Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 20:31: 3 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: ./As2PbO6.save/ file Pb.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D 5D 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 52 30 8 2078 912 140 Max 53 31 9 2085 927 147 Sum 1891 1099 313 74945 33111 5197 bravais-lattice index = 14 lattice parameter (alat) = 9.2026 a.u. unit-cell volume = 760.0166 (a.u.)^3 number of atoms/cell = 9 number of atomic types = 3 number of electrons = 60.00 number of Kohn-Sham states= 72 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)= 9.202588 celldm(2)= 1.000000 celldm(3)= 1.126063 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 1.126063 ) 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 0.888050 ) 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 Pb read from file: /users/gautes/Pseudo/Pb.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 75f9fe62f948a5acf869e43db2c29526 Pseudo is Ultrasoft + core correction, Zval = 14.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1281 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) Pb 14.00 207.20000 Pb( 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= 304 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032895 k( 2) = ( 0.0131579 0.0075967 -0.0000000), wk = 0.0032895 k( 3) = ( 0.0263158 0.0151934 -0.0000000), wk = 0.0032895 k( 4) = ( 0.0394737 0.0227901 -0.0000000), wk = 0.0032895 k( 5) = ( 0.0526316 0.0303869 -0.0000000), wk = 0.0032895 k( 6) = ( 0.0657895 0.0379836 -0.0000000), wk = 0.0032895 k( 7) = ( 0.0789474 0.0455803 -0.0000000), wk = 0.0032895 k( 8) = ( 0.0921053 0.0531770 -0.0000000), wk = 0.0032895 k( 9) = ( 0.1052632 0.0607737 -0.0000000), wk = 0.0032895 k( 10) = ( 0.1184210 0.0683704 -0.0000000), wk = 0.0032895 k( 11) = ( 0.1315790 0.0759671 -0.0000000), wk = 0.0032895 k( 12) = ( 0.1447368 0.0835639 -0.0000000), wk = 0.0032895 k( 13) = ( 0.1578947 0.0911606 -0.0000000), wk = 0.0032895 k( 14) = ( 0.1710526 0.0987573 -0.0000000), wk = 0.0032895 k( 15) = ( 0.1842105 0.1063540 -0.0000000), wk = 0.0032895 k( 16) = ( 0.1973684 0.1139507 -0.0000000), wk = 0.0032895 k( 17) = ( 0.2105263 0.1215474 -0.0000000), wk = 0.0032895 k( 18) = ( 0.2236842 0.1291441 -0.0000000), wk = 0.0032895 k( 19) = ( 0.2368421 0.1367409 -0.0000000), wk = 0.0032895 k( 20) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0032895 k( 21) = ( 0.2631579 0.1519343 -0.0000000), wk = 0.0032895 k( 22) = ( 0.2763158 0.1595310 -0.0000000), wk = 0.0032895 k( 23) = ( 0.2894737 0.1671277 -0.0000000), wk = 0.0032895 k( 24) = ( 0.3026316 0.1747244 -0.0000000), wk = 0.0032895 k( 25) = ( 0.3157895 0.1823211 -0.0000000), wk = 0.0032895 k( 26) = ( 0.3289474 0.1899179 -0.0000000), wk = 0.0032895 k( 27) = ( 0.3421053 0.1975146 -0.0000000), wk = 0.0032895 k( 28) = ( 0.3552632 0.2051113 -0.0000000), wk = 0.0032895 k( 29) = ( 0.3684211 0.2127080 -0.0000000), wk = 0.0032895 k( 30) = ( 0.3815789 0.2203047 -0.0000000), wk = 0.0032895 