543 0.4748 ( 3760 PWs) bands (ev): -31.1989 -31.1989 -13.9752 -13.9752 -13.3231 -13.3231 -12.6503 -12.6503 -12.3905 -12.3905 -12.0863 -12.0863 -11.6691 -11.6691 -10.7647 -10.7647 -10.6147 -10.6147 -10.0090 -10.0090 -3.3517 -3.3517 -1.7003 -1.7003 -0.0888 -0.0888 0.8235 0.8235 1.5241 1.5241 1.5771 1.5771 1.7699 1.7699 3.3344 3.3344 3.3537 3.3537 4.2736 4.2736 4.2814 4.2814 4.8344 4.8344 4.9117 4.9117 5.1547 5.1547 5.4201 5.4201 5.6642 5.6642 5.7539 5.7539 5.9272 5.9272 11.2832 11.2832 11.6259 11.6259 13.7436 13.7436 14.0548 14.0548 14.1636 14.1636 14.8554 14.8554 k = 0.4545 0.3674 0.4748 ( 3760 PWs) bands (ev): -31.1989 -31.1989 -13.9649 -13.9649 -13.3237 -13.3237 -12.6519 -12.6519 -12.3942 -12.3942 -12.1190 -12.1190 -11.6465 -11.6465 -10.7617 -10.7617 -10.6133 -10.6133 -10.0107 -10.0107 -3.3297 -3.3297 -1.7240 -1.7240 -0.0731 -0.0731 0.8032 0.8032 1.5086 1.5086 1.6023 1.6023 1.7942 1.7942 3.2908 3.2908 3.3272 3.3272 4.2989 4.2989 4.3099 4.3099 4.8332 4.8332 4.9132 4.9132 5.1515 5.1515 5.4089 5.4089 5.6694 5.6694 5.7591 5.7591 5.9297 5.9297 11.2856 11.2856 11.6210 11.6210 13.7504 13.7504 14.0361 14.0361 14.1659 14.1659 14.8257 14.8257 k = 0.4470 0.3805 0.4748 ( 3756 PWs) bands (ev): -31.1989 -31.1989 -13.9528 -13.9528 -13.3247 -13.3247 -12.6541 -12.6541 -12.3988 -12.3988 -12.1518 -12.1518 -11.6246 -11.6246 -10.7582 -10.7582 -10.6117 -10.6117 -10.0128 -10.0128 -3.3038 -3.3038 -1.7516 -1.7516 -0.0549 -0.0549 0.7813 0.7813 1.4881 1.4881 1.6358 1.6358 1.8191 1.8191 3.2398 3.2398 3.3012 3.3012 4.3260 4.3260 4.3410 4.3410 4.8317 4.8317 4.9147 4.9147 5.1479 5.1479 5.3965 5.3965 5.6758 5.6758 5.7646 5.7646 5.9319 5.9319 11.2884 11.2884 11.6153 11.6153 13.7582 13.7582 14.0160 14.0160 14.1687 14.1687 14.7955 14.7955 k = 0.4394 0.3936 0.4748 ( 3760 PWs) bands (ev): -31.1989 -31.1989 -13.9389 -13.9389 -13.3263 -13.3263 -12.6571 -12.6571 -12.4042 -12.4042 -12.1838 -12.1838 -11.6039 -11.6039 -10.7542 -10.7542 -10.6099 -10.6099 -10.0152 -10.0152 -3.2742 -3.2742 -1.7831 -1.7831 -0.0342 -0.0342 0.7583 0.7583 1.4662 1.4662 1.6733 1.6733 1.8448 1.8448 3.1845 3.1845 3.2739 3.2739 4.3548 4.3548 4.3729 4.3729 4.8299 4.8299 4.9159 4.9159 5.1443 5.1443 5.3831 5.3831 5.6835 5.6835 5.7704 5.7704 5.9336 5.9336 11.2918 11.2918 11.6086 11.6086 13.7669 13.7669 13.9951 13.9951 14.1718 14.1718 14.7651 14.7651 k = 0.4318 0.4068 0.4748 ( 3760 PWs) bands (ev): -31.1989 -31.1989 -13.9231 -13.9231 -13.3287 -13.3287 -12.6609 -12.6609 -12.4106 -12.4106 -12.2142 -12.2142 -11.5846 -11.5846 -10.7496 -10.7496 -10.6081 -10.6081 -10.0179 -10.0179 -3.2408 -3.2408 -1.8183 -1.8183 -0.0112 -0.0112 0.7347 0.7347 1.4441 1.4441 1.7133 1.7133 1.8713 1.8713 3.1260 3.1260 3.2454 3.2454 4.3850 4.3850 4.4048 4.4048 4.8278 4.8278 4.9164 4.9164 5.1410 5.1410 5.3690 5.3690 5.6925 5.6925 5.7762 5.7762 5.9346 5.9346 11.2958 11.2958 11.6011 11.6011 13.7765 13.7765 13.9742 13.9742 14.1752 14.1752 14.7350 14.7350 k = 0.4242 0.4199 0.4748 ( 3756 PWs) bands (ev): -31.1989 -31.1989 -13.9056 -13.9056 -13.3321 -13.3321 -12.6658 -12.6658 -12.4180 -12.4180 -12.2423 -12.2423 -11.5670 -11.5670 -10.7446 -10.7446 -10.6062 -10.6062 -10.0208 -10.0208 -3.2039 -3.2039 -1.8569 -1.8569 0.0140 0.0140 0.7106 0.7106 1.4219 1.4219 1.7551 1.7551 1.8987 1.8987 3.0651 3.0651 3.2161 3.2161 4.4163 4.4163 4.4362 4.4362 4.8254 4.8254 4.9161 4.9161 5.1382 5.1382 5.3544 5.3544 5.7025 5.7025 5.7820 5.7820 5.9346 5.9346 11.3005 11.3005 11.5927 11.5927 13.7867 13.7867 13.9541 13.9541 14.1789 14.1789 14.7054 14.7054 k = 0.4167 0.4330 0.4748 ( 3756 PWs) bands (ev): -31.1988 -31.1988 -13.8862 -13.8862 -13.3369 -13.3369 -12.6720 -12.6720 -12.4263 -12.4263 -12.2673 -12.2673 -11.5511 -11.5511 -10.7390 -10.7390 -10.6044 -10.6044 -10.0239 -10.0239 -3.1635 -3.1635 -1.8990 -1.8990 0.0412 0.0412 0.6861 0.6861 1.4000 1.4000 1.7982 1.7982 1.9271 1.9271 3.0023 3.0023 3.1863 3.1863 4.4483 4.4483 4.4666 4.4666 4.8226 4.8226 4.9145 4.9145 5.1364 5.1364 5.3396 5.3396 5.7135 5.7135 5.7876 5.7876 5.9335 5.9335 11.3059 11.3059 11.5833 11.5833 13.7975 13.7975 13.9353 13.9353 14.1829 14.1829 14.6763 14.6763 k = 0.4091 0.4461 0.4748 ( 3768 PWs) bands (ev): -31.1988 -31.1988 -13.8651 -13.8651 -13.3434 -13.3434 -12.6795 -12.6795 -12.4354 -12.4354 -12.2888 -12.2888 -11.5369 -11.5369 -10.7329 -10.7329 -10.6029 -10.6029 -10.0272 -10.0272 -3.1197 -3.1197 -1.9442 -1.9442 0.0701 0.0701 0.6615 0.6615 1.3785 1.3785 1.8421 1.8421 1.9565 1.9565 2.9379 2.9379 3.1565 3.1565 4.4806 4.4806 4.4956 4.4956 4.8193 4.8193 4.9113 4.9113 5.1358 5.1358 5.3249 5.3249 5.7252 5.7252 5.7930 5.7930 5.9312 5.9312 11.3121 11.3121 11.5731 11.5731 13.8084 13.8084 13.9182 13.9182 14.1869 14.1869 14.6480 14.6480 k = 0.4015 0.4593 0.4748 ( 3764 PWs) bands (ev): -31.1988 -31.1988 -13.8423 -13.8423 -13.3519 -13.3519 -12.6882 -12.6882 -12.4447 -12.4447 -12.3069 -12.3069 -11.5245 -11.5245 -10.7263 -10.7263 -10.6017 -10.6017 -10.0306 -10.0306 -3.0727 -3.0727 -1.9923 -1.9923 0.1006 0.1006 0.6366 0.6366 1.3578 1.3578 1.8865 1.8865 1.9870 1.9870 2.8724 2.8724 3.1269 3.1269 4.5129 4.5129 4.5230 4.5230 4.8156 4.8156 4.9063 4.9063 5.1368 5.1368 5.3103 5.3103 5.7375 5.7375 5.7981 5.7981 5.9276 5.9276 11.3192 11.3192 11.5620 11.5620 13.8195 13.8195 13.9034 13.9034 14.1912 14.1912 14.6205 14.6205 k = 0.3939 0.4724 0.4748 ( 3772 PWs) bands (ev): -31.1988 -31.1988 -13.8177 -13.8177 -13.3627 -13.3627 -12.6980 -12.6980 -12.4538 -12.4538 -12.3216 -12.3216 -11.5138 -11.5138 -10.7192 -10.7192 -10.6010 -10.6010 -10.0340 -10.0340 -3.0227 -3.0227 -2.0433 -2.0433 0.1324 0.1324 0.6115 0.6115 1.3379 1.3379 1.9310 1.9310 2.0185 2.0185 2.8060 2.8060 3.0980 3.0980 4.5442 4.5442 4.5492 4.5492 4.8114 4.8114 4.8994 4.8994 5.1395 5.1395 5.2962 5.2962 5.7500 5.7500 5.8030 5.8030 5.9228 5.9228 11.3271 11.3271 11.5501 11.5501 13.8302 13.8302 13.8912 13.8912 14.1955 14.1955 14.5940 14.5940 k = 0.3864 0.4855 0.4748 ( 3776 PWs) bands (ev): -31.1988 -31.1988 -13.7914 -13.7914 -13.3763 -13.3763 -12.7085 -12.7085 -12.4622 -12.4622 -12.3334 -12.3334 -11.5047 -11.5047 -10.7116 -10.7116 -10.6010 -10.6010 -10.0372 -10.0372 -2.9697 -2.9697 -2.0969 -2.0969 0.1652 0.1652 0.5862 0.5862 1.3192 1.3192 1.9754 1.9754 2.0509 2.0509 2.7391 2.7391 3.0702 3.0702 4.5700 4.5700 4.5783 4.5783 4.8067 4.8067 4.8905 4.8905 5.1439 5.1439 5.2826 5.2826 5.7623 5.7623 5.8078 5.8078 5.9167 5.9167 11.3361 11.3361 11.5373 11.5373 13.8402 13.8402 13.8819 13.8819 14.1999 14.1999 14.5688 14.5688 k = 0.3788 0.4986 0.4748 ( 3776 PWs) bands (ev): -31.1988 -31.1988 -13.7635 -13.7635 -13.3930 -13.3930 -12.7191 -12.7191 -12.4694 -12.4694 -12.3427 -12.3427 -11.4972 -11.4972 -10.7036 -10.7036 -10.6019 -10.6019 -10.0403 -10.0403 -2.9141 -2.9141 -2.1530 -2.1530 0.1988 0.1988 0.5606 0.5606 1.3019 1.3019 2.0193 2.0193 2.0841 2.0841 2.6720 2.6720 3.0439 3.0439 4.5910 4.5910 4.6091 4.6091 4.8014 4.8014 4.8798 4.8798 5.1498 5.1498 5.2697 5.2697 5.7741 5.7741 5.8126 5.8126 5.9096 5.9096 11.3460 11.3460 11.5238 11.5238 13.8491 13.8491 13.8756 13.8756 14.2041 14.2041 14.5452 14.5452 k = 0.3712 0.5117 0.4748 ( 3776 PWs) bands (ev): -31.1988 -31.1988 -13.7340 -13.7340 -13.4129 -13.4129 -12.7291 -12.7291 -12.4752 -12.4752 -12.3500 -12.3500 -11.4912 -11.4912 -10.6953 -10.6953 -10.6038 -10.6038 -10.0431 -10.0431 -2.8558 -2.8558 -2.2114 -2.2114 0.2327 0.2327 0.5347 0.5347 1.2864 1.2864 2.0625 2.0625 2.1180 2.1180 2.6048 2.6048 3.0196 3.0196 4.6092 4.6092 4.6394 4.6394 4.7955 4.7955 4.8675 4.8675 5.1572 5.1572 5.2574 5.2574 5.7846 5.7846 5.8179 5.8179 5.9016 5.9016 11.3570 11.3570 11.5095 11.5095 13.8559 13.8559 13.8729 13.8729 14.2081 14.2081 14.5235 14.5235 k = 0.3636 0.5249 0.4748 ( 3784 PWs) bands (ev): -31.1988 -31.1988 -13.7028 -13.7028 -13.4364 -13.4364 -12.7380 -12.7380 -12.4797 -12.4797 -12.3557 -12.3557 -11.4865 -11.4865 -10.6866 -10.6866 -10.6069 -10.6069 -10.0455 -10.0455 -2.7953 -2.7953 -2.2720 -2.2720 0.2666 0.2666 0.5085 0.5085 1.2729 1.2729 2.1046 2.1046 2.1521 2.1521 2.5379 2.5379 2.9979 2.9979 4.6245 4.6245 4.6686 4.6686 4.7892 4.7892 4.8538 4.8538 5.1657 5.1657 5.2458 5.2458 5.7931 5.7931 5.8241 5.8241 5.8929 5.8929 11.3691 11.3691 11.4945 11.4945 13.8599 13.8599 13.8737 13.8737 14.2118 14.2118 14.5042 14.5042 k = 0.3561 0.5380 0.4748 ( 3784 PWs) bands (ev): -31.1988 -31.1988 -13.6702 -13.6702 -13.4632 -13.4632 -12.7453 -12.7453 -12.4830 -12.4830 -12.3599 -12.3599 -11.4830 -11.4830 -10.6778 -10.6778 -10.6111 -10.6111 -10.0474 -10.0474 -2.7325 -2.7325 -2.3346 -2.3346 0.3000 0.3000 0.4818 0.4818 1.2618 1.2618 2.1454 2.1454 2.1862 2.1862 2.4716 2.4716 2.9795 2.9795 4.6369 4.6369 4.6967 4.6967 4.7824 4.7824 4.8390 4.8390 5.1749 5.1749 5.2348 5.2348 5.7990 5.7990 5.8317 5.8317 5.8839 5.8839 11.3824 11.3824 11.4789 11.4789 13.8623 13.8623 13.8763 13.8763 14.2149 14.2149 14.4881 14.4881 k = 0.3485 0.5511 0.4748 ( 3780 PWs) bands (ev): -31.1988 -31.1988 -13.6360 -13.6360 -13.4935 -13.4935 -12.7506 -12.7506 -12.4851 -12.4851 -12.3628 -12.3628 -11.4807 -11.4807 -10.6692 -10.6692 -10.6162 -10.6162 -10.0489 -10.0489 -2.6679 -2.6679 -2.3990 -2.3990 0.3324 0.3324 0.4549 0.4549 1.2534 1.2534 2.1843 2.1843 2.2193 2.2193 2.4065 2.4065 2.9653 2.9653 4.6462 4.6462 4.7230 4.7230 4.7753 4.7753 4.8237 4.8237 5.1846 5.1846 5.2245 5.2245 5.8026 5.8026 5.8400 5.8400 5.8750 5.8750 11.3968 11.3968 11.4628 11.4628 13.8647 13.8647 13.8784 13.8784 14.2174 14.2174 14.4758 14.4758 k = 0.3409 0.5642 0.4748 ( 3780 PWs) bands (ev): -31.1988 -31.1988 -13.6004 -13.6004 -13.5269 -13.5269 -12.7538 -12.7538 -12.4863 -12.4863 -12.3645 -12.3645 -11.4794 -11.4794 -10.6619 -10.6619 -10.6214 -10.6214 -10.0497 -10.0497 -2.6015 -2.6015 -2.4651 -2.4651 0.3625 0.3625 0.4283 0.4283 1.2482 1.2482 2.2207 2.2207 2.2493 2.2493 2.3448 2.3448 2.9560 2.9560 4.6521 4.6521 4.7462 4.7462 4.7685 4.7685 4.8093 4.8093 5.1943 5.1943 5.2147 5.2147 5.8045 5.8045 5.8481 5.8481 5.8666 5.8666 11.4123 11.4123 11.4461 11.4461 13.8671 13.8671 13.8792 13.8792 14.2189 14.2189 14.4681 14.4681 k = 0.3333 0.5774 0.4748 ( 3780 PWs) bands (ev): -31.1988 -31.1988 -13.5660 -13.5660 -13.5607 -13.5607 -12.7548 -12.7548 -12.4867 -12.4867 -12.3650 -12.3650 -11.4790 -11.4790 -10.6586 -10.6586 -10.6241 -10.6241 -10.0500 -10.0500 -2.5393 -2.5393 -2.5272 -2.5272 0.3815 0.3815 0.4107 0.4107 1.2464 1.2464 2.2534 2.2534 2.2547 2.2547 2.3086 2.3086 2.9527 2.9527 4.6542 4.6542 4.7586 4.7586 4.7646 4.7646 4.8013 4.8013 5.2014 5.2014 5.2076 5.2076 5.8050 5.8050 5.8531 5.8531 5.8616 5.8616 11.4276 11.4276 11.4304 11.4304 13.8683 13.8683 13.8792 13.8792 14.2194 14.2194 14.4654 14.4654 k = 0.3333 0.5774 0.4748 ( 3780 PWs) bands (ev): -31.1988 -31.1988 -13.5660 -13.5660 -13.5607 -13.5607 -12.7548 -12.7548 -12.4867 -12.4867 -12.3650 -12.3650 -11.4790 -11.4790 -10.6586 -10.6586 -10.6241 -10.6241 -10.0500 -10.0500 -2.5393 -2.5393 -2.5272 -2.5272 0.3815 0.3815 0.4107 0.4107 1.2464 1.2464 2.2534 2.2534 2.2547 2.2547 2.3086 2.3086 2.9527 2.9527 4.6542 4.6542 4.7586 4.7586 4.7646 4.7646 4.8013 4.8013 5.2014 5.2014 5.2076 5.2076 5.8050 5.8050 5.8531 5.8531 5.8616 5.8616 11.4276 11.4276 11.4304 11.4304 13.8683 13.8683 13.8792 13.8792 14.2194 14.2194 14.4654 14.4654 k = 0.3258 0.5642 0.4748 ( 3780 PWs) bands (ev): -31.1988 -31.1988 -13.6023 -13.6023 -13.5249 -13.5249 -12.7538 -12.7538 -12.4864 -12.4864 -12.3645 -12.3645 -11.4794 -11.4794 -10.6626 -10.6626 -10.6208 -10.6208 -10.0497 -10.0497 -2.6030 -2.6030 -2.4637 -2.4637 0.3631 0.3631 0.4277 0.4277 1.2483 1.2483 2.2032 2.2032 2.2833 2.2833 2.3282 2.3282 2.9563 2.9563 4.6520 4.6520 4.7536 4.7536 4.7597 4.7597 4.8110 4.8110 5.1945 5.1945 5.2143 5.2143 5.8045 5.8045 5.8489 5.8489 5.8658 5.8658 11.4116 11.4116 11.4469 11.4469 13.8665 13.8665 13.8796 13.8796 14.2189 14.2189 14.4681 14.4681 k = 0.3182 0.5511 0.4748 ( 3784 PWs) bands (ev): -31.1988 -31.1988 -13.6433 -13.6433 -13.4854 -13.4854 -12.7510 -12.7510 -12.4853 -12.4853 -12.3628 -12.3628 -11.4804 -11.4804 -10.6728 -10.6728 -10.6127 -10.6127 -10.0490 -10.0490 -2.6737 -2.6737 -2.3934 -2.3934 0.3344 0.3344 0.4518 0.4518 1.2540 1.2540 2.1431 2.1431 2.3079 2.3079 2.3572 2.3572 2.9676 2.9676 4.6452 4.6452 4.7408 4.7408 4.7533 4.7533 4.8295 4.8295 5.1855 5.1855 5.2226 5.2226 5.8033 5.8033 5.8434 5.8434 5.8714 5.8714 11.3940 11.3940 11.4657 11.4657 13.8614 13.8614 13.8805 13.8805 14.2175 14.2175 14.4762 14.4762 k = 0.3106 0.5380 0.4748 ( 3780 PWs) bands (ev): -31.1988 -31.1988 -13.6861 -13.6861 -13.4448 -13.4448 -12.7465 -12.7465 -12.4837 -12.4837 -12.3601 -12.3601 -11.4820 -11.4820 -10.6868 -10.6868 -10.6024 -10.6024 -10.0478 -10.0478 -2.7459 -2.7459 -2.3222 -2.3222 0.3040 0.3040 0.4744 0.4744 1.2637 1.2637 2.0829 2.0829 2.3280 2.3280 2.3863 2.3863 2.9870 2.9870 4.6338 4.6338 4.7233 4.7233 4.7508 4.7508 4.8491 4.8491 5.1764 5.1764 5.2300 5.2300 5.8013 5.8013 5.8390 5.8390 5.8760 5.8760 11.3762 11.3762 11.4855 11.4855 13.8539 13.8539 13.8808 13.8808 14.2154 14.2154 14.4892 14.4892 k = 0.3030 0.5249 0.4748 ( 3774 PWs) bands (ev): -31.1988 -31.1988 -13.7304 -13.7304 -13.4030 -13.4030 -12.7406 -12.7406 -12.4813 -12.4813 -12.3562 -12.3562 -11.4841 -11.4841 -10.7033 -10.7033 -10.5909 -10.5909 -10.0462 -10.0462 -2.8194 -2.8194 -2.2503 -2.2503 0.2726 0.2726 0.4945 0.4945 1.2771 1.2771 2.0237 2.0237 2.3438 2.3438 2.4141 2.4141 3.0147 3.0147 4.6181 4.6181 4.7044 4.7044 4.7503 4.7503 4.8680 4.8680 5.1675 5.1675 5.2361 5.2361 5.7988 5.7988 5.8361 5.8361 5.8792 5.8792 11.3584 11.3584 11.5062 11.5062 13.8450 13.8450 13.8797 13.8797 14.2127 14.2127 14.5064 14.5064 k = 0.2955 0.5117 0.4748 ( 3778 PWs) bands (ev): -31.1988 -31.1988 -13.7758 -13.7758 -13.3603 -13.3603 -12.7337 -12.7337 -12.4783 -12.4783 -12.3513 -12.3513 -11.4865 -11.4865 -10.7219 -10.7219 -10.5788 -10.5788 -10.0445 -10.0445 -2.8941 -2.8941 -2.1779 -2.1779 0.2405 0.2405 0.5120 0.5120 1.2939 1.2939 1.9659 1.9659 2.3565 2.3565 2.4397 2.4397 3.0502 3.0502 4.5988 4.5988 4.6851 4.6851 4.7512 4.7512 4.8858 4.8858 5.1589 5.1589 5.2407 5.2407 5.7957 5.7957 5.8348 5.8348 5.8807 5.8807 11.3406 11.3406 11.5278 11.5278 13.8351 13.8351 13.8769 13.8769 14.2095 14.2095 14.5267 14.5267 k = 0.2879 0.4986 0.4748 ( 3774 PWs) bands (ev): -31.1988 -31.1988 -13.8220 -13.8220 -13.3169 -13.3169 -12.7258 -12.7258 -12.4745 -12.4745 -12.3452 -12.3452 -11.4891 -11.4891 -10.7422 -10.7422 -10.5662 -10.5662 -10.0427 -10.0427 -2.9699 -2.9699 -2.1052 -2.1052 0.2077 0.2077 0.5269 0.5269 1.3135 1.3135 1.9096 1.9096 2.3671 2.3671 2.4625 2.4625 3.0929 3.0929 4.5763 4.5763 4.6654 4.6654 4.7535 4.7535 4.9023 4.9023 5.1507 5.1507 5.2434 5.2434 5.7921 5.7921 5.8352 5.8352 5.8807 5.8807 11.3229 11.3229 11.5500 11.5500 13.8248 13.8248 13.8726 13.8726 14.2061 14.2061 14.5492 14.5492 k = 0.2803 0.4855 0.4748 ( 3778 PWs) bands (ev): -31.1988 -31.1988 -13.8688 -13.8688 -13.2727 -13.2727 -12.7173 -12.7173 -12.4699 -12.4699 -12.3380 -12.3380 -11.4920 -11.4920 -10.7640 -10.7640 -10.5533 -10.5533 -10.0408 -10.0408 -3.0467 -3.0467 -2.0325 -2.0325 0.1745 0.1745 0.5396 0.5396 1.3352 1.3352 1.8549 1.8549 2.3770 2.3770 2.4823 2.4823 3.1421 3.1421 4.5512 4.5512 4.6457 4.6457 4.7570 4.7570 4.9175 4.9175 5.1430 5.1430 5.2441 5.2441 5.7881 5.7881 5.8371 5.8371 5.8790 5.8790 11.3054 11.3054 11.5728 11.5728 13.8144 13.8144 13.8667 13.8667 14.2025 14.2025 14.5728 14.5728 k = 0.2727 0.4724 0.4748 ( 3782 PWs) bands (ev): -31.1989 -31.1989 -13.9159 -13.9159 -13.2281 -13.2281 -12.7083 -12.7083 -12.4645 -12.4645 -12.3297 -12.3297 -11.4949 -11.4949 -10.7871 -10.7871 -10.5402 -10.5402 -10.0391 -10.0391 -3.1246 -3.1246 -1.9599 -1.9599 0.1409 0.1409 0.5503 0.5503 1.3580 1.3580 1.8019 1.8019 2.3877 2.3877 2.4985 2.4985 3.1967 3.1967 4.5241 4.5241 4.6259 4.6259 4.7617 4.7617 4.9313 4.9313 5.1359 5.1359 5.2425 5.2425 5.7838 5.7838 5.8403 5.8403 5.8756 5.8756 11.2881 11.2881 11.5960 11.5960 13.8041 13.8041 13.8595 13.8595 14.1986 14.1986 14.5971 14.5971 k = 0.2652 0.4593 0.4748 ( 3782 PWs) bands (ev): -31.1989 -31.1989 -13.9630 -13.9630 -13.1832 -13.1832 -12.6990 -12.6990 -12.4580 -12.4580 -12.3201 -12.3201 -11.4979 -11.4979 -10.8114 -10.8114 -10.5268 -10.5268 -10.0377 -10.0377 -3.2033 -3.2033 -1.8877 -1.8877 0.1071 0.1071 0.5594 0.5594 1.3809 1.3809 1.7507 1.7507 2.4005 2.4005 2.5108 2.5108 3.2560 3.2560 4.4958 4.4958 4.6062 4.6062 4.7674 4.7674 4.9438 4.9438 5.1296 5.1296 5.2386 5.2386 5.7791 5.7791 5.8448 5.8448 5.8707 5.8707 11.2712 11.2712 11.6195 11.6195 13.7942 13.7942 13.8513 13.8513 14.1946 14.1946 14.6215 14.6215 k = 0.2576 0.4461 0.4748 ( 3782 PWs) bands (ev): -31.1989 -31.1989 -14.0101 -14.0101 -13.1383 -13.1383 -12.6894 -12.6894 -12.4506 -12.4506 -12.3092 -12.3092 -11.5007 -11.5007 -10.8368 -10.8368 -10.5133 -10.5133 -10.0366 -10.0366 -3.2828 -3.2828 -1.8158 -1.8158 0.0734 0.0734 0.5673 0.5673 1.4029 1.4029 1.7013 1.7013 2.4167 2.4167 2.5188 2.5188 3.3193 3.3193 4.4668 4.4668 4.5867 4.5867 4.7743 4.7743 4.9548 4.9548 5.1241 5.1241 5.2322 5.2322 5.7740 5.7740 5.8500 5.8500 5.8647 5.8647 11.2547 11.2547 11.6432 11.6432 13.7848 13.7848 13.8423 13.8423 14.1906 14.1906 14.6458 14.6458 k = 0.2500 0.4330 0.4748 ( 3790 PWs) bands (ev): -31.1989 -31.1989 -14.0569 -14.0569 -13.0937 -13.0937 -12.6797 -12.6797 -12.4422 -12.4422 -12.2970 -12.2970 -11.5034 -11.5034 -10.8631 -10.8631 -10.4997 -10.4997 -10.0359 -10.0359 -3.3631 -3.3631 -1.7446 -1.7446 0.0397 0.0397 0.5743 0.5743 1.4230 1.4230 1.6536 1.6536 2.4371 2.4371 2.5225 2.5225 3.3859 3.3859 4.4379 4.4379 4.5674 4.5674 4.7823 4.7823 4.9644 4.9644 5.1194 5.1194 5.2232 5.2232 5.7685 5.7685 5.8523 5.8523 5.8610 5.8610 11.2386 11.2386 11.6669 11.6669 13.7759 13.7759 13.8328 13.8328 14.1864 14.1864 14.6694 14.6694 k = 0.2424 0.4199 0.4748 ( 3786 PWs) bands (ev): -31.1989 -31.1989 -14.1033 -14.1033 -13.0497 -13.0497 -12.6697 -12.6697 -12.4327 -12.4327 -12.2834 -12.2834 -11.5059 -11.5059 -10.8901 -10.8901 -10.4860 -10.4860 -10.0358 -10.0358 -3.4440 -3.4440 -1.6742 -1.6742 0.0065 0.0065 0.5809 0.5809 1.4403 1.4403 1.6078 1.6078 2.4620 2.4620 2.5221 2.5221 3.4551 3.4551 4.4097 4.4097 4.5484 4.5484 4.7913 4.7913 4.9726 4.9726 5.1157 5.1157 5.2117 5.2117 5.7624 5.7624 5.8455 5.8455 5.8661 5.8661 11.2228 11.2228 11.6904 11.6904 13.7676 13.7676 13.8229 13.8229 14.1823 14.1823 14.6921 14.6921 k = 0.2348 0.4068 0.4748 ( 3784 PWs) bands (ev): -31.1989 -31.1989 -14.1492 -14.1492 -13.0068 -13.0068 -12.6595 -12.6595 -12.4222 -12.4222 -12.2683 -12.2683 -11.5081 -11.5081 -10.9178 -10.9178 -10.4724 -10.4724 -10.0362 -10.0362 -3.5255 -3.5255 -1.6046 -1.6046 -0.0262 -0.0262 0.5873 0.5873 1.4540 1.4540 1.5638 1.5638 2.4874 2.4874 2.5218 2.5218 3.5264 3.5264 4.3829 4.3829 4.5298 4.5298 4.8012 4.8012 4.9792 4.9792 5.1131 5.1131 5.1977 5.1977 5.7554 5.7554 5.8362 5.8362 5.8735 5.8735 11.2076 11.2076 11.7135 11.7135 13.7596 13.7596 13.8129 13.8129 14.1782 14.1782 14.7133 14.7133 k = 0.2273 0.3936 0.4748 ( 3776 PWs) bands (ev): -31.1990 -31.1990 -14.1943 -14.1943 -12.9653 -12.9653 -12.6488 -12.6488 -12.4105 -12.4105 -12.2515 -12.2515 -11.5099 -11.5099 -10.9459 -10.9459 -10.4588 -10.4588 -10.0374 -10.0374 -3.6075 -3.6075 -1.5360 -1.5360 -0.0582 -0.0582 0.5937 0.5937 1.4636 1.4636 1.5219 1.5219 2.4912 2.4912 2.5440 2.5440 3.5992 3.5992 4.3581 4.3581 4.5118 4.5118 4.8119 4.8119 4.9843 4.9843 5.1114 5.1114 5.1812 5.1812 5.7470 5.7470 5.8266 5.8266 5.8816 5.8816 11.1928 11.1928 11.7363 11.7363 13.7519 13.7519 13.8029 13.8029 14.1741 14.1741 14.7327 14.7327 k = 0.2197 0.3805 0.4748 ( 3780 PWs) bands (ev): -31.1990 -31.1990 -14.2388 -14.2388 -12.9260 -12.9260 -12.6376 -12.6376 -12.3978 -12.3978 -12.2330 -12.2330 -11.5113 -11.5113 -10.9745 -10.9745 -10.4453 -10.4453 -10.0392 -10.0392 -3.6898 -3.6898 -1.4685 -1.4685 -0.0891 -0.0891 0.6004 0.6004 1.4661 1.4661 1.4847 1.4847 2.4758 2.4758 2.5861 2.5861 3.6731 3.6731 4.3359 4.3359 4.4946 4.4946 4.8232 4.8232 4.9876 4.9876 5.1109 5.1109 5.1624 5.1624 5.7366 5.7366 5.8176 5.8176 5.8898 5.8898 11.1783 11.1783 11.7584 11.7584 13.7444 13.7444 13.7930 13.7930 14.1701 14.1701 14.7494 14.7494 k = 0.2121 0.3674 0.4748 ( 3776 PWs) bands (ev): -31.1990 -31.1990 -14.2823 -14.2823 -12.8892 -12.8892 -12.6255 -12.6255 -12.3840 -12.3840 -12.2125 -12.2125 -11.5122 -11.5122 -11.0032 -11.0032 -10.4320 -10.4320 -10.0418 -10.0418 -3.7723 -3.7723 -1.4023 -1.4023 -0.1189 -0.1189 0.6075 0.6075 1.4388 1.4388 1.4751 1.4751 2.4525 2.4525 2.6366 2.6366 3.7473 3.7473 4.3167 4.3167 4.4783 4.4783 4.8349 4.8349 4.9892 4.9892 5.1117 5.1117 5.1416 5.1416 5.7237 5.7237 5.8100 5.8100 5.8981 5.8981 11.1642 11.1642 11.7799 11.7799 13.7370 13.7370 13.7832 13.7832 14.1663 14.1663 14.7629 14.7629 k = 0.2045 0.3543 0.4748 ( 3780 PWs) bands (ev): -31.1990 -31.1990 -14.3249 -14.3249 -12.8557 -12.8557 -12.6126 -12.6126 -12.3691 -12.3691 -12.1901 -12.1901 -11.5126 -11.5126 -11.0322 -11.0322 -10.4189 -10.4189 -10.0452 -10.0452 -3.8550 -3.8550 -1.3372 -1.3372 -0.1474 -0.1474 0.6153 0.6153 1.4023 1.4023 1.4727 1.4727 2.4229 2.4229 2.6933 2.6933 3.8212 3.8212 4.3007 4.3007 4.4636 4.4636 4.8466 4.8466 4.9888 4.9888 5.1137 5.1137 5.1193 5.1193 5.7078 5.7078 5.8042 5.8042 5.9063 5.9063 11.1503 11.1503 11.8005 11.8005 13.7295 13.7295 13.7737 13.7737 14.1626 14.1626 14.7721 14.7721 k = 0.1970 0.3412 0.4748 ( 3772 PWs) bands (ev): -31.1991 -31.1991 -14.3664 -14.3664 -12.8257 -12.8257 -12.5985 -12.5985 -12.3531 -12.3531 -12.1655 -12.1655 -11.5123 -11.5123 -11.0611 -11.0611 -10.4060 -10.4060 -10.0495 -10.0495 -3.9376 -3.9376 -1.2735 -1.2735 -0.1743 -0.1743 0.6236 0.6236 1.3666 1.3666 1.4677 1.4677 2.3877 2.3877 2.7555 2.7555 3.8938 3.8938 4.2883 4.2883 4.4510 4.4510 4.8581 4.8581 4.9860 4.9860 5.0955 5.0955 5.1179 5.1179 5.6891 5.6891 5.8005 5.8005 5.9143 5.9143 11.1366 11.1366 11.8203 11.8203 13.7219 13.7219 13.7645 13.7645 14.1590 14.1590 14.7763 14.7763 k = 0.1894 0.3280 0.4748 ( 3768 PWs) bands (ev): -31.1991 -31.1991 -14.4068 -14.4068 -12.7996 -12.7996 -12.5836 -12.5836 -12.3361 -12.3361 -12.1385 -12.1385 -11.5114 -11.5114 -11.0900 -11.0900 -10.3935 -10.3935 -10.0545 -10.0545 -4.0200 -4.0200 -1.2112 -1.2112 -0.1995 -0.1995 0.6328 0.6328 1.3324 1.3324 1.4600 1.4600 2.3472 2.3472 2.8223 2.8223 3.9637 3.9637 4.2794 4.2794 4.4417 4.4417 4.8689 4.8689 4.9802 4.9802 5.0716 5.0716 5.1235 5.1235 5.6677 5.6677 5.7986 5.7986 5.9219 5.9219 11.1230 11.1230 11.8390 11.8390 13.7141 13.7141 13.7554 13.7554 14.1556 14.1556 14.7745 14.7745 k = 0.1818 0.3149 0.4748 ( 3764 PWs) bands (ev): -31.1991 -31.1991 -14.4461 -14.4461 -12.7774 -12.7774 -12.5681 -12.5681 -12.3183 -12.3183 -12.1090 -12.1090 -11.5098 -11.5098 -11.1186 -11.1186 -10.3814 -10.3814 -10.0604 -10.0604 -4.1021 -4.1021 -1.1504 -1.1504 -0.2228 -0.2228 0.6426 0.6426 1.2996 1.2996 1.4499 1.4499 2.3019 2.3019 2.8929 2.8929 4.0288 4.0288 4.2741 4.2741 4.4375 4.4375 4.8788 4.8788 4.9703 4.9703 5.0488 5.0488 5.1312 5.1312 5.6440 5.6440 5.7985 5.7985 5.9291 5.9291 11.1094 11.1094 11.8567 11.8567 13.7062 13.7062 13.7466 13.7466 14.1523 14.1523 14.7657 14.7657 k = 0.1742 0.3018 0.4748 ( 3768 PWs) bands (ev): -31.1991 -31.1991 -14.4841 -14.4841 -12.7586 -12.7586 -12.5523 -12.5523 -12.2998 -12.2998 -12.0769 -12.0769 -11.5075 -11.5075 -11.1469 -11.1469 -10.3696 -10.3696 -10.0670 -10.0670 -4.1837 -4.1837 -1.0911 -1.0911 -0.2441 -0.2441 0.6533 0.6533 1.2682 1.2682 1.4378 1.4378 2.2522 2.2522 2.9668 2.9668 4.0859 4.0859 4.2722 4.2722 4.4413 4.4413 4.8872 4.8872 4.9551 4.9551 5.0285 5.0285 5.1410 5.1410 5.6183 5.6183 5.8000 5.8000 5.9358 5.9358 11.0956 11.0956 11.8732 11.8732 13.6981 13.6981 13.7380 13.7380 14.1489 14.1489 14.7494 14.7494 k = 0.1667 0.2887 0.4748 ( 3766 PWs) bands (ev): -31.1992 -31.1992 -14.5208 -14.5208 -12.7430 -12.7430 -12.5368 -12.5368 -12.2811 -12.2811 -12.0422 -12.0422 -11.5044 -11.5044 -11.1748 -11.1748 -10.3584 -10.3584 -10.0745 -10.0745 -4.2645 -4.2645 -1.0333 -1.0333 -0.2634 -0.2634 0.6648 0.6648 1.2383 1.2383 1.4240 1.4240 2.1986 2.1986 3.0433 3.0433 4.1310 4.1310 4.2736 4.2736 4.4568 4.4568 4.8941 4.8941 4.9343 4.9343 5.0116 5.0116 5.1531 5.1531 5.5907 5.5907 5.8029 5.8029 5.9419 5.9419 11.0815 11.0815 11.8886 11.8886 13.6899 13.6899 13.7296 13.7296 14.1454 14.1454 14.7254 14.7254 k = 0.1591 0.2756 0.4748 ( 3762 PWs) bands (ev): -31.1992 -31.1992 -14.5562 -14.5562 -12.7298 -12.7298 -12.5219 -12.5219 -12.2623 -12.2623 -12.0051 -12.0051 -11.5006 -11.5006 -11.2021 -11.2021 -10.3476 -10.3476 -10.0827 -10.0827 -4.3444 -4.3444 -0.9771 -0.9771 -0.2804 -0.2804 0.6770 0.6770 1.2098 1.2098 1.4090 1.4090 2.1417 2.1417 3.1217 3.1217 4.1611 4.1611 4.2779 4.2779 4.4869 4.4869 4.8991 4.8991 4.9090 4.9090 4.9974 4.9974 5.1674 5.1674 5.5616 5.5616 5.8071 5.8071 5.9473 5.9473 11.0671 11.0671 11.9029 11.9029 13.6817 13.6817 13.7213 13.7213 14.1416 14.1416 14.6939 14.6939 k = 0.1515 0.2624 0.4748 ( 3754 PWs) bands (ev): -31.1992 -31.1992 -14.5902 -14.5902 -12.7187 -12.7187 -12.5079 -12.5079 -12.2438 -12.2438 -11.9657 -11.9657 -11.4962 -11.4962 -11.2286 -11.2286 -10.3375 -10.3375 -10.0916 -10.0916 -4.4231 -4.4231 -0.9226 -0.9226 -0.2952 -0.2952 0.6899 0.6899 1.1828 1.1828 1.3929 1.3929 2.0822 2.0822 3.2015 3.2015 4.1764 4.1764 4.2850 4.2850 4.5307 4.5307 4.8804 4.8804 4.9028 4.9028 4.9846 4.9846 5.1838 5.1838 5.5311 5.5311 5.8125 5.8125 5.9521 5.9521 11.0523 11.0523 11.9159 11.9159 13.6735 13.6735 13.7134 13.7134 14.1373 14.1373 14.6559 14.6559 k = 0.1439 0.2493 0.4748 ( 3754 PWs) bands (ev): -31.1992 -31.1992 -14.6228 -14.6228 -12.7091 -12.7091 -12.4950 -12.4950 -12.2259 -12.2259 -11.9243 -11.9243 -11.4912 -11.4912 -11.2542 -11.2542 -10.3280 -10.3280 -10.1012 -10.1012 -4.5004 -4.5004 -0.8698 -0.8698 -0.3077 -0.3077 0.7035 0.7035 1.1571 1.1571 1.3760 1.3760 2.0204 2.0204 3.2820 3.2820 4.1806 4.1806 4.2944 4.2944 4.5838 4.5838 4.8517 4.8517 4.9043 4.9043 4.9723 4.9723 5.2021 5.2021 5.4992 5.4992 5.8190 5.8190 5.9561 5.9561 11.0370 11.0370 11.9278 11.9278 13.6654 13.6654 13.7056 13.7056 14.1321 14.1321 14.6127 14.6127 k = 0.1364 0.2362 0.4748 ( 3750 PWs) bands (ev): -31.1993 -31.1993 -14.6539 -14.6539 -12.7008 -12.7008 -12.4831 -12.4831 -12.2089 -12.2089 -11.8813 -11.8813 -11.4858 -11.4858 -11.2786 -11.2786 -10.3191 -10.3191 -10.1113 -10.1113 -4.5762 -4.5762 -0.8187 -0.8187 -0.3178 -0.3178 0.7175 0.7175 1.1328 1.1328 1.3587 1.3587 1.9571 1.9571 3.3628 3.3628 4.1776 4.1776 4.3059 4.3059 4.6400 4.6400 4.8250 4.8250 4.9042 4.9042 4.9602 4.9602 5.2220 5.2220 5.4662 5.4662 5.8265 5.8265 5.9593 5.9593 11.0210 11.0210 11.9385 11.9385 13.6575 13.6575 13.6982 13.6982 14.1257 14.1257 14.5659 14.5659 k = 0.1288 0.2231 0.4748 ( 3742 PWs) bands (ev): -31.1993 -31.1993 -14.6835 -14.6835 -12.6934 -12.6934 -12.4722 -12.4722 -12.1927 -12.1927 -11.8372 -11.8372 -11.4804 -11.4804 -11.3015 -11.3015 -10.3109 -10.3109 -10.1220 -10.1220 -4.6500 -4.6500 -0.7695 -0.7695 -0.3257 -0.3257 0.7321 0.7321 1.1099 1.1099 1.3410 1.3410 1.8927 1.8927 3.4433 3.4433 4.1704 4.1704 4.3193 4.3193 4.6887 4.6887 4.8085 4.8085 4.9026 4.9026 4.9482 4.9482 5.2431 5.2431 5.4322 5.4322 5.8349 5.8349 5.9617 5.9617 11.0045 11.0045 11.9480 11.9480 13.6499 13.6499 13.6911 13.6911 14.1176 14.1176 14.5173 14.5173 k = 0.1212 0.2099 0.4748 ( 3742 PWs) bands (ev): -31.1993 -31.1993 -14.7116 -14.7116 -12.6869 -12.6869 -12.4622 -12.4622 -12.1777 -12.1777 -11.7924 -11.7924 -11.4754 -11.4754 -11.3223 -11.3223 -10.3035 -10.3035 -10.1331 -10.1331 -4.7217 -4.7217 -0.7222 -0.7222 -0.3313 -0.3313 0.7470 0.7470 1.0884 1.0884 1.3232 1.3232 1.8278 1.8278 3.5230 3.5230 4.1609 4.1609 4.3343 4.3343 4.7058 4.7058 4.8233 4.8233 4.8996 4.8996 4.9376 4.9376 5.2653 5.2653 5.3971 5.3971 5.8438 5.8438 5.9633 5.9633 10.9874 10.9874 11.9565 11.9565 13.6426 13.6426 13.6844 13.6844 14.1070 14.1070 14.4690 14.4690 k = 0.1136 0.1968 0.4748 ( 3742 PWs) bands (ev): -31.1994 -31.1994 -14.7381 -14.7381 -12.6809 -12.6809 -12.4531 -12.4531 -12.1638 -12.1638 -11.7474 -11.7474 -11.4716 -11.4716 -11.3402 -11.3402 -10.2968 -10.2968 -10.1446 -10.1446 -4.7911 -4.7911 -0.6768 -0.6768 -0.3346 -0.3346 0.7621 0.7621 1.0683 1.0683 1.3053 1.3053 1.7630 1.7630 3.6011 3.6011 4.1507 4.1507 4.3506 4.3506 4.6904 4.6904 4.8643 4.8643 4.8954 4.8954 4.9337 4.9337 5.2882 5.2882 5.3611 5.3611 5.8532 5.8532 5.9641 5.9641 10.9698 10.9698 11.9640 11.9640 13.6357 13.6357 13.6781 13.6781 14.0930 14.0930 14.4229 14.4229 k = 0.1061 0.1837 0.4748 ( 3738 PWs) bands (ev): -31.1994 -31.1994 -14.7630 -14.7630 -12.6755 -12.6755 -12.4449 -12.4449 -12.1510 -12.1510 -11.7027 -11.7027 -11.4701 -11.4701 -11.3541 -11.3541 -10.2908 -10.2908 -10.1563 -10.1563 -4.8577 -4.8577 -0.6335 -0.6335 -0.3359 -0.3359 0.7772 0.7772 1.0497 1.0497 1.2876 1.2876 1.6987 1.6987 3.6770 3.6770 