k( 31) = ( 0.3947368 0.2279014 -0.0000000), wk = 0.0032895 k( 32) = ( 0.4078947 0.2354981 -0.0000000), wk = 0.0032895 k( 33) = ( 0.4210526 0.2430948 -0.0000000), wk = 0.0032895 k( 34) = ( 0.4342105 0.2506916 -0.0000000), wk = 0.0032895 k( 35) = ( 0.4473684 0.2582883 -0.0000000), wk = 0.0032895 k( 36) = ( 0.4605263 0.2658850 -0.0000000), wk = 0.0032895 k( 37) = ( 0.4736842 0.2734817 -0.0000000), wk = 0.0032895 k( 38) = ( 0.4868421 0.2810784 -0.0000000), wk = 0.0032895 k( 39) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0032895 k( 40) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0032895 k( 41) = ( 0.4924242 0.3017967 -0.0000000), wk = 0.0032895 k( 42) = ( 0.4848485 0.3149183 -0.0000000), wk = 0.0032895 k( 43) = ( 0.4772727 0.3280399 -0.0000000), wk = 0.0032895 k( 44) = ( 0.4696970 0.3411615 -0.0000000), wk = 0.0032895 k( 45) = ( 0.4621212 0.3542831 -0.0000000), wk = 0.0032895 k( 46) = ( 0.4545455 0.3674047 -0.0000000), wk = 0.0032895 k( 47) = ( 0.4469697 0.3805263 -0.0000000), wk = 0.0032895 k( 48) = ( 0.4393939 0.3936479 -0.0000000), wk = 0.0032895 k( 49) = ( 0.4318182 0.4067695 -0.0000000), wk = 0.0032895 k( 50) = ( 0.4242424 0.4198911 -0.0000000), wk = 0.0032895 k( 51) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0032895 k( 52) = ( 0.4090909 0.4461343 -0.0000000), wk = 0.0032895 k( 53) = ( 0.4015151 0.4592559 -0.0000000), wk = 0.0032895 k( 54) = ( 0.3939394 0.4723775 -0.0000000), wk = 0.0032895 k( 55) = ( 0.3863636 0.4854991 -0.0000000), wk = 0.0032895 k( 56) = ( 0.3787879 0.4986207 -0.0000000), wk = 0.0032895 k( 57) = ( 0.3712121 0.5117423 -0.0000000), wk = 0.0032895 k( 58) = ( 0.3636364 0.5248639 -0.0000000), wk = 0.0032895 k( 59) = ( 0.3560606 0.5379855 -0.0000000), wk = 0.0032895 k( 60) = ( 0.3484849 0.5511071 -0.0000000), wk = 0.0032895 k( 61) = ( 0.3409091 0.5642287 -0.0000000), wk = 0.0032895 k( 62) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0032895 k( 63) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0032895 k( 64) = ( 0.3257576 0.5642287 -0.0000000), wk = 0.0032895 k( 65) = ( 0.3181818 0.5511071 -0.0000000), wk = 0.0032895 k( 66) = ( 0.3106061 0.5379855 -0.0000000), wk = 0.0032895 k( 67) = ( 0.3030303 0.5248639 -0.0000000), wk = 0.0032895 k( 68) = ( 0.2954545 0.5117423 -0.0000000), wk = 0.0032895 k( 69) = ( 0.2878788 0.4986207 -0.0000000), wk = 0.0032895 k( 70) = ( 0.2803030 0.4854991 -0.0000000), wk = 0.0032895 k( 71) = ( 0.2727273 0.4723775 -0.0000000), wk = 0.0032895 k( 72) = ( 0.2651515 0.4592559 -0.0000000), wk = 0.0032895 k( 73) = ( 0.2575758 0.4461343 -0.0000000), wk = 0.0032895 k( 74) = ( 0.2500000 0.4330127 -0.0000000), wk = 0.0032895 k( 75) = ( 0.2424242 0.4198911 -0.0000000), wk = 0.0032895 k( 76) = ( 0.2348485 0.4067695 -0.0000000), wk = 0.0032895 k( 77) = ( 0.2272727 0.3936479 -0.0000000), wk = 0.0032895 k( 78) = ( 0.2196970 0.3805263 -0.0000000), wk = 0.0032895 k( 79) = ( 0.2121212 0.3674047 -0.0000000), wk = 0.0032895 k( 80) = ( 0.2045454 0.3542831 -0.0000000), wk = 