4.1408 4.1408 4.3681 4.3681 4.6646 4.6646 4.8846 4.8846 4.8904 4.8904 4.9604 4.9604 5.3112 5.3112 5.3244 5.3244 5.8629 5.8629 5.9642 5.9642 10.9518 10.9518 11.9705 11.9705 13.6292 13.6292 13.6723 13.6723 14.0748 14.0748 14.3811 14.3811 k = 0.0985 0.1706 0.4748 ( 3744 PWs) bands (ev): -31.1994 -31.1994 -14.7863 -14.7863 -12.6705 -12.6705 -12.4373 -12.4373 -12.1394 -12.1394 -11.6587 -11.6587 -11.4722 -11.4722 -11.3629 -11.3629 -10.2857 -10.2857 -10.1681 -10.1681 -4.9213 -4.9213 -0.5924 -0.5924 -0.3351 -0.3351 0.7923 0.7923 1.0324 1.0324 1.2702 1.2702 1.6355 1.6355 3.7495 3.7495 4.1326 4.1326 4.3864 4.3864 4.6364 4.6364 4.8792 4.8792 4.8837 4.8837 5.0152 5.0152 5.2863 5.2863 5.3350 5.3350 5.8725 5.8725 5.9634 5.9634 10.9334 10.9334 11.9761 11.9761 13.6231 13.6231 13.6669 13.6669 14.0516 14.0516 14.3451 14.3451 k = 0.0909 0.1575 0.4748 ( 3734 PWs) bands (ev): -31.1994 -31.1994 -14.8080 -14.8080 -12.6659 -12.6659 -12.4303 -12.4303 -12.1288 -12.1288 -11.6160 -11.6160 -11.4783 -11.4783 -11.3659 -11.3659 -10.2813 -10.2813 -10.1799 -10.1799 -4.9818 -4.9818 -0.5536 -0.5536 -0.3326 -0.3326 0.8072 0.8072 1.0166 1.0166 1.2532 1.2532 1.5739 1.5739 3.8168 3.8168 4.1280 4.1280 4.4053 4.4053 4.6083 4.6083 4.8683 4.8683 4.8759 4.8759 5.0752 5.0752 5.2481 5.2481 5.3583 5.3583 5.8819 5.8819 5.9620 5.9620 10.9149 10.9149 11.9809 11.9809 13.6176 13.6176 13.6621 13.6621 14.0236 14.0236 14.3158 14.3158 k = 0.0833 0.1443 0.4748 ( 3728 PWs) bands (ev): -31.1995 -31.1995 -14.8280 -14.8280 -12.6617 -12.6617 -12.4240 -12.4240 -12.1193 -12.1193 -11.5749 -11.5749 -11.4879 -11.4879 -11.3639 -11.3639 -10.2777 -10.2777 -10.1916 -10.1916 -5.0386 -5.0386 -0.5171 -0.5171 -0.3284 -0.3284 0.8216 0.8216 1.0023 1.0023 1.2367 1.2367 1.5144 1.5144 3.8757 3.8757 4.1303 4.1303 4.4247 4.4247 4.5810 4.5810 4.8560 4.8560 4.8675 4.8675 5.1335 5.1335 5.2104 5.2104 5.3812 5.3812 5.8909 5.8909 5.9598 5.9598 10.8965 10.8965 11.9849 11.9849 13.6124 13.6124 13.6578 13.6578 13.9914 13.9914 14.2931 14.2931 k = 0.0758 0.1312 0.4748 ( 3730 PWs) bands (ev): -31.1995 -31.1995 -14.8463 -14.8463 -12.6579 -12.6579 -12.4183 -12.4183 -12.1109 -12.1109 -11.5362 -11.5362 -11.4993 -11.4993 -11.3584 -11.3584 -10.2748 -10.2748 -10.2030 -10.2030 -5.0917 -5.0917 -0.4831 -0.4831 -0.3229 -0.3229 0.8354 0.8354 0.9896 0.9896 1.2208 1.2208 1.4576 1.4576 3.9215 3.9215 4.1442 4.1442 4.4442 4.4442 4.5550 4.5550 4.8437 4.8437 4.8584 4.8584 5.1595 5.1595 5.2023 5.2023 5.4035 5.4035 5.8990 5.8990 5.9571 5.9571 10.8783 10.8783 11.9882 11.9882 13.6077 13.6077 13.6539 13.6539 13.9568 13.9568 14.2759 14.2759 k = 0.0682 0.1181 0.4748 ( 3738 PWs) bands (ev): -31.1995 -31.1995 -14.8629 -14.8629 -12.6544 -12.6544 -12.4131 -12.4131 -12.1035 -12.1035 -11.5132 -11.5132 -11.4983 -11.4983 -11.3506 -11.3506 -10.2726 -10.2726 -10.2139 -10.2139 -5.1407 -5.1407 -0.4518 -0.4518 -0.3163 -0.3163 0.8483 0.8483 0.9785 0.9785 1.2055 1.2055 1.4039 1.4039 3.9502 3.9502 4.1737 4.1737 4.4635 4.4635 4.5309 4.5309 4.8317 4.8317 4.8486 4.8486 5.1232 5.1232 5.2530 5.2530 5.4249 5.4249 5.9062 5.9062 5.9539 5.9539 10.8607 10.8607 11.9909 11.9909 13.6032 13.6032 13.6505 13.6505 13.9214 13.9214 14.2631 14.2631 k = 0.0606 0.1050 0.4748 ( 3726 PWs) bands (ev): -31.1995 -31.1995 -14.8779 -14.8779 -12.6512 -12.6512 -12.4084 -12.4084 -12.0969 -12.0969 -11.5247 -11.5247 -11.4659 -11.4659 -11.3413 -11.3413 -10.2710 -10.2710 -10.2243 -10.2243 -5.1854 -5.1854 -0.4233 -0.4233 -0.3088 -0.3088 0.8602 0.8602 0.9691 0.9691 1.1910 1.1910 1.3539 1.3539 3.9635 3.9635 4.2173 4.2173 4.4821 4.4821 4.5094 4.5094 4.8205 4.8205 4.8384 4.8384 5.0820 5.0820 5.3045 5.3045 5.4453 5.4453 5.9122 5.9122 5.9505 5.9505 10.8439 10.8439 11.9932 11.9932 13.5991 13.5991 13.6476 13.6476 13.8870 13.8870 14.2536 14.2536 k = 0.0530 0.0919 0.4748 ( 3726 PWs) bands (ev): -31.1995 -31.1995 -14.8910 -14.8910 -12.6484 -12.6484 -12.4043 -12.4043 -12.0913 -12.0913 -11.5363 -11.5363 -11.4364 -11.4364 -11.3312 -11.3312 -10.2699 -10.2699 -10.2339 -10.2339 -5.2254 -5.2254 -0.3977 -0.3977 -0.3010 -0.3010 0.8707 0.8707 0.9616 0.9616 1.1773 1.1773 1.3084 1.3084 3.9670 3.9670 4.2693 4.2693 4.4857 4.4857 4.5044 4.5044 4.8101 4.8101 4.8278 4.8278 5.0395 5.0395 5.3524 5.3524 5.4643 5.4643 5.9169 5.9169 5.9469 5.9469 10.8283 10.8283 11.9949 11.9949 13.5951 13.5951 13.6451 13.6451 13.8548 13.8548 14.2465 14.2465 k = 0.0455 0.0787 0.4748 ( 3722 PWs) bands (ev): -31.1995 -31.1995 -14.9025 -14.9025 -12.6460 -12.6460 -12.4007 -12.4007 -12.0865 -12.0865 -11.5468 -11.5468 -11.4108 -11.4108 -11.3207 -11.3207 -10.2693 -10.2693 -10.2426 -10.2426 -5.2607 -5.2607 -0.3751 -0.3751 -0.2930 -0.2930 0.8795 0.8795 0.9560 0.9560 1.1643 1.1643 1.2679 1.2679 3.9656 3.9656 4.3248 4.3248 4.4694 4.4694 4.5210 4.5210 4.8008 4.8008 4.8172 4.8172 4.9963 4.9963 5.3958 5.3958 5.4819 5.4819 5.9200 5.9200 5.9434 5.9434 10.8140 10.8140 11.9963 11.9963 13.5913 13.5913 13.6430 13.6430 13.8258 13.8258 14.2412 14.2412 k = 0.0379 0.0656 0.4748 ( 3726 PWs) bands (ev): -31.1996 -31.1996 -14.9122 -14.9122 -12.6439 -12.6439 -12.3976 -12.3976 -12.0825 -12.0825 -11.5561 -11.5561 -11.3898 -11.3898 -11.3100 -11.3100 -10.2690 -10.2690 -10.2502 -10.2502 -5.2909 -5.2909 -0.3558 -0.3558 -0.2854 -0.2854 0.8864 0.8864 0.9525 0.9525 1.1518 1.1518 1.2334 1.2334 3.9622 3.9622 4.3807 4.3807 4.4545 4.4545 4.5377 4.5377 4.7927 4.7927 4.8067 4.8067 4.9526 4.9526 5.4339 5.4339 5.4978 5.4978 5.9216 5.9216 5.9404 5.9404 10.8013 10.8013 11.9973 11.9973 13.5877 13.5877 13.6412 13.6412 13.8008 13.8008 14.2373 14.2373 k = 0.0303 0.0525 0.4748 ( 3716 PWs) bands (ev): -31.1996 -31.1996 -14.9202 -14.9202 -12.6421 -12.6421 -12.3951 -12.3951 -12.0793 -12.0793 -11.5639 -11.5639 -11.3732 -11.3732 -11.2997 -11.2997 -10.2691 -10.2691 -10.2565 -10.2565 -5.3158 -5.3158 -0.3397 -0.3397 -0.2785 -0.2785 0.8913 0.8913 0.9509 0.9509 1.1399 1.1399 1.2055 1.2055 3.9582 3.9582 4.4316 4.4316 4.4458 4.4458 4.5528 4.5528 4.7857 4.7857 4.7970 4.7970 4.9090 4.9090 5.4658 5.4658 5.5120 5.5120 5.9218 5.9218 5.9380 5.9380 10.7906 10.7906 11.9981 11.9981 13.5844 13.5844 13.6398 13.6398 13.7802 13.7802 14.2343 14.2343 k = 0.0227 0.0394 0.4748 ( 3720 PWs) bands (ev): -31.1996 -31.1996 -14.9263 -14.9263 -12.6408 -12.6408 -12.3931 -12.3931 -12.0769 -12.0769 -11.5701 -11.5701 -11.3609 -11.3609 -11.2906 -11.2906 -10.2695 -10.2695 -10.2614 -10.2614 -5.3354 -5.3354 -0.3272 -0.3272 -0.2727 -0.2727 0.8945 0.8945 0.9508 0.9508 1.1285 1.1285 1.1850 1.1850 3.9545 3.9545 4.4305 4.4305 4.4889 4.4889 4.5659 4.5659 4.7798 4.7798 4.7885 4.7885 4.8663 4.8663 5.4903 5.4903 5.5246 5.5246 5.9210 5.9210 5.9362 5.9362 10.7820 10.7820 11.9987 11.9987 13.5815 13.5815 13.6386 13.6386 13.7641 13.7641 14.2322 14.2322 k = 0.0152 0.0262 0.4748 ( 3720 PWs) bands (ev): -31.1996 -31.1996 -14.9308 -14.9308 -12.6398 -12.6398 -12.3917 -12.3917 -12.0751 -12.0751 -11.5746 -11.5746 -11.3526 -11.3526 -11.2833 -11.2833 -10.2703 -10.2703 -10.2645 -10.2645 -5.3495 -5.3495 -0.3181 -0.3181 -0.2682 -0.2682 0.8963 0.8963 0.9515 0.9515 1.1186 1.1186 1.1715 1.1715 3.9516 3.9516 4.4237 4.4237 4.5349 4.5349 4.5761 4.5761 4.7748 4.7748 4.7822 4.7822 4.8269 4.8269 5.5068 5.5068 5.5355 5.5355 5.9198 5.9198 5.9351 5.9351 10.7757 10.7757 11.9991 11.9991 13.5792 13.5792 13.6378 13.6378 13.7528 13.7528 14.2308 14.2308 k = 0.0076 0.0131 0.4748 ( 3716 PWs) bands (ev): -31.1996 -31.1996 -14.9334 -14.9334 -12.6392 -12.6392 -12.3908 -12.3908 -12.0741 -12.0741 -11.5773 -11.5773 -11.3477 -11.3477 -11.2787 -11.2787 -10.2712 -10.2712 -10.2660 -10.2660 -5.3580 -5.3580 -0.3126 -0.3126 -0.2655 -0.2655 0.8971 0.8971 0.9522 0.9522 1.1118 1.1118 1.1640 1.1640 3.9497 3.9497 4.4195 4.4195 4.5704 4.5704 4.5827 4.5827 4.7708 4.7708 4.7785 4.7785 4.7962 4.7962 5.5159 5.5159 5.5432 5.5432 5.9189 5.9189 5.9344 5.9344 10.7719 10.7719 11.9993 11.9993 13.5777 13.5777 13.6373 13.6373 13.7461 13.7461 14.2299 14.2299 k = 0.0000 0.0000 0.4748 ( 3716 PWs) bands (ev): -31.1996 -31.1996 -14.9343 -14.9343 -12.6390 -12.6390 -12.3905 -12.3905 -12.0737 -12.0737 -11.5782 -11.5782 -11.3462 -11.3462 -11.2771 -11.2771 -10.2716 -10.2716 -10.2664 -10.2664 -5.3609 -5.3609 -0.3108 -0.3108 -0.2645 -0.2645 0.8974 0.8974 0.9525 0.9525 1.1093 1.1093 1.1616 1.1616 3.9491 3.9491 4.4180 4.4180 4.5837 4.5837 4.5860 4.5860 4.7685 4.7685 4.7770 4.7770 4.7845 4.7845 5.5187 5.5187 5.5460 5.5460 5.9185 5.9185 5.9341 5.9341 10.7707 10.7707 11.9994 11.9994 13.5772 13.5772 13.6371 13.6371 13.7439 13.7439 14.2297 14.2297 k = 0.5000 0.2887 0.4748 ( 3748 PWs) bands (ev): -31.1989 -31.1989 -13.9985 -13.9985 -13.3226 -13.3226 -12.6473 -12.6473 -12.3824 -12.3824 -11.9793 -11.9793 -11.7507 -11.7507 -10.7714 -10.7714 -10.6179 -10.6179 -10.0050 -10.0050 -3.4022 -3.4022 -1.6456 -1.6456 -0.1250 -0.1250 0.8788 0.8788 1.4751 1.4751 1.6494 1.6494 1.6600 1.6600 3.4036 3.4036 3.4672 3.4672 4.1925 4.1925 4.2164 4.2164 4.8370 4.8370 4.9071 4.9071 5.1628 5.1628 5.4480 5.4480 5.6538 5.6538 5.7401 5.7401 5.9190 5.9190 11.2783 11.2783 11.6368 11.6368 13.7277 13.7277 14.1034 14.1034 14.1585 14.1585 14.9505 14.9505 k = 0.5000 0.2887 0.4594 ( 3756 PWs) bands (ev): -31.1989 -31.1989 -13.9990 -13.9990 -13.3222 -13.3222 -12.6468 -12.6468 -12.3826 -12.3826 -11.9805 -11.9805 -11.7496 -11.7496 -10.7720 -10.7720 -10.6169 -10.6169 -10.0055 -10.0055 -3.4024 -3.4024 -1.6454 -1.6454 -0.1245 -0.1245 0.8788 0.8788 1.4750 1.4750 1.6476 1.6476 1.6610 1.6610 3.4034 3.4034 3.4672 3.4672 4.1917 4.1917 4.2173 4.2173 4.8369 4.8369 4.9080 4.9080 5.1619 5.1619 5.4487 5.4487 