0.0032895 k( 81) = ( 0.1969697 0.3411615 -0.0000000), wk = 0.0032895 k( 82) = ( 0.1893939 0.3280399 -0.0000000), wk = 0.0032895 k( 83) = ( 0.1818182 0.3149183 -0.0000000), wk = 0.0032895 k( 84) = ( 0.1742424 0.3017967 -0.0000000), wk = 0.0032895 k( 85) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0032895 k( 86) = ( 0.1590909 0.2755535 -0.0000000), wk = 0.0032895 k( 87) = ( 0.1515151 0.2624319 -0.0000000), wk = 0.0032895 k( 88) = ( 0.1439394 0.2493103 -0.0000000), wk = 0.0032895 k( 89) = ( 0.1363636 0.2361888 -0.0000000), wk = 0.0032895 k( 90) = ( 0.1287879 0.2230672 -0.0000000), wk = 0.0032895 k( 91) = ( 0.1212121 0.2099456 -0.0000000), wk = 0.0032895 k( 92) = ( 0.1136364 0.1968239 -0.0000000), wk = 0.0032895 k( 93) = ( 0.1060606 0.1837024 -0.0000000), wk = 0.0032895 k( 94) = ( 0.0984848 0.1705808 -0.0000000), wk = 0.0032895 k( 95) = ( 0.0909091 0.1574592 -0.0000000), wk = 0.0032895 k( 96) = ( 0.0833333 0.1443376 -0.0000000), wk = 0.0032895 k( 97) = ( 0.0757576 0.1312160 -0.0000000), wk = 0.0032895 k( 98) = ( 0.0681818 0.1180944 -0.0000000), wk = 0.0032895 k( 99) = ( 0.0606061 0.1049728 -0.0000000), wk = 0.0032895 k( 100) = ( 0.0530303 0.0918512 -0.0000000), wk = 0.0032895 k( 101) = ( 0.0454546 0.0787296 -0.0000000), wk = 0.0032895 k( 102) = ( 0.0378788 0.0656080 -0.0000000), wk = 0.0032895 k( 103) = ( 0.0303030 0.0524864 -0.0000000), wk = 0.0032895 k( 104) = ( 0.0227273 0.0393648 -0.0000000), wk = 0.0032895 k( 105) = ( 0.0151515 0.0262432 -0.0000000), wk = 0.0032895 k( 106) = ( 0.0075758 0.0131216 -0.0000000), wk = 0.0032895 k( 107) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032895 k( 108) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032895 k( 109) = ( 0.0000000 0.0000000 0.0153112), wk = 0.0032895 k( 110) = ( 0.0000000 0.0000000 0.0306224), wk = 0.0032895 k( 111) = ( 0.0000000 0.0000000 0.0459336), wk = 0.0032895 k( 112) = ( 0.0000000 0.0000000 0.0612448), wk = 0.0032895 k( 113) = ( 0.0000000 0.0000000 0.0765560), wk = 0.0032895 k( 114) = ( 0.0000000 0.0000000 0.0918672), wk = 0.0032895 k( 115) = ( 0.0000000 0.0000000 0.1071785), wk = 0.0032895 k( 116) = ( 0.0000000 0.0000000 0.1224897), wk = 0.0032895 k( 117) = ( 0.0000000 0.0000000 0.1378009), wk = 0.0032895 k( 118) = ( 0.0000000 0.0000000 0.1531121), wk = 0.0032895 k( 119) = ( 0.0000000 0.0000000 0.1684233), wk = 0.0032895 k( 120) = ( 0.0000000 0.0000000 0.1837345), wk = 0.0032895 k( 121) = ( 0.0000000 0.0000000 0.1990457), wk = 0.0032895 k( 122) = ( 0.0000000 0.0000000 0.2143569), wk = 0.0032895 k( 123) = ( 0.0000000 0.0000000 0.2296681), wk = 0.0032895 k( 124) = ( 0.0000000 0.0000000 0.2449793), wk = 0.0032895 k( 125) = ( 0.0000000 0.0000000 0.2602905), wk = 0.0032895 k( 126) = ( 0.0000000 0.0000000 0.2756017), wk = 0.0032895 k( 127) = ( 0.0000000 0.0000000 0.2909129), wk = 0.0032895 k( 128) = ( 0.0000000 0.0000000 0.3062242), wk = 0.0032895 k( 129) = ( 0.0000000 0.0000000 0.3215354), wk = 0.0032895 k( 130) = ( 0.0000000 0.0000000 0.3368466), wk = 0.0032895 k( 131) = ( 0.0000000 0.0000000 0.3521578), wk = 0.0032895 k( 132) = ( 0.0000000 0.0000000 0.3674690), wk = 0.0032895 k( 133) = ( 0.0000000 0.0000000 0.3827802), wk = 0.0032895 k( 134) = ( 0.0000000 0.0000000 0.3980914), wk = 0.0032895 k( 135) = ( 0.0000000 0.0000000 0.4134026), wk = 0.0032895 k( 136) = ( 0.0000000 0.0000000 0.4287138), wk = 0.0032895 k( 137) = ( 0.0000000 0.0000000 0.4440250), wk = 0.0032895 k( 138) = ( 0.0000000 0.0000000 0.4440250), wk = 0.0032895 k( 139) = ( 0.0131579 0.0075967 0.4440250), wk = 0.0032895 k( 140) = ( 0.0263158 0.0151934 0.4440250), wk = 0.0032895 k( 141) = ( 0.0394737 0.0227901 0.4440250), wk = 0.0032895 k( 142) = ( 0.0526316 0.0303869 0.4440250), wk = 0.0032895 k( 143) = ( 0.0657895 0.0379836 0.4440250), wk = 0.0032895 k( 144) = ( 0.0789474 0.0455803 0.4440250), wk = 0.0032895 k( 145) = ( 0.0921053 0.0531770 0.4440250), wk = 0.0032895 k( 146) = ( 0.1052632 0.0607737 0.4440250), wk = 0.0032895 k( 147) = ( 0.1184210 0.0683704 0.4440250), wk = 0.0032895 k( 148) = ( 0.1315790 0.0759671 0.4440250), wk = 0.0032895 k( 149) = ( 0.1447368 0.0835639 0.4440250), wk = 0.0032895 k( 150) = ( 0.1578947 0.0911606 0.4440250), wk = 0.0032895 k( 151) = ( 0.1710526 0.0987573 0.4440250), wk = 0.0032895 k( 152) = ( 0.1842105 0.1063540 0.4440250), wk = 0.0032895 k( 153) = ( 0.1973684 0.1139507 0.4440250), wk = 0.0032895 k( 154) = ( 0.2105263 0.1215474 0.4440250), wk = 0.0032895 k( 155) = ( 0.2236842 0.1291441 0.4440250), wk = 0.0032895 k( 156) = ( 0.2368421 0.1367409 0.4440250), wk = 0.0032895 k( 157) = ( 0.2500000 0.1443376 0.4440250), wk = 0.0032895 k( 158) = ( 0.2631579 0.1519343 0.4440250), wk = 0.0032895 k( 159) = ( 0.2763158 0.1595310 0.4440250), wk = 0.0032895 k( 160) = ( 0.2894737 0.1671277 0.4440250), wk = 0.0032895 k( 161) = ( 0.3026316 0.1747244 0.4440250), wk = 0.0032895 k( 162) = ( 0.3157895 0.1823211 0.4440250), wk = 0.0032895 k( 163) = ( 0.3289474 0.1899179 0.4440250), wk = 0.0032895 k( 164) = ( 0.3421053 0.1975146 0.4440250), wk = 0.0032895 k( 165) = ( 0.3552632 0.2051113 0.4440250), wk = 0.0032895 k( 166) = ( 0.3684211 0.2127080 0.4440250), wk = 0.0032895 k( 167) = ( 0.3815789 0.2203047 0.4440250), wk = 0.0032895 k( 168) = ( 0.3947368 0.2279014 0.4440250), wk = 0.0032895 k( 169) = ( 0.4078947 0.2354981 0.4440250), wk = 0.0032895 k( 170) = ( 0.4210526 0.2430948 0.4440250), wk = 0.0032895 k( 171) = ( 0.4342105 0.2506916 0.4440250), wk = 0.0032895 k( 172) = ( 0.4473684 0.2582883 0.4440250), wk = 0.0032895 k( 173) = ( 0.4605263 0.2658850 0.4440250), wk = 0.0032895 k( 174) = ( 0.4736842 0.2734817 0.4440250), wk = 0.0032895 k( 175) = ( 0.4868421 0.2810784 0.4440250), wk = 0.0032895 k( 176) = ( 0.5000000 0.2886751 0.4440250), wk = 0.0032895 k( 177) = ( 0.5000000 0.2886751 0.4440250), wk = 0.0032895 k( 178) = ( 0.4924242 0.3017967 0.4440250), wk = 0.0032895 k( 179) = ( 0.4848485 0.3149183 0.4440250), wk = 0.0032895 k( 180) = ( 0.4772727 0.3280399 0.4440250), wk = 0.0032895 k( 181) = ( 0.4696970 