5.6486 5.6486 5.7447 5.7447 5.9191 5.9191 11.2789 11.2789 11.6354 11.6354 13.7294 13.7294 14.1029 14.1029 14.1580 14.1580 14.9509 14.9509 k = 0.5000 0.2887 0.4441 ( 3762 PWs) bands (ev): -31.1989 -31.1989 -14.0003 -14.0003 -13.3211 -13.3211 -12.6454 -12.6454 -12.3831 -12.3831 -11.9841 -11.9841 -11.7463 -11.7463 -10.7737 -10.7737 -10.6139 -10.6139 -10.0069 -10.0069 -3.4030 -3.4030 -1.6450 -1.6450 -0.1231 -0.1231 0.8787 0.8787 1.4745 1.4745 1.6429 1.6429 1.6633 1.6633 3.4027 3.4027 3.4673 3.4673 4.1894 4.1894 4.2201 4.2201 4.8368 4.8368 4.9105 4.9105 5.1593 5.1593 5.4511 5.4511 5.6355 5.6355 5.7561 5.7561 5.9192 5.9192 11.2808 11.2808 11.6309 11.6309 13.7343 13.7343 14.1017 14.1017 14.1565 14.1565 14.9521 14.9521 k = 0.5000 0.2887 0.4288 ( 3764 PWs) bands (ev): -31.1989 -31.1989 -14.0026 -14.0026 -13.3192 -13.3192 -12.6430 -12.6430 -12.3839 -12.3839 -11.9899 -11.9899 -11.7409 -11.7409 -10.7767 -10.7767 -10.6090 -10.6090 -10.0093 -10.0093 -3.4041 -3.4041 -1.6444 -1.6444 -0.1207 -0.1207 0.8785 0.8785 1.4738 1.4738 1.6357 1.6357 1.6665 1.6665 3.4015 3.4015 3.4676 3.4676 4.1854 4.1854 4.2248 4.2248 4.8366 4.8366 4.9148 4.9148 5.1550 5.1550 5.4548 5.4548 5.6181 5.6181 5.7707 5.7707 5.9195 5.9195 11.2841 11.2841 11.6237 11.6237 13.7423 13.7423 14.0996 14.0996 14.1540 14.1540 14.9542 14.9542 k = 0.5000 0.2887 0.4135 ( 3770 PWs) bands (ev): -31.1989 -31.1989 -14.0056 -14.0056 -13.3165 -13.3165 -12.6399 -12.6399 -12.3848 -12.3848 -11.9979 -11.9979 -11.7336 -11.7336 -10.7807 -10.7807 -10.6022 -10.6022 -10.0126 -10.0126 -3.4055 -3.4055 -1.6434 -1.6434 -0.1173 -0.1173 0.8783 0.8783 1.4727 1.4727 1.6262 1.6262 1.6706 1.6706 3.3999 3.3999 3.4679 3.4679 4.1799 4.1799 4.2313 4.2313 4.8364 4.8364 4.9208 4.9208 5.1491 5.1491 5.4597 5.4597 5.5987 5.5987 5.7863 5.7863 5.9200 5.9200 11.2886 11.2886 11.6137 11.6137 13.7530 13.7530 14.0968 14.0968 14.1507 14.1507 14.9570 14.9570 k = 0.5000 0.2887 0.3982 ( 3770 PWs) bands (ev): -31.1989 -31.1989 -14.0095 -14.0095 -13.3131 -13.3131 -12.6361 -12.6361 -12.3855 -12.3855 -12.0079 -12.0079 -11.7244 -11.7244 -10.7858 -10.7858 -10.5937 -10.5937 -10.0169 -10.0169 -3.4073 -3.4073 -1.6423 -1.6423 -0.1131 -0.1131 0.8781 0.8781 1.4713 1.4713 1.6144 1.6144 1.6756 1.6756 3.3979 3.3979 3.4682 3.4682 4.1730 4.1730 4.2392 4.2392 4.8363 4.8363 4.9285 4.9285 5.1416 5.1416 5.4656 5.4656 5.5784 5.5784 5.8017 5.8017 5.9208 5.9208 11.2943 11.2943 11.6013 11.6013 13.7662 13.7662 14.0931 14.0931 14.1467 14.1467 14.9607 14.9607 k = 0.5000 0.2887 0.3829 ( 3766 PWs) bands (ev): -31.1989 -31.1989 -14.0141 -14.0141 -13.3090 -13.3090 -12.6321 -12.6321 -12.3859 -12.3859 -12.0196 -12.0196 -11.7136 -11.7136 -10.7921 -10.7921 -10.5836 -10.5836 -10.0220 -10.0220 -3.4095 -3.4095 -1.6409 -1.6409 -0.1081 -0.1081 0.8779 0.8779 1.4695 1.4695 1.6005 1.6005 1.6815 1.6815 3.3955 3.3955 3.4687 3.4687 4.1649 4.1649 4.2484 4.2484 4.8362 4.8362 4.9378 4.9378 5.1327 5.1327 5.4720 5.4720 5.5578 5.5578 5.8166 5.8166 5.9220 5.9220 11.3012 11.3012 11.5867 11.5867 13.7812 13.7812 14.0887 14.0887 14.1423 14.1423 14.9651 14.9651 k = 0.5000 0.2887 0.3676 ( 3762 PWs) bands (ev): -31.1989 -31.1989 -14.0193 -14.0193 -13.3042 -13.3042 -12.6280 -12.6280 -12.3856 -12.3856 -12.0329 -12.0329 -11.7013 -11.7013 -10.7993 -10.7993 -10.5721 -10.5721 -10.0280 -10.0280 -3.4121 -3.4121 -1.6392 -1.6392 -0.1022 -0.1022 0.8777 0.8777 1.4673 1.4673 1.5847 1.5847 1.6884 1.6884 3.3927 3.3927 3.4692 3.4692 4.1558 4.1558 4.2586 4.2586 4.8362 4.8362 4.9487 4.9487 5.1224 5.1224 5.4786 5.4786 5.5373 5.5373 5.8306 5.8306 5.9237 5.9237 11.3093 11.3093 11.5702 11.5702 13.7975 13.7975 14.0835 14.0835 14.1376 14.1376 14.9702 14.9702 k = 0.5000 0.2887 0.3522 ( 3766 PWs) bands (ev): -31.1989 -31.1989 -14.0251 -14.0251 -13.2986 -13.2986 -12.6242 -12.6242 -12.3845 -12.3845 -12.0475 -12.0475 -11.6878 -11.6878 -10.8075 -10.8075 -10.5594 -10.5594 -10.0348 -10.0348 -3.4149 -3.4149 -1.6374 -1.6374 -0.0955 -0.0955 0.8775 0.8775 1.4647 1.4647 1.5672 1.5672 1.6962 1.6962 3.3896 3.3896 3.4698 3.4698 4.1459 4.1459 4.2694 4.2694 4.8365 4.8365 4.9612 4.9612 5.1109 5.1109 5.4851 5.4851 5.5172 5.5172 5.8435 5.8435 5.9261 5.9261 11.3184 11.3184 11.5521 11.5521 13.8143 13.8143 14.0776 14.0776 14.1330 14.1330 14.9761 14.9761 k = 0.5000 0.2887 0.3369 ( 3762 PWs) bands (ev): -31.1989 -31.1989 -14.0314 -14.0314 -13.2924 -13.2924 -12.6209 -12.6209 -12.3821 -12.3821 -12.0633 -12.0633 -11.6731 -11.6731 -10.8167 -10.8167 -10.5456 -10.5456 -10.0423 -10.0423 -3.4180 -3.4180 -1.6353 -1.6353 -0.0882 -0.0882 0.8774 0.8774 1.4616 1.4616 1.5482 1.5482 1.7048 1.7048 3.3860 3.3860 3.4705 3.4705 4.1354 4.1354 4.2805 4.2805 4.8369 4.8369 4.9752 4.9752 5.0981 5.0981 5.4908 5.4908 5.4983 5.4983 5.8551 5.8551 5.9293 5.9293 11.3286 11.3286 11.5326 11.5326 13.8308 13.8308 14.0709 14.0709 14.1289 14.1289 14.9826 14.9826 k = 0.5000 0.2887 0.3216 ( 3770 PWs) bands (ev): -31.1989 -31.1989 -14.0382 -14.0382 -13.2856 -13.2856 -12.6185 -12.6185 -12.3784 -12.3784 -12.0799 -12.0799 -11.6574 -11.6574 -10.8268 -10.8268 -10.5309 -10.5309 -10.0506 -10.0506 -3.4215 -3.4215 -1.6331 -1.6331 -0.0803 -0.0803 0.8774 0.8774 1.4581 1.4581 1.5279 1.5279 1.7142 1.7142 3.3822 3.3822 3.4712 3.4712 4.1247 4.1247 4.2917 4.2917 4.8376 4.8376 4.9906 4.9906 5.0843 5.0843 5.4792 5.4792 5.4967 5.4967 5.8655 5.8655 5.9334 5.9334 11.3397 11.3397 11.5120 11.5120 13.8460 13.8460 14.0635 14.0635 14.1259 14.1259 14.9898 14.9898 k = 0.5000 0.2887 0.3063 ( 3774 PWs) bands (ev): -31.1989 -31.1989 -14.0452 -14.0452 -13.2781 -13.2781 -12.6171 -12.6171 -12.3733 -12.3733 -12.0971 -12.0971 -11.6410 -11.6410 -10.8377 -10.8377 -10.5155 -10.5155 -10.0595 -10.0595 -3.4251 -3.4251 -1.6308 -1.6308 -0.0718 -0.0718 0.8774 0.8774 1.4542 1.4542 1.5068 1.5068 1.7244 1.7244 3.3779 3.3779 3.4719 3.4719 4.1138 4.1138 4.3028 4.3028 4.8385 4.8385 5.0071 5.0071 5.0694 5.0694 5.4622 5.4622 5.5008 5.5008 5.8746 5.8746 5.9384 5.9384 11.3518 11.3518 11.4908 11.4908 13.8591 13.8591 14.0555 14.0555 14.1247 14.1247 14.9978 14.9978 k = 0.5000 0.2887 0.2910 ( 3772 PWs) bands (ev): -31.1990 -31.1990 -14.0526 -14.0526 -13.2701 -13.2701 -12.6169 -12.6169 -12.3667 -12.3667 -12.1146 -12.1146 -11.6240 -11.6240 -10.8493 -10.8493 -10.4996 -10.4996 -10.0691 -10.0691 -3.4289 -3.4289 -1.6283 -1.6283 -0.0628 -0.0628 0.8776 0.8776 1.4496 1.4496 1.4849 1.4849 1.7352 1.7352 3.3733 3.3733 3.4727 3.4727 4.1029 4.1029 4.3136 4.3136 4.8397 4.8397 5.0245 5.0245 5.0538 5.0538 5.4467 5.4467 5.5036 5.5036 5.8824 5.8824 5.9444 5.9444 11.3646 11.3646 11.4691 11.4691 13.8690 13.8690 14.0468 14.0468 14.1257 14.1257 15.0065 15.0065 k = 0.5000 0.2887 0.2757 ( 3788 PWs) bands (ev): -31.1990 -31.1990 -14.0600 -14.0600 -13.2616 -13.2616 -12.6180 -12.6180 -12.3589 -12.3589 -12.1320 -12.1320 -11.6064 -11.6064 -10.8617 -10.8617 -10.4833 -10.4833 -10.0791 -10.0791 -3.4329 -3.4329 -1.6257 -1.6257 -0.0535 -0.0535 0.8779 0.8779 1.4442 1.4442 1.4631 1.4631 1.7467 1.7467 3.3684 3.3684 3.4736 3.4736 4.0924 4.0924 4.3240 4.3240 4.8411 4.8411 5.0338 5.0338 5.0460 5.0460 5.4329 5.4329 5.5052 5.5052 5.8888 5.8888 5.9514 5.9514 11.3780 11.3780 11.4471 11.4471 13.8751 13.8751 14.0375 14.0375 14.1292 14.1292 15.0161 15.0161 k = 0.5000 0.2887 0.2604 ( 3778 PWs) bands (ev): -31.1990 -31.1990 -14.0676 -14.0676 -13.2525 -13.2525 -12.6201 -12.6201 -12.3504 -12.3504 -12.1487 -12.1487 -11.5886 -11.5886 -10.8745 -10.8745 -10.4669 -10.4669 -10.0896 -10.0896 -3.4369 -3.4369 -1.6230 -1.6230 -0.0439 -0.0439 0.8784 0.8784 1.4348 1.4348 1.4445 1.4445 1.7586 1.7586 3.3631 3.3631 3.4744 3.4744 4.0821 4.0821 4.3340 4.3340 4.8427 4.8427 5.0172 5.0172 5.0637 5.0637 5.4211 5.4211 5.5053 5.5053 5.8940 5.8940 5.9592 5.9592 11.3920 11.3920 11.4253 11.4253 13.8772 13.8772 14.0278 14.0278 14.1354 14.1354 15.0268 15.0268 k = 0.5000 0.2887 0.2450 ( 3770 PWs) bands (ev): -31.1990 -31.1990 -14.0751 -14.0751 -13.2430 -13.2430 -12.6233 -12.6233 -12.3418 -12.3418 -12.1641 -12.1641 -11.5706 -11.5706 -10.8879 -10.8879 -10.4505 -10.4505 -10.1005 -10.1005 -3.4411 -3.4411 -1.6203 -1.6203 -0.0341 -0.0341 0.8790 0.8790 1.4150 1.4150 1.4359 1.4359 1.7710 1.7710 3.3574 3.3574 3.4753 3.4753 4.0724 4.0724 4.3435 4.3435 4.8446 4.8446 4.9981 4.9981 5.0832 5.0832 5.4115 5.4115 5.5040 5.5040 5.8979 5.8979 5.9678 5.9678 11.4035 11.4035 11.4067 11.4067 13.8755 13.8755 14.0176 14.0176 14.1437 14.1437 15.0387 15.0388 k = 0.5000 0.2887 0.2297 ( 3766 PWs) bands (ev): -31.1990 -31.1990 -14.0826 -14.0826 -13.2332 -13.2332 -12.6274 -12.6274 -12.3342 -12.3342 -12.1773 -12.1773 -11.5526 -11.5526 -10.9017 -10.9017 -10.4342 -10.4342 -10.1116 -10.1116 -3.4452 -3.4452 -1.6175 -1.6175 -0.0242 -0.0242 0.8798 0.8798 1.3930 1.3930 1.4295 1.4295 1.7836 1.7836 3.3514 3.3514 3.4762 3.4762 4.0633 4.0633 4.3527 4.3527 4.8467 4.8467 4.9777 4.9777 5.1030 5.1030 5.4040 5.4040 5.5014 5.5014 5.9006 5.9006 5.9770 5.9770 11.3825 11.3825 11.4212 11.4212 13.8704 13.8704 14.0070 14.0070 14.1535 14.1535 15.0522 15.0522 k = 0.5000 0.2887 0.2144 ( 3766 PWs) bands (ev): -31.1990 -31.1990 -14.0899 -14.0899 -13.2231 -13.2231 -12.6322 -12.6322 -12.3288 -12.3288 -12.1872 -12.1872 -11.5347 -11.5347 -10.9158 -10.9158 -10.4182 -10.4182 -10.1229 -10.1229 -3.4494 -3.4494 -1.6148 -1.6148 -0.0143 -0.0143 0.8808 0.8808 1.3711 1.3711 1.4231 1.4231 1.7964 1.7964 3.3451 3.3451 3.4771 3.4771 4.0549 4.0549 4.3616 4.3616 4.8489 4.8489 4.9564 4.9564 5.1227 5.1227 5.3989 5.3989 5.4976 5.4976 5.9023 5.9023 5.9866 5.9866 11.3620 11.3620 11.4361 11.4361 13.8627 13.8627 13.9961 13.9961 14.1641 14.1641 15.0674 15.0674 k = 0.5000 0.2887 0.1991 ( 3762 PWs) bands (ev): -31.1990 -31.1990 -14.0970 -14.0970 -13.2128 -13.2128 -12.6375 -12.6375 -12.3271 -12.3271 -12.1924 -12.1924 -11.5171 -11.5171 -10.9300 -10.9300 -10.4026 -10.4026 -10.1343 -10.1343 -3.4535 -3.4535 -1.6121 -1.6121 -0.0045 -0.0045 0.8819 0.8819 1.3497 1.3497 1.4165 1.4165 1.8092 1.8092 3.3385 3.3385 3.4780 3.4780 4.0471 4.0471 4.3705 4.3705 4.8512 4.8512 4.9341 4.9341 5.1420 5.1420 5.3959 5.3959 5.4929 5.4929 5.9030 5.9030 5.9964 5.9964 11.3423 11.3423 11.4509 11.4509 13.8530 13.8530 13.9851 13.9851 14.1747 14.1747 15.0845 15.0845 k = 0.5000 0.2887 0.1838 ( 3766 PWs) bands (ev): -31.1990 -31.1990 -14.1038 -14.1038 -13.2023 -13.2023 -12.6433 -12.6433 -12.3297 -12.3297 -12.1924 -12.1924 -11.5000 -11.5000 -10.9442 -10.9442 -10.3876 -10.3876 -10.1456 -10.1456 -3.4575 -3.4575 -1.6095 -1.6095 0.0050 0.0050 0.8832 0.8832 1.3292 1.3292 1.4099 1.4099 1.8220 1.8220 3.3317 3.3317 3.4789 3.4789 4.0401 4.0401 4.3794 4.3794 4.8536 4.8536 4.9110 4.9110 5.1607 5.1607 5.3949 5.3949 5.4873 5.4873 5.9028 5.9028 6.0063 6.0063 11.3236 11.3236 11.4656 11.4656 13.8420 13.8420 13.9740 13.9740 14.1849 14.1849 15.1035 15.1035 k = 0.5000 0.2887 0.1685 ( 3766 PWs) bands (ev): -31.1990 -31.1990 -14.1103 -14.1103 -13.1918 -13.1918 -12.6493 -12.6493 -12.3363 -12.3363 -12.1876 -12.1876 -11.4834 -11.4834 -10.9582 -10.9582 -10.3732 -10.3732 -10.1569 -10.1569 -3.4613 -3.4613 -1.6069 -1.6069 0.0143 0.0143 0.8846 0.8846 1.3096 1.3096 1.4032 1.4032 1.8345 1.8345 3.3247 3.3247 3.4797 3.4797 4.0339 4.0339 4.3886 4.3886 4.8561 4.8561 4.8873 4.8873 5.1784 5.1784 5.3957 5.3957 5.4813 5.4813 5.9020 5.9020 6.0160 6.0160 11.3059 11.3059 11.4799 11.4799 13.8302 13.8302 13.9630 13.9630 14.1942 14.1942 15.1246 15.1246 k = 0.5000 0.2887 0.1531 ( 3762 PWs) bands (ev): -31.1990 -31.1990 -14.1164 -14.1164 -13.1815 -13.1815 -12.6553 -12.6553 -12.3457 -12.3457 -12.1793 -12.1793 -11.4676 -11.4676 -10.9719 -10.9719 -10.3595 -10.3595 -10.1679 -10.1679 -3.4650 -3.4650 -1.6045 -1.6045 0.0231 0.0231 0.8861 0.8861 1.2912 1.2912 1.3965 1.3965 1.8467 1.8467 3.3177 3.3177 3.4806 3.4806 4.0283 4.0283 4.3980 4.3980 4.8584 4.8584 4.8634 4.8634 5.1951 5.1951 5.3981 5.3981 5.4748 5.4748 5.9005 5.9005 6.0254 6.0254 11.2895 11.2895 11.4938 11.4938 13.8181 13.8181 13.9522 13.9522 14.2024 14.2024 15.1476 15.1476 k = 0.5000 0.2887 0.1378 ( 3768 PWs) bands (ev): -31.1990 -31.1990 -14.1220 -14.1220 -13.1713 -13.1713 -12.6614 -12.6614 -12.3567 -12.3567 -12.1690 -12.1690 -11.4527 -11.4527 -10.9852 -10.9852 -10.3466 -10.3466 -10.1785 -10.1785 -3.4684 -3.4684 -1.6022 -1.6022 0.0315 0.0315 0.8876 0.8876 1.2741 1.2741 1.3900 1.3900 1.8583 1.8583 3.3107 3.3107 3.4814 3.4814 4.0235 4.0235 4.4080 4.4080 4.8389 4.8389 4.8611 4.8611 5.2105 5.2105 5.4016 5.4016 5.4682 5.4682 5.8987 5.8987 6.0343 6.0343 11.2743 11.2743 11.5069 11.5069 13.8061 13.8061 13.9419 13.9419 14.2094 14.2094 15.1726 15.1726 k = 0.5000 0.2887 0.1225 ( 3772 PWs) bands (ev): -31.1990 -31.1990 -14.1272 -14.1272 -13.1616 -13.1616 -12.6674 -12.6674 -12.3681 -12.3681 -12.1577 -12.1577 -11.4388 -11.4388 -10.9977 -10.9977 -10.3346 -10.3346 -10.1888 -10.1888 -3.4716 -3.4716 -1.6001 -1.6001 0.0392 0.0392 0.8892 0.8892 1.2584 1.2584 1.3837 1.3837 1.8692 1.8692 3.3040 3.3040 3.4822 3.4822 4.0193 4.0193 4.4184 4.4184 4.8148 4.8148 4.8634 4.8634 5.2245 5.2245 5.4060 5.4060 5.4617 5.4617 5.8965 5.8965 6.0427 6.0427 11.2605 11.2605 11.5193 11.5193 13.7945 13.7945 13.9320 13.9320 14.2152 14.2152 15.1992 15.1992 k = 0.5000 0.2887 0.1072 ( 3762 PWs) bands (ev): -31.1990 -31.1990 -14.1318 -14.1318 -13.1524 -13.1524 -12.6731 -12.6731 -12.3793 -12.3793 -12.1463 -12.1463 -11.4261 -11.4261 -11.0094 -11.0094 -10.3235 -10.3235 -10.1985 -10.1985 -3.4745 -3.4745 -1.5982 -1.5982 0.0462 0.0462 0.8907 0.8907 1.2443 1.2443 1.3779 1.3779 1.8793 1.8793 3.2975 3.2975 3.4829 3.4829 4.0158 4.0158 4.4293 4.4293 4.7911 4.7911 4.8656 4.8656 5.2372 5.2372 5.4108 5.4108 5.4554 5.4554 5.8942 5.8942 6.0503 6.0503 11.2482 11.2482 11.5306 11.5306 13.7836 13.7836 13.9230 13.9230 14.2200 14.2200 15.2272 15.2272 k = 0.5000 0.2887 0.0919 ( 3774 PWs) bands (ev): -31.1991 -31.1991 -14.1359 -14.1359 -13.1439 -13.1439 -12.6784 -12.6784 -12.3897 -12.3897 -12.1355 -12.1355 -11.4148 -11.4148 -11.0201 -11.0201 -10.3134 -10.3134 -10.2076 -10.2076 -3.4771 -3.4771 -1.5964 -1.5964 0.0525 0.0525 0.8922 0.8922 1.2319 1.2319 1.3725 1.3725 1.8884 1.8884 3.2916 3.2916 3.4836 3.4836 4.0129 4.0129 4.4405 4.4405 4.7682 4.7682 4.8676 4.8676 5.2483 5.2483 5.4157 5.4157 5.4495 5.4495 5.8920 5.8920 6.0571 6.0571 11.2374 11.2374 11.5407 11.5407 13.7736 13.7736 13.9147 13.9147 14.2237 14.2237 15.2561 15.2561 k = 0.5000 0.2887 0.0766 ( 3770 PWs) bands (ev): -31.1991 -31.1991 -14.1394 -14.1394 -13.1363 -13.1363 -12.6832 -12.6832 -12.3990 -12.3990 -12.1256 -12.1256 -11.4049 -11.4049 -11.0295 -11.0295 -10.3042 -10.3042 -10.2159 -10.2159 -3.4793 -3.4793 -1.5949 -1.5949 0.0580 0.0580 0.8936 0.8936 1.2212 1.2212 1.3677 1.3677 1.8964 1.8964 3.2862 3.2862 3.4841 3.4841 4.0105 4.0105 4.4519 4.4519 4.7466 4.7466 4.8694 4.8694 5.2579 5.2579 5.4203 5.4203 5.4443 5.4443 5.8898 5.8898 6.0629 6.0629 11.2282 11.2282 11.5496 11.5496 13.7648 13.7648 13.9074 13.9074 14.2267 14.2267 15.2853 15.2853 k = 0.5000 0.2887 0.0613 ( 3768 PWs) bands (ev): -31.1991 -31.1991 -14.1423 -14.1423 -13.1297 -13.1297 -12.6874 -12.6874 -12.4069 -12.4069 -12.1170 -12.1170 -11.3966 -11.3966 -11.0375 -11.0375 -10.2961 -10.2961 -10.2235 -10.2235 -3.4811 -3.4811 -1.5937 -1.5937 0.0625 0.0625 0.8948 0.8948 1.2124 1.2124 1.3636 1.3636 1.9031 1.9031 3.2816 3.2816 3.4846 3.4846 4.0086 4.0086 4.4631 4.4631 4.7269 4.7269 4.8710 4.8710 5.2658 5.2658 5.4244 5.4244 5.4398 5.4398 5.8879 5.8879 6.0678 6.0678 11.2206 11.2206 11.5570 11.5570 13.7574 13.7574 13.9013 13.9013 14.2288 14.2288 15.3142 15.3142 k = 0.5000 0.2887 0.0459 ( 3768 PWs) bands (ev): -31.1991 -31.1991 -14.1446 -14.1446 -13.1244 -13.1244 -12.6908 -12.6908 -12.4133 -12.4133 -12.1101 -12.1101 -11.3901 -11.3901 -11.0439 -11.0439 -10.2891 -10.2891 -10.2302 -10.2302 -3.4826 -3.4826 -1.5927 -1.5927 0.0661 0.0661 0.8957 0.8957 1.2055 1.2055 1.3604 1.3604 1.9084 1.9084 3.2779 3.2779 3.4850 3.4850 4.0071 4.0071 4.4733 4.4733 4.7097 4.7097 4.8722 4.8722 5.2721 5.2721 5.4278 5.4278 5.4362 5.4362 5.8863 5.8863 6.0717 6.0717 11.2146 11.2146 11.5629 11.5629 13.7514 13.7514 13.8964 13.8964 14.2304 14.2304 15.3414 15.3414 k = 0.5000 0.2887 0.0306 ( 3768 PWs) bands (ev): -31.1991 -31.1991 -14.1462 -14.1462 -13.1205 -13.1205 -12.6934 -12.6934 -12.4179 -12.4179 -12.1050 -12.1050 -11.3853 -11.3853 -11.0487 -11.0487 -10.2834 -10.2834 -10.2356 -10.2356 -3.4836 -3.4836 -1.5920 -1.5920 0.0687 0.0687 0.8965 0.8965 1.2005 1.2005 1.3580 1.3580 1.9123 1.9123 3.2752 3.2752 3.4853 3.4853 4.0061 4.0061 4.4819 4.4819 4.6962 4.6962 4.8731 4.8731 5.2766 5.2766 5.4304 5.4304 5.4335 5.4335 5.8852 5.8852 6.0745 6.0745 11.2104 11.2104 11.5672 11.5672 13.7471 13.7471 13.8929 13.8929 14.2314 14.2314 15.3653 15.3653 k = 0.5000 0.2887 0.0153 ( 3762 PWs) bands (ev): -31.1991 -31.1991 -14.1472 -14.1472 -13.1181 -13.1181 -12.6949 -12.6949 -12.4207 -12.4207 -12.1019 -12.1019 -11.3824 -11.3824 -11.0515 -11.0515 -10.2795 -10.2795 -10.2394 -10.2394 -3.4843 -3.4843 -1.5916 -1.5916 0.0703 0.0703 0.8969 0.8969 1.1975 1.1975 1.3565 1.3565 1.9147 1.9147 3.2735 3.2735 3.4855 3.4855 4.0056 4.0056 4.4877 4.4877 4.6874 4.6874 4.8737 4.8737 5.2794 5.2794 5.4317 5.4317 5.4321 5.4321 5.8844 5.8844 6.0761 6.0761 11.2078 11.2078 11.5698 11.5698 13.7445 13.7445 13.8907 13.8907 14.2320 14.2320 15.3834 15.3834 k = 0.5000 0.2887-0.0000 ( 3764 PWs) bands (ev): -31.1991 -31.1991 -14.1475 -14.1475 -13.1173 -13.1173 -12.6954 -12.6954 -12.4216 -12.4216 -12.1008 -12.1008 -11.3814 -11.3814 -11.0525 -11.0525 -10.2781 -10.2781 -10.2408 -10.2408 -3.4845 -3.4845 -1.5914 -1.5914 0.0708 0.0708 0.8971 0.8971 1.1965 1.1965 1.3560 1.3560 1.9155 1.9155 3.2729 3.2729 3.4856 3.4856 4.0054 4.0054 4.4897 4.4897 4.6843 4.6843 4.8739 4.8739 5.2803 5.2803 5.4313 5.4313 5.4325 5.4325 5.8842 5.8842 6.0767 6.0767 11.2069 11.2069 11.5707 11.5707 13.7436 13.7436 13.8900 13.8900 14.2322 14.2322 15.3908 15.3908 k = 0.3333 0.5774-0.0000 ( 3762 PWs) bands (ev): -31.1990 -31.1990 -13.7236 -13.7236 -13.7092 -13.7092 -12.5838 -12.5838 -12.2114 -12.2114 -12.0453 -12.0453 -11.7187 -11.7187 -10.8019 -10.8019 -10.7968 -10.7968 -9.9375 -9.9375 -2.5298 -2.5298 -2.5176 -2.5176 0.3785 0.3785 0.4095 0.4095 1.3317 1.3317 2.1456 2.1456 2.1551 2.1551 2.2557 2.2557 2.9234 2.9234 4.5844 4.5844 4.7048 4.7048 4.9123 4.9123 4.9133 4.9133 5.1467 5.1467 5.1468 5.1468 5.8120 5.8120 5.8186 5.8186 5.8546 5.8546 11.3195 11.3195 11.3226 11.3226 13.8707 13.8707 13.9181 13.9181 13.9338 13.9338 14.9853 14.9853 k = 0.3333 0.5774 0.0153 ( 3756 PWs) bands (ev): -31.1990 -31.1990 -13.7198 -13.7198 -13.7058 -13.7058 -12.5764 -12.5764 -12.2173 -12.2173 -12.0590 -12.0590 -11.7428 -11.7428 -10.7914 -10.7914 -10.7844 -10.7844 -9.9253 -9.9253 -2.5315 -2.5315 -2.5192 -2.5192 0.3667 0.3667 0.3979 0.3979 1.3126 1.3126 2.1498 2.1498 2.1586 2.1586 2.2559 2.2559 2.9272 2.9272 4.6172 4.6172 4.7054 4.7054 4.9004 4.9004 4.9013 4.9013 5.1654 5.1654 5.1656 5.1656 5.8236 5.8236 5.8273 5.8273 5.8423 5.8423 11.3357 11.3357 11.3387 11.3387 13.8438 13.8438 13.8950 13.8950 13.9356 13.9356 14.9209 14.9209 k = 0.3333 0.5774 0.0306 ( 3756 PWs) bands (ev): -31.1990 -31.1990 -13.7152 -13.7152 -13.7018 -13.7018 -12.5703 -12.5703 -12.2235 -12.2235 -12.0741 -12.0741 -11.7659 -11.7659 -10.7804 -10.7804 -10.7715 -10.7715 -9.9139 -9.9139 -2.5333 -2.5333 -2.5209 -2.5209 0.3551 0.3551 0.3864 0.3864 1.2934 1.2934 2.1546 2.1546 2.1627 2.1627 2.2564 2.2564 2.9316 2.9316 4.6499 4.6499 4.7057 4.7057 4.8863 4.8863 4.8872 4.8872 5.1860 5.1860 5.1866 5.1866 5.8208 5.8208 5.8348 5.8348 5.8449 5.8449 11.3525 11.3525 11.3554 11.3554 13.8168 13.8168 13.8703 13.8703 13.9403 13.9403 14.8571 14.8571 k = 0.3333 0.5774 0.0459 ( 3756 PWs) bands (ev): -31.1990 -31.1990 -13.7099 -13.7099 -13.6971 -13.6971 -12.5657 -12.5657 -12.2300 -12.2300 -12.0903 -12.0903 -11.7876 -11.7876 -10.7689 -10.7689 -10.7580 -10.7580 -9.9034 -9.9034 -2.5350 -2.5350 -2.5225 -2.5225 0.3438 0.3438 0.3753 0.3753 1.2743 1.2743 2.1598 2.1598 2.1672 2.1672 2.2571 2.2571 2.9365 2.9365 4.6824 4.6824 4.7058 4.7058 4.8712 4.8712 4.8719 4.8719 5.2076 5.2076 5.2087 5.2087 5.8069 5.8069 5.8455 5.8455 5.8546 5.8546 11.3697 11.3697 11.3725 11.3725 13.7904 13.7904 13.8459 13.8459 13.9463 13.9463 14.7942 14.7942 k = 0.3333 0.5774 0.0613 ( 3750 PWs) bands (ev): -31.1990 -31.1990 -13.7040 -13.7040 -13.6919 -13.6919 -12.5628 -12.5628 -12.2366 -12.2366 -12.1074 -12.1074 -11.8076 -11.8076 -10.7572 -10.7572 -10.7442 -10.7442 -9.8938 -9.8938 -2.5368 -2.5368 -2.5242 -2.5242 0.3330 0.3330 0.3647 0.3647 1.2556 1.2556 2.1654 2.1654 2.1720 2.1720 2.2581 2.2581 2.9419 2.9419 4.7054 4.7054 4.7145 4.7145 4.8555 4.8555 4.8561 4.8561 5.2296 5.2296 5.2311 5.2311 5.7925 5.7925 5.8555 5.8555 5.8643 5.8643 11.3871 11.3871 11.3898 11.3898 13.7651 13.7651 13.8222 13.8222 13.9534 13.9534 14.7324 14.7324 k = 0.3333 0.5774 0.0766 ( 3750 PWs) bands (ev): -31.1990 -31.1990 -13.6975 -13.6975 -13.6862 -13.6862 -12.5618 -12.5618 -12.2433 -12.2433 -12.1254 -12.1254 -11.8256 -11.8256 -10.7453 -10.7453 -10.7303 -10.7303 -9.8853 -9.8853 -2.5385 -2.5385 -2.5259 -2.5259 0.3228 0.3228 0.3546 0.3546 1.2373 1.2373 2.1713 2.1713 2.1771 2.1771 2.2593 2.2593 2.9477 2.9477 4.7050 4.7050 4.7457 4.7457 4.8399 4.8399 4.8403 4.8403 5.2513 5.2513 5.2533 5.2533 5.7784 5.7784 5.8649 5.8649 5.8736 5.8736 11.4046 11.4046 11.4072 11.4072 13.7412 13.7412 13.7999 13.7999 13.9615 13.9615 14.6718 14.6718 k = 0.3333 0.5774 0.0919 ( 3744 PWs) bands (ev): -31.1989 -31.1989 -13.6904 -13.6904 -13.6799 -13.6799 -12.5629 -12.5629 -12.2501 -12.2501 -12.1439 -12.1439 -11.8412 -11.8412 -10.7334 -10.7334 -10.7164 -10.7164 -9.8778 -9.8778 -2.5402 -2.5402 -2.5275 -2.5275 0.3133 0.3133 0.3451 0.3451 1.2197 1.2197 2.1774 2.1774 2.1824 2.1824 2.2608 2.2608 2.9536 2.9536 4.7042 4.7042 4.7760 4.7760 4.8246 4.8246 4.8248 4.8248 5.2724 5.2724 5.2749 5.2749 5.7648 5.7648 5.8734 5.8734 5.8821 5.8821 11.4219 11.4219 11.4245 11.4245 13.7192 13.7192 13.7793 13.7793 13.9707 13.9707 14.6127 14.6127 k = 0.3333 0.5774 0.1072 ( 3744 PWs) bands (ev): -31.1989 -31.1989 -13.6828 -13.6828 -13.6732 -13.6732 -12.5660 -12.5660 -12.2571 -12.2571 -12.1629 -12.1629 -11.8540 -11.8540 -10.7216 -10.7216 -10.7026 -10.7026 -9.8715 -9.8715 -2.5419 -2.5419 -2.5291 -2.5291 0.3045 0.3045 0.3364 0.3364 1.2030 1.2030 2.1837 2.1837 2.1878 2.1878 2.2626 2.2626 2.9596 2.9596 4.7032 4.7032 4.8052 4.8052 4.8098 4.8098 4.8099 4.8099 5.2925 5.2925 5.2955 5.2955 5.7517 5.7517 5.8811 5.8811 5.8898 5.8898 11.4390 11.4390 11.4415 11.4415 13.6996 13.6996 13.7609 13.7609 13.9808 13.9808 14.5552 14.5552 k = 0.3333 0.5774 0.1225 ( 3759 PWs) bands (ev): -31.1989 -31.1989 -13.6747 -13.6747 -13.6661 -13.6661 -12.5712 -12.5712 -12.2648 -12.2648 -12.1822 -12.1822 -11.8637 -11.8637 -10.7101 -10.7101 -10.6892 -10.6892 -9.8663 -9.8663 -2.5434 -2.5434 -2.5306 -2.5306 0.2966 0.2966 0.3286 0.3286 1.1873 1.1873 2.1901 2.1901 2.1931 2.1931 2.2646 2.2646 2.9654 2.9654 4.7020 4.7020 4.7957 4.7957 4.7958 4.7958 4.8331 4.8331 5.3113 5.3113 5.3148 5.3148 5.7392 5.7392 5.8879 5.8879 5.8966 5.8966 11.4555 11.4555 11.4579 11.4579 13.6827 13.6827 13.7450 13.7450 13.9917 13.9917 14.4995 14.4995 k = 0.3333 0.5774 0.1378 ( 3759 PWs) bands (ev): -31.1989 -31.1989 -13.6661 -13.6661 -13.6586 -13.6586 -12.5782 -12.5782 -12.2731 -12.2731 -12.2016 -12.2016 -11.8700 -11.8700 -10.6989 -10.6989 -10.6761 -10.6761 -9.8624 -9.8624 -2.5449 -2.5449 -2.5320 -2.5320 0.2895 0.2895 0.3216 0.3216 1.1727 1.1727 2.1965 2.1965 2.1984 2.1984 2.2669 2.2669 2.9711 2.9711 4.7005 4.7005 4.7824 4.7824 4.7828 4.7828 4.8596 4.8596 5.3288 5.3288 5.3327 5.3327 5.7276 5.7276 5.8938 5.8938 5.9025 5.9025 11.4713 11.4713 11.4736 11.4736 13.6690 13.6690 13.7321 13.7321 14.0034 14.0034 14.4459 14.4459 k = 0.3333 0.5774 0.1531 ( 3759 PWs) bands (ev): -31.1989 -31.1989 -13.6572 -13.6572 -13.6508 -13.6508 -12.5868 -12.5868 -12.2824 -12.2824 -12.2209 -12.2209 -11.8727 -11.8727 -10.6882 -10.6882 -10.6636 -10.6636 -9.8596 -9.8596 -2.5463 -2.5463 -2.5333 -2.5333 0.2835 0.2835 0.3156 0.3156 1.1595 1.1595 2.2027 2.2027 2.2035 2.2035 2.2695 2.2695 2.9764 2.9764 4.6988 4.6988 4.7702 4.7702 4.7708 4.7708 4.8845 4.8845 5.3445 5.3445 5.3489 5.3489 5.7168 5.7168 5.8987 5.8987 5.9074 5.9074 11.4862 11.4862 11.4885 11.4885 13.6587 13.6587 13.7223 13.7223 14.0158 14.0158 14.3944 14.3944 k = 0.3333 0.5774 0.1685 ( 3753 PWs) bands (ev): -31.1989 -31.1989 -13.6481 -13.6481 -13.6428 -13.6428 -12.5967 -12.5967 -12.2927 -12.2927 -12.2400 -12.2400 -11.8719 -11.8719 -10.6780 -10.6780 -10.6517 -10.6517 -9.8581 -9.8581 -2.5476 -2.5476 -2.5345 -2.5345 0.2784 0.2784 0.3106 0.3106 1.1476 1.1476 2.2083 2.2083 2.2089 2.2089 2.2724 2.2724 2.9812 2.9812 4.6969 4.6969 4.7591 4.7591 4.7600 4.7600 4.9077 4.9077 5.3583 5.3583 5.3632 5.3632 5.7068 5.7068 5.9027 5.9027 5.9114 5.9114 11.5000 11.5000 11.5022 11.5022 13.6520 13.6520 13.7159 13.7159 14.0290 14.0290 14.3452 14.3452 k = 0.3333 0.5774 0.1838 ( 3753 PWs) bands (ev): -31.1989 -31.1989 -13.6387 -13.6387 -13.6346 -13.6346 -12.6078 -12.6078 -12.3042 -12.3042 -12.2587 -12.2587 -11.8676 -11.8676 -10.6684 -10.6684 -10.6406 -10.6406 -9.8579 -9.8579 -2.5487 -2.5487 -2.5356 -2.5356 0.2745 0.2745 0.3066 0.3066 1.1373 1.1373 2.2130 2.2130 2.2149 2.2149 2.2754 2.2754 2.9855 2.9855 4.6948 4.6948 4.7492 4.7492 4.7504 4.7504 4.9291 4.9291 5.3702 5.3702 5.3754 5.3754 5.6978 5.6978 5.9057 5.9057 5.9144 5.9144 11.5125 11.5125 11.5147 11.5147 13.6493 13.6493 13.7131 13.7131 14.0425 14.0425 14.2986 14.2986 k = 0.3333 0.5774 0.1991 ( 3759 PWs) bands (ev): -31.1989 -31.1989 -13.6292 -13.6292 -13.6264 -13.6264 -12.6197 -12.6197 -12.3168 -12.3168 -12.2768 -12.2768 -11.8600 -11.8600 -10.6596 -10.6596 -10.6302 -10.6302 -9.8589 -9.8589 -2.5497 -2.5497 -2.5366 -2.5366 0.2716 0.2716 0.3037 0.3037 1.1286 1.1286 2.2173 2.2173 2.2206 2.2206 2.2786 2.2786 2.9892 2.9892 4.6925 4.6925 4.7405 4.7405 4.7420 4.7420 4.9486 4.9486 5.3797 5.3797 5.3854 5.3854 5.6897 5.6897 5.9079 5.9079 5.9166 5.9166 11.5235 11.5235 11.5257 11.5257 13.6505 13.6505 13.7140 13.7140 14.0565 14.0565 14.2548 14.2548 k = 0.3333 0.5774 0.2144 ( 3762 PWs) bands (ev): -31.1989 -31.1989 -13.6197 -13.6197 -13.6182 -13.6182 -12.6321 -12.6321 -12.3302 -12.3302 -12.2943 -12.2943 -11.8494 -11.8494 -10.6515 -10.6515 -10.6208 -10.6208 -9.8612 -9.8612 -2.5505 -2.5505 -2.5374 -2.5374 0.2698 0.2698 0.3019 0.3019 1.1215 1.1215 2.2214 2.2214 2.2260 2.2260 2.2819 2.2819 2.9921 2.9921 4.6901 4.6901 4.7332 4.7332 4.7350 4.7350 4.9659 4.9659 5.3870 5.3870 5.3931 5.3931 5.6827 5.6827 5.9092 5.9092 5.9179 5.9179 11.5330 11.5330 11.5351 11.5351 13.6559 13.6559 13.7185 13.7185 14.0708 14.0708 14.2139 14.2139 k = 0.3333 0.5774 0.2297 ( 3768 PWs) bands (ev): -31.1989 -31.1989 -13.6102 -13.6102 -13.6101 -13.6101 -12.6448 -12.6448 -12.3442 -12.3442 -12.3109 -12.3109 -11.8361 -11.8361 -10.6442 -10.6442 -10.6123 -10.6123 -9.8647 -9.8647 -2.5511 -2.5511 -2.5381 -2.5381 0.2692 0.2692 0.3012 0.3012 1.1160 1.1160 2.2252 2.2252 2.2311 2.2311 2.2852 2.2852 2.9943 2.9943 4.6876 4.6876 4.7272 4.7272 4.7293 4.7293 4.9810 4.9810 5.3918 5.3918 5.3982 5.3982 5.6769 5.6769 5.9098 5.9098 5.9185 5.9185 11.5407 11.5407 11.5429 11.5429 13.6653 13.6653 13.7266 13.7266 14.0853 14.0853 14.1763 14.1763 k = 0.3333 0.5774 0.2450 ( 3759 PWs) bands (ev): -31.1989 -31.1989 -13.6022 -13.6022 -13.6010 -13.6010 -12.6574 -12.6574 -12.3587 -12.3587 -12.3265 -12.3265 -11.8204 -11.8204 -10.6379 -10.6379 -10.6048 -10.6048 -9.8695 -9.8695 -2.5516 -2.5516 -2.5385 -2.5385 0.2696 0.2696 0.3016 0.3016 1.1124 1.1124 2.2287 2.2287 2.2359 2.2359 2.2885 2.2885 2.9957 2.9957 4.6850 4.6850 4.7226 4.7226 4.7250 4.7250 4.9937 4.9937 5.3941 5.3941 5.4007 5.4007 5.6724 5.6724 5.9097 5.9097 5.9185 5.9185 11.5466 11.5466 11.5488 11.5488 13.6787 13.6787 13.7379 13.7379 14.1000 14.1000 14.1422 14.1422 k = 0.3333 0.5774 0.2604 ( 3759 PWs) bands (ev): -31.1989 -31.1989 -13.5946 -13.5946 -13.5921 -13.5921 -12.6699 -12.6699 -12.3734 -12.3734 -12.3409 -12.3409 -11.8028 -11.8028 -10.6324 -10.6324 -10.5983 -10.5983 -9.8754 -9.8754 -2.5519 -2.5519 -2.5389 -2.5389 0.2712 0.2712 0.3030 0.3030 1.1105 1.1105 2.2320 2.2320 2.2402 2.2402 2.2918 2.2918 2.9964 2.9964 4.6824 4.6824 4.7192 4.7192 4.7220 4.7220 5.0038 5.0038 5.3937 5.3937 5.4006 5.4006 5.6692 5.6692 5.9091 5.9091 5.9178 5.9178 11.5506 11.5506 11.5529 11.5529 13.6956 13.6956 13.7520 13.7520 14.1121 14.1121 14.1144 14.1144 k = 0.3333 0.5774 0.2757 ( 3765 PWs) bands (ev): -31.1989 -31.1989 -13.5874 -13.5874 -13.5836 -13.5836 -12.6819 -12.6819 -12.3880 -12.3880 -12.3541 -12.3541 -11.7834 -11.7834 -10.6279 -10.6279 -10.5929 -10.5929 -9.8825 -9.8825 -2.5521 -2.5521 -2.5390 -2.5390 0.2738 0.2738 0.3055 0.3055 1.1103 1.1103 2.2350 2.2350 2.2442 2.2442 2.2949 2.2949 2.9962 2.9962 4.6797 4.6797 4.7171 4.7171 4.7203 4.7203 5.0109 5.0109 5.3907 5.3907 5.3978 5.3978 5.6676 5.6676 5.9079 5.9079 5.9166 5.9166 11.5527 11.5527 11.5549 11.5549 13.7157 13.7157 13.7682 13.7682 14.0865 14.0865 14.1281 14.1281 k = 0.3333 0.5774 0.2910 ( 3777 PWs) bands (ev): -31.1989 -31.1989 -13.5808 -13.5808 -13.5757 -13.5757 -12.6933 -12.6933 -12.4024 -12.4024 -12.3659 -12.3659 -11.7626 -11.7626 -10.6244 -10.6244 -10.5886 -10.5886 -9.8908 -9.8908 -2.5520 -2.5520 -2.5390 -2.5390 0.2775 0.2775 0.3091 0.3091 1.1119 1.1119 2.2377 2.2377 2.2477 2.2477 2.2979 2.2979 2.9953 2.9953 4.6771 4.6771 4.7163 4.7163 4.7198 4.7198 5.0150 5.0150 5.3851 5.3851 5.3924 5.3924 5.6676 5.6676 5.9063 5.9063 5.9150 5.9150 11.5528 11.5528 11.5551 11.5551 13.7381 13.7381 13.7854 13.7854 14.0661 14.0661 14.1229 14.1229 k = 0.3333 0.5774 0.3063 ( 3789 PWs) bands (ev): -31.1989 -31.1989 -13.5747 -13.5747 -13.5686 -13.5686 -12.7040 -12.7040 -12.4163 -12.4163 -12.3761 -12.3761 -11.7407 -11.7407 -10.6219 -10.6219 -10.5855 -10.5855 -9.9001 -9.9001 -2.5518 -2.5518 -2.5388 -2.5388 0.2821 0.2821 0.3136 0.3136 1.1152 1.1152 2.2402 2.2402 2.2507 2.2507 2.3006 2.3006 2.9936 2.9936 4.6745 4.6745 4.7167 4.7167 4.7205 4.7205 5.0158 5.0158 5.3770 5.3770 5.3844 5.3844 5.6695 5.6695 5.9043 5.9043 5.9129 5.9129 11.5509 11.5509 11.5533 11.5533 13.7616 13.7616 13.8024 13.8024 14.0520 14.0520 14.1153 14.1153 k = 0.3333 0.5774 0.3216 ( 3789 PWs) bands (ev): -31.1989 -31.1989 -13.5693 -13.5693 -13.5622 -13.5622 -12.7137 -12.7137 -12.4295 -12.4295 -12.3846 -12.3846 -11.7178 -11.7178 -10.6204 -10.6204 -10.5835 -10.5835 -9.9105 -9.9105 -2.5514 -2.5514 -2.5385 -2.5385 0.2878 0.2878 0.3191 0.3191 1.1202 1.1202 2.2426 2.2426 2.2533 2.2533 2.3030 2.3030 2.9913 2.9913 4.6719 4.6719 4.7181 4.7181 4.7223 4.7223 5.0131 5.0131 5.3666 5.3666 5.3739 5.3739 5.6733 5.6733 5.9019 5.9019 5.9105 5.9105 11.5471 11.5471 11.5496 11.5496 13.7846 13.7846 13.8177 13.8177 14.0458 14.0458 14.1165 14.1165 k = 0.3333 0.5774 0.3369 ( 3801 PWs) bands (ev): -31.1989 -31.1989 -13.5647 -13.5647 -13.5568 -13.5568 -12.7224 -12.7224 -12.4419 -12.4419 -12.3914 -12.3914 -11.6942 -11.6942 -10.6199 -10.6199 -10.5826 -10.5826 -9.9217 -9.9217 -2.5508 -2.5508 -2.5379 -2.5379 0.2943 0.2943 0.3254 0.3254 1.1268 1.1268 2.2447 2.2447 2.2555 2.2555 2.3051 2.3051 2.9884 2.9884 4.6694 4.6694 4.7206 4.7206 4.7251 4.7251 5.0068 5.0068 5.3539 5.3539 5.3613 5.3613 5.6792 5.6792 5.8992 5.8992 5.9077 5.9077 11.5415 11.5415 11.5440 11.5440 13.8050 13.8050 13.8302 13.8302 14.0494 14.0494 14.1277 14.1277 k = 0.3333 0.5774 0.3522 ( 3810 PWs) bands (ev): -31.1989 -31.1989 -13.5610 -13.5610 -13.5524 -13.5524 -12.7300 -12.7300 -12.4532 -12.4532 -12.3964 -12.3964 -11.6700 -11.6700 -10.6204 -10.6204 -10.5829 -10.5829 -9.9339 -9.9339 -2.5500 -2.5500 -2.5372 -2.5372 0.3017 0.3017 0.3326 0.3326 1.1351 1.1351 2.2466 2.2466 2.2572 2.2572 2.3070 2.3070 2.9851 2.9851 4.6671 4.6671 4.7239 4.7239 4.7288 4.7288 4.9968 4.9968 5.3394 5.3394 5.3467 5.3467 5.6870 5.6870 5.8961 5.8961 5.9046 5.9046 11.5341 11.5341 11.5366 11.5366 13.8208 13.8208 13.8393 13.8393 14.0643 14.0643 14.1490 14.1490 k = 0.3333 0.5774 0.3676 ( 3807 PWs) bands (ev): -31.1988 -31.1988 -13.5581 -13.5581 -13.5492 -13.5492 -12.7364 -12.7364 -12.4633 -12.4633 -12.3994 -12.3994 -11.6455 -11.6455 -10.6219 -10.6219 -10.5844 -10.5844 -9.9469 -9.9469 -2.5491 -2.5491 -2.5364 -2.5364 0.3098 0.3098 0.3406 0.3406 1.1448 1.1448 2.2483 2.2483 2.2584 2.2584 2.3084 2.3084 2.9813 2.9813 4.6648 4.6648 4.7280 4.7280 4.7331 4.7331 4.9832 4.9832 5.3232 5.3232 5.3304 5.3304 5.6968 5.6968 5.8926 5.8926 5.9010 5.9010 11.5251 11.5251 11.5276 11.5276 13.8318 13.8318 13.8456 13.8456 14.0908 14.0908 14.1796 14.1796 k = 0.3333 0.5774 0.3829 ( 3801 PWs) bands (ev): -31.1988 -31.1988 -13.5563 -13.5563 -13.5472 -13.5472 -12.7417 -12.7417 -12.4720 -12.4720 -12.4004 -12.4004 -11.6209 -11.6209 -10.6244 -10.6244 -10.5869 -10.5869 -9.9605 -9.9605 -2.5481 -2.5481 -2.5354 -2.5354 0.3187 0.3187 0.3492 0.3492 1.1559 1.1559 2.2497 2.2497 2.2593 2.2593 2.3096 2.3096 2.9773 2.9773 4.6627 4.6627 4.7326 4.7326 4.7380 4.7380 4.9661 4.9661 5.3058 5.3058 5.3129 5.3129 5.7085 5.7085 5.8887 5.8887 5.8970 5.8970 11.5145 11.5145 11.5171 11.5171 13.8388 13.8388 13.8499 13.8499 14.1274 14.1274 14.2084 14.2084 k = 0.3333 0.5774 0.3982 ( 3789 PWs) bands (ev): -31.1988 -31.1988 -13.5554 -13.5554 -13.5464 -13.5464 -12.7459 -12.7459 -12.4791 -12.4791 -12.3994 -12.3994 -11.5962 -11.5962 -10.6279 -10.6279 -10.5905 -10.5905 -9.9747 -9.9747 -2.5469 -2.5469 -2.5343 -2.5343 0.3281 0.3281 0.3584 0.3584 1.1684 1.1684 2.2510 2.2510 2.2596 2.2596 2.3103 2.3103 2.9730 2.9730 4.6608 4.6608 4.7376 4.7376 4.7433 4.7433 4.9456 4.9456 5.2876 5.2876 5.2946 5.2946 5.7218 5.7218 5.8842 5.8842 5.8925 5.8925 11.5026 11.5026 11.5052 11.5052 13.8434 13.8434 13.8534 13.8534 14.1722 14.1722 14.2149 14.2149 k = 0.3333 0.5774 0.4135 ( 3777 PWs) bands (ev): -31.1988 -31.1988 -13.5556 -13.5556 -13.5469 -13.5469 -12.7492 -12.7492 -12.4846 -12.4846 -12.3963 -12.3963 -11.5717 -11.5717 -10.6323 -10.6323 -10.5952 -10.5952 -9.9894 -9.9894 -2.5456 -2.5456 -2.5331 -2.5331 0.3381 0.3381 0.3682 0.3682 1.1821 1.1821 2.2520 2.2520 2.2595 2.2595 2.3107 2.3107 2.9687 2.9687 4.6590 4.6590 4.7427 4.7427 4.7485 4.7485 4.9219 4.9219 5.2691 5.2691 5.2759 5.2759 5.7366 5.7366 5.8793 5.8793 5.8876 5.8876 11.4894 11.4894 11.4921 11.4921 13.8472 13.8472 13.8569 13.8569 14.2194 14.2194 14.2232 14.2232 k = 0.3333 0.5774 0.4288 ( 3777 PWs) bands (ev): -31.1988 -31.1988 -13.5568 -13.5568 -13.5486 -13.5486 -12.7515 -12.7515 -12.4881 -12.4881 -12.3913 -12.3913 -11.5476 -11.5476 -10.6376 -10.6376 -10.6010 -10.6010 -10.0044 -10.0044 -2.5441 -2.5441 -2.5317 -2.5317 0.3486 0.3486 0.3784 0.3784 1.1969 1.1969 2.2528 2.2528 2.2590 2.2590 2.3107 2.3107 2.9644 2.9644 4.6575 4.6575 4.7477 4.7477 4.7536 4.7536 4.8953 4.8953 5.2507 5.2507 5.2573 5.2573 5.7526 5.7526 5.8737 5.8737 5.8820 5.8820 11.4751 11.4751 11.4778 11.4778 13.8511 13.8511 13.8609 13.8609 14.2222 14.2222 14.2790 14.2790 k = 0.3333 0.5774 0.4441 ( 3780 PWs) bands (ev): -31.1988 -31.1988 -13.5589 -13.5589 -13.5515 -13.5515 -12.7532 -12.7532 -12.4898 -12.4898 -12.3844 -12.3844 -11.5240 -11.5240 -10.6438 -10.6438 -10.6077 -10.6077 -10.0196 -10.0196 -2.5426 -2.5426 -2.5303 -2.5303 0.3593 0.3593 0.3889 0.3889 1.2126 1.2126 2.2533 2.2533 2.2580 2.2580 2.3104 2.3104 2.9603 2.9603 4.6561 4.6561 4.7522 4.7522 4.7582 4.7582 4.8661 4.8661 5.2329 5.2329 5.2393 5.2393 5.7695 5.7695 5.8675 5.8675 5.8758 5.8758 11.4600 11.4600 11.4627 11.4627 13.8557 13.8557 13.8658 13.8658 14.2232 14.2232 14.3385 14.3385 k = 0.3333 0.5774 0.4594 ( 3780 PWs) bands (ev): -31.1988 -31.1988 -13.5620 -13.5620 -13.5556 -13.5556 -12.7542 -12.7542 -12.4893 -12.4893 -12.3756 -12.3756 -11.5011 -11.5011 -10.6508 -10.6508 -10.6154 -10.6154 -10.0349 -10.0349 -2.5410 -2.5410 -2.5288 -2.5288 0.3704 0.3704 0.3997 0.3997 1.2292 1.2292 2.2535 2.2535 2.2565 2.2565 2.3097 2.3097 2.9563 2.9563 4.6550 4.6550 4.7560 4.7560 4.7620 4.7620 4.8346 4.8346 5.2163 5.2163 5.2226 5.2226 5.7871 5.7871 5.8606 5.8606 5.8690 5.8690 11.4441 11.4441 11.4468 11.4468 13.8614 13.8614 13.8719 13.8719 14.2222 14.2222 14.4009 14.4009 k = 0.3333 0.5774 0.4748 ( 3780 PWs) bands (ev): -31.1988 -31.1988 -13.5660 -13.5660 -13.5607 -13.5607 -12.7548 -12.7548 -12.4867 -12.4867 -12.3650 -12.3650 -11.4790 -11.4790 -10.6586 -10.6586 -10.6241 -10.6241 -10.0500 -10.0500 -2.5393 -2.5393 -2.5272 -2.5272 0.3815 0.3815 0.4107 0.4107 1.2464 1.2464 2.2534 2.2534 2.2547 2.2547 2.3086 2.3086 2.9527 2.9527 4.6542 4.6542 4.7586 4.7586 4.7646 4.7646 4.8013 4.8013 5.2014 5.2014 5.2076 5.2076 5.8050 5.8050 5.8531 5.8531 5.8616 5.8616 11.4276 11.4276 11.4304 11.4304 13.8683 13.8683 13.8792 13.8792 14.2194 14.2194 14.4654 14.4654 Writing output data file CaxAsO3x2.save init_run : 0.20s CPU 0.38s WALL ( 1 calls) electrons : 283.32s CPU 287.45s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.00s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 283.31s CPU 287.44s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.03s CPU 0.06s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.05s WALL ( 310 calls) cegterg : 261.94s CPU 265.46s WALL ( 630 calls) Called by sum_band: Called by *egterg: h_psi : 130.66s CPU 133.04s WALL ( 9562 calls) s_psi : 6.64s CPU 6.61s WALL ( 9562 calls) g_psi : 0.30s CPU 0.39s WALL ( 8622 calls) cdiaghg : 104.97s CPU 106.29s WALL ( 8932 calls) cegterg:over : 11.48s CPU 11.54s WALL ( 8622 calls) cegterg:upda : 9.85s CPU 9.77s WALL ( 8622 calls) cegterg:last : 5.43s CPU 5.47s WALL ( 1700 calls) cdiaghg:chol : 5.83s CPU 6.08s WALL ( 8932 calls) cdiaghg:inve : 4.57s CPU 4.45s WALL ( 8932 calls) cdiaghg:para : 7.42s CPU 7.56s WALL ( 17864 calls) Called by h_psi: h_psi:vloc : 112.57s CPU 114.70s WALL ( 9562 calls) h_psi:vnl : 17.72s CPU 17.92s WALL ( 9562 calls) add_vuspsi : 8.12s CPU 8.04s WALL ( 9562 calls) General routines calbec : 9.54s CPU 9.86s WALL ( 9562 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 105.15s CPU 107.17s WALL ( 1350912 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.22s CPU 0.23s WALL ( 620 calls) Parallel routines fft_scatter : 38.91s CPU 39.59s WALL ( 1350935 calls) PWSCF : 5m 1.36s CPU 5m17.23s WALL This run was terminated on: 19:43:11 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=