0.3411615 0.4440250), wk = 0.0032895 k( 182) = ( 0.4621212 0.3542831 0.4440250), wk = 0.0032895 k( 183) = ( 0.4545455 0.3674047 0.4440250), wk = 0.0032895 k( 184) = ( 0.4469697 0.3805263 0.4440250), wk = 0.0032895 k( 185) = ( 0.4393939 0.3936479 0.4440250), wk = 0.0032895 k( 186) = ( 0.4318182 0.4067695 0.4440250), wk = 0.0032895 k( 187) = ( 0.4242424 0.4198911 0.4440250), wk = 0.0032895 k( 188) = ( 0.4166667 0.4330127 0.4440250), wk = 0.0032895 k( 189) = ( 0.4090909 0.4461343 0.4440250), wk = 0.0032895 k( 190) = ( 0.4015151 0.4592559 0.4440250), wk = 0.0032895 k( 191) = ( 0.3939394 0.4723775 0.4440250), wk = 0.0032895 k( 192) = ( 0.3863636 0.4854991 0.4440250), wk = 0.0032895 k( 193) = ( 0.3787879 0.4986207 0.4440250), wk = 0.0032895 k( 194) = ( 0.3712121 0.5117423 0.4440250), wk = 0.0032895 k( 195) = ( 0.3636364 0.5248639 0.4440250), wk = 0.0032895 k( 196) = ( 0.3560606 0.5379855 0.4440250), wk = 0.0032895 k( 197) = ( 0.3484849 0.5511071 0.4440250), wk = 0.0032895 k( 198) = ( 0.3409091 0.5642287 0.4440250), wk = 0.0032895 k( 199) = ( 0.3333333 0.5773503 0.4440250), wk = 0.0032895 k( 200) = ( 0.3333333 0.5773503 0.4440250), wk = 0.0032895 k( 201) = ( 0.3257576 0.5642287 0.4440250), wk = 0.0032895 k( 202) = ( 0.3181818 0.5511071 0.4440250), wk = 0.0032895 k( 203) = ( 0.3106061 0.5379855 0.4440250), wk = 0.0032895 k( 204) = ( 0.3030303 0.5248639 0.4440250), wk = 0.0032895 k( 205) = ( 0.2954545 0.5117423 0.4440250), wk = 0.0032895 k( 206) = ( 0.2878788 0.4986207 0.4440250), wk = 0.0032895 k( 207) = ( 0.2803030 0.4854991 0.4440250), wk = 0.0032895 k( 208) = ( 0.2727273 0.4723775 0.4440250), wk = 0.0032895 k( 209) = ( 0.2651515 0.4592559 0.4440250), wk = 0.0032895 k( 210) = ( 0.2575758 0.4461343 0.4440250), wk = 0.0032895 k( 211) = ( 0.2500000 0.4330127 0.4440250), wk = 0.0032895 k( 212) = ( 0.2424242 0.4198911 0.4440250), wk = 0.0032895 k( 213) = ( 0.2348485 0.4067695 0.4440250), wk = 0.0032895 k( 214) = ( 0.2272727 0.3936479 0.4440250), wk = 0.0032895 k( 215) = ( 0.2196970 0.3805263 0.4440250), wk = 0.0032895 k( 216) = ( 0.2121212 0.3674047 0.4440250), wk = 0.0032895 k( 217) = ( 0.2045454 0.3542831 0.4440250), wk = 0.0032895 k( 218) = ( 0.1969697 0.3411615 0.4440250), wk = 0.0032895 k( 219) = ( 0.1893939 0.3280399 0.4440250), wk = 0.0032895 k( 220) = ( 0.1818182 0.3149183 0.4440250), wk = 0.0032895 k( 221) = ( 0.1742424 0.3017967 0.4440250), wk = 0.0032895 k( 222) = ( 0.1666667 0.2886751 0.4440250), wk = 0.0032895 k( 223) = ( 0.1590909 0.2755535 0.4440250), wk = 0.0032895 k( 224) = ( 0.1515151 0.2624319 0.4440250), wk = 0.0032895 k( 225) = ( 0.1439394 0.2493103 0.4440250), wk = 0.0032895 k( 226) = ( 0.1363636 0.2361888 0.4440250), wk = 0.0032895 k( 227) = ( 0.1287879 0.2230672 0.4440250), wk = 0.0032895 k( 228) = ( 0.1212121 0.2099456 0.4440250), wk = 0.0032895 k( 229) = ( 0.1136364 0.1968239 0.4440250), wk = 0.0032895 k( 230) = ( 0.1060606 0.1837024 0.4440250), wk = 0.0032895 k( 231) = ( 0.0984848 0.1705808 0.4440250), wk = 0.0032895 k( 232) = ( 0.0909091 0.1574592 0.4440250), wk = 0.0032895 k( 233) = ( 0.0833333 0.1443376 0.4440250), wk = 0.0032895 k( 234) = ( 0.0757576 0.1312160 0.4440250), wk = 0.0032895 k( 235) = ( 0.0681818 0.1180944 0.4440250), wk = 0.0032895 k( 236) = ( 0.0606061 0.1049728 0.4440250), wk = 0.0032895 k( 237) = ( 0.0530303 0.0918512 0.4440250), wk = 0.0032895 k( 238) = ( 0.0454546 0.0787296 0.4440250), wk = 0.0032895 k( 239) = ( 0.0378788 0.0656080 0.4440250), wk = 0.0032895 k( 240) = ( 0.0303030 0.0524864 0.4440250), wk = 0.0032895 k( 241) = ( 0.0227273 0.0393648 0.4440250), wk = 0.0032895 k( 242) = ( 0.0151515 0.0262432 0.4440250), wk = 0.0032895 k( 243) = ( 0.0075758 0.0131216 0.4440250), wk = 0.0032895 k( 244) = ( 0.0000000 0.0000000 0.4440250), wk = 0.0032895 k( 245) = ( 0.5000000 0.2886751 0.4440250), wk = 0.0032895 k( 246) = ( 0.5000000 0.2886751 0.4287138), wk = 0.0032895 k( 247) = ( 0.5000000 0.2886751 0.4134026), wk = 0.0032895 k( 248) = ( 0.5000000 0.2886751 0.3980914), wk = 0.0032895 k( 249) = ( 0.5000000 0.2886751 0.3827802), wk = 0.0032895 k( 250) = ( 0.5000000 0.2886751 0.3674690), wk = 0.0032895 k( 251) = ( 0.5000000 0.2886751 0.3521578), wk = 0.0032895 k( 252) = ( 0.5000000 0.2886751 0.3368466), wk = 0.0032895 k( 253) = ( 0.5000000 0.2886751 0.3215354), wk = 0.0032895 k( 254) = ( 0.5000000 0.2886751 0.3062242), wk = 0.0032895 k( 255) = ( 0.5000000 0.2886751 0.2909129), wk = 0.0032895 k( 256) = ( 0.5000000 0.2886751 0.2756017), wk = 0.0032895 k( 257) = ( 0.5000000 0.2886751 0.2602905), wk = 0.0032895 k( 258) = ( 0.5000000 0.2886751 0.2449793), wk = 0.0032895 k( 259) = ( 0.5000000 0.2886751 0.2296681), wk = 0.0032895 k( 260) = ( 0.5000000 0.2886751 0.2143569), wk = 0.0032895 k( 261) = ( 0.5000000 0.2886751 0.1990457), wk = 0.0032895 k( 262) = ( 0.5000000 0.2886751 0.1837345), wk = 0.0032895 k( 263) = ( 0.5000000 0.2886751 0.1684233), wk = 0.0032895 k( 264) = ( 0.5000000 0.2886751 0.1531121), wk = 0.0032895 k( 265) = ( 0.5000000 0.2886751 0.1378009), wk = 0.0032895 k( 266) = ( 0.5000000 0.2886751 0.1224897), wk = 0.0032895 k( 267) = ( 0.5000000 0.2886751 0.1071785), wk = 0.0032895 k( 268) = ( 0.5000000 0.2886751 0.0918672), wk = 0.0032895 k( 269) = ( 0.5000000 0.2886751 0.0765560), wk = 0.0032895 k( 270) = ( 0.5000000 0.2886751 0.0612448), wk = 0.0032895 k( 271) = ( 0.5000000 0.2886751 0.0459336), wk = 0.0032895 k( 272) = ( 0.5000000 0.2886751 0.0306224), wk = 0.0032895 k( 273) = ( 0.5000000 0.2886751 0.0153112), wk = 0.0032895 k( 274) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0032895 k( 275) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0032895 k( 276) = ( 0.3333333 0.5773503 0.0153112), wk = 0.0032895 k( 277) = ( 0.3333333 0.5773503 0.0306224), wk = 0.0032895 k( 278) = ( 0.3333333 0.5773503 0.0459336), wk = 0.0032895 k( 279) = ( 0.3333333 0.5773503 0.0612448), wk = 0.0032895 k( 280) = ( 0.3333333 0.5773503 0.0765560), wk = 0.0032895 k( 281) = ( 0.3333333 0.5773503 0.0918672), wk = 0.0032895 k( 282) = ( 0.3333333 0.5773503 0.1071785), wk = 0.0032895 k( 283) = ( 0.3333333 0.5773503 0.1224897), wk = 0.0032895 k( 284) = ( 0.3333333 0.5773503 0.1378009), wk = 0.0032895 k( 285) = ( 0.3333333 0.5773503 0.1531121), wk = 0.0032895 k( 286) = ( 0.3333333 0.5773503 0.1684233), wk = 0.0032895 k( 287) = ( 0.3333333 0.5773503 0.1837345), wk = 0.0032895 k( 288) = ( 0.3333333 0.5773503 0.1990457), wk = 0.0032895 k( 289) = ( 0.3333333 0.5773503 0.2143569), wk = 0.0032895 k( 290) = ( 0.3333333 0.5773503 0.2296681), wk = 0.0032895 k( 291) = ( 0.3333333 0.5773503 0.2449793), wk = 0.0032895 k( 292) = ( 0.3333333 0.5773503 0.2602905), wk = 0.0032895 k( 293) = ( 0.3333333 0.5773503 0.2756017), wk = 0.0032895 k( 294) = ( 0.3333333 0.5773503 0.2909129), wk = 0.0032895 k( 295) = ( 0.3333333 0.5773503 0.3062242), wk = 0.0032895 k( 296) = ( 0.3333333 0.5773503 0.3215354), wk = 0.0032895 k( 297) = ( 0.3333333 0.5773503 0.3368466), wk = 0.0032895 k( 298) = ( 0.3333333 0.5773503 0.3521578), wk = 0.0032895 k( 299) = ( 0.3333333 0.5773503 0.3674690), wk = 0.0032895 k( 300) = ( 0.3333333 0.5773503 0.3827802), wk = 0.0032895 k( 301) = ( 0.3333333 0.5773503 0.3980914), wk = 0.0032895 k( 302) = ( 0.3333333 0.5773503 0.4134026), wk = 0.0032895 k( 303) = ( 0.3333333 0.5773503 0.4287138), wk = 0.0032895 k( 304) = ( 0.3333333 0.5773503 0.4440250), wk = 0.0032895 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032895 k( 2) = ( 0.0131579 -0.0000000 -0.0000000), wk = 0.0032895 k( 3) = ( 0.0263158 -0.0000000 -0.0000000), wk = 0.0032895 k( 4) = ( 0.0394737 -0.0000000 0.0000000), wk = 0.0032895 k( 5) = ( 0.0526316 -0.0000000 -0.0000000), wk = 0.0032895 k( 6) = ( 0.0657895 -0.0000000 -0.0000000), wk = 0.0032895 k( 7) = ( 0.0789474 -0.0000000 -0.0000000), wk = 0.0032895 k( 8) = ( 0.0921053 -0.0000000 -0.0000000), wk = 0.0032895 k( 9) = ( 0.1052632 -0.0000000 -0.0000000), wk = 0.0032895 k( 10) = ( 0.1184210 -0.0000000 -0.0000000), wk = 0.0032895 k( 11) = ( 0.1315790 -0.0000000 0.0000000), wk = 0.0032895 k( 12) = ( 0.1447368 -0.0000000 0.0000000), wk = 0.0032895 k( 13) = ( 0.1578947 -0.0000000 -0.0000000), wk = 0.0032895 k( 14) = ( 0.1710526 0.0000000 -0.0000000), wk = 0.0032895 k( 15) = ( 0.1842105 -0.0000000 -0.0000000), wk = 0.0032895 k( 16) = ( 0.1973684 -0.0000000 -0.0000000), wk = 0.0032895 k( 17) = ( 0.2105263 -0.0000000 -0.0000000), wk = 0.0032895 k( 18) = ( 0.2236842 -0.0000000 -0.0000000), wk = 0.0032895 k( 19) = ( 0.2368421 -0.0000000 0.0000000), wk = 0.0032895 k( 20) = ( 0.2500000 -0.0000000 -0.0000000), wk = 0.0032895 k( 21) = ( 0.2631579 -0.0000000 -0.0000000), wk = 0.0032895 k( 22) = ( 0.2763158 -0.0000000 -0.0000000), wk = 0.0032895 k( 23) = ( 0.2894737 -0.0000000 0.0000000), wk = 0.0032895 k( 24) = ( 0.3026316 -0.0000000 -0.0000000), wk = 0.0032895 k( 25) = ( 0.3157895 -0.0000000 -0.0000000), wk = 0.0032895 k( 26) = ( 0.3289474 -0.0000000 0.0000000), wk = 0.0032895 k( 27) = ( 0.3421053 0.0000000 -0.0000000), wk = 0.0032895 k( 28) = ( 0.3552632 -0.0000000 -0.0000000), wk = 0.0032895 k( 29) = ( 0.3684211 -0.0000000 -0.0000000), wk = 0.0032895 k( 30) = ( 0.3815789 -0.0000000 0.0000000), wk = 0.0032895 k( 31) = ( 0.3947368 -0.0000000 -0.0000000), wk = 0.0032895 k( 32) = ( 0.4078947 -0.0000000 -0.0000000), wk = 0.0032895 k( 33) = ( 0.4210526 -0.0000000 -0.0000000), wk = 0.0032895 k( 34) = ( 0.4342105 -0.0000000 -0.0000000), wk = 0.0032895 k( 35) = ( 0.4473684 -0.0000000 -0.0000000), wk = 0.0032895 k( 36) = ( 0.4605263 -0.0000000 -0.0000000), wk = 0.0032895 k( 37) = ( 0.4736842 -0.0000000 -0.0000000), wk = 0.0032895 k( 38) = ( 0.4868421 -0.0000000 -0.0000000), wk = 0.0032895 k( 39) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0032895 k( 40) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0032895 k( 41) = ( 0.4924242 0.0151515 -0.0000000), wk = 0.0032895 k( 42) = ( 0.4848485 0.0303030 -0.0000000), wk = 0.0032895 k( 43) = ( 0.4772727 0.0454545 -0.0000000), wk = 0.0032895 k( 44) = ( 0.4696970 0.0606061 0.0000000), wk = 0.0032895 k( 45) = ( 0.4621212 0.0757576 -0.0000000), wk = 0.0032895 k( 46) = ( 0.4545455 0.0909091 -0.0000000), wk = 0.0032895 k( 47) = ( 0.4469697 0.1060606 -0.0000000), wk = 0.0032895 k( 48) = ( 0.4393939 0.1212121 -0.0000000), wk = 0.0032895 k( 49) = ( 0.4318182 0.1363636 -0.0000000), wk = 0.0032895 k( 50) = ( 0.4242424 0.1515151 0.0000000), wk = 0.0032895 k( 51) = ( 0.4166667 0.1666667 0.0000000), wk = 0.0032895 k( 52) = ( 0.4090909 0.1818182 -0.0000000), wk = 0.0032895 k( 53) = ( 0.4015151 0.1969697 0.0000000), wk = 0.0032895 k( 54) = ( 0.3939394 0.2121212 -0.0000000), wk = 0.0032895 k( 55) = ( 0.3863636 0.2272727 -0.0000000), wk = 0.0032895 k( 56) = ( 0.3787879 0.2424242 0.0000000), wk = 0.0032895 k( 57) = ( 0.3712121 0.2575758 -0.0000000), wk = 0.0032895 k( 58) = ( 0.3636364 0.2727273 -0.0000000), wk = 0.0032895 k( 59) = ( 0.3560606 0.2878788 0.0000000), wk = 0.0032895 k( 60) = ( 0.3484849 0.3030303 -0.0000000), wk = 0.0032895 k( 61) = ( 0.3409091 0.3181818 -0.0000000), wk = 0.0032895 k( 62) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0032895 k( 63) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0032895 k( 64) = ( 0.3257576 0.3257576 -0.0000000), wk = 0.0032895 k( 65) = ( 0.3181818 0.3181818 0.0000000), wk = 0.0032895 k( 66) = ( 0.3106061 0.3106061 0.0000000), wk = 0.0032895 k( 67) = ( 0.3030303 0.3030303 0.0000000), wk = 0.0032895 k( 68) = ( 0.2954545 0.2954545 -0.0000000), wk = 0.0032895 k( 69) = ( 0.2878788 0.2878788 0.0000000), wk = 0.0032895 k( 70) = ( 0.2803030 0.2803030 -0.0000000), wk = 0.0032895 k( 71) = ( 0.2727273 0.2727273 -0.0000000), wk = 0.0032895 k( 72) = ( 0.2651515 0.2651515 0.0000000), wk = 0.0032895 k( 73) = ( 0.2575758 0.2575758 -0.0000000), wk = 0.0032895 k( 74) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0032895 k( 75) = ( 0.2424242 0.2424242 -0.0000000), wk = 0.0032895 k( 76) = ( 0.2348485 0.2348485 0.0000000), wk = 0.0032895 k( 77) = ( 0.2272727 0.2272727 -0.0000000), wk = 0.0032895 k( 78) = ( 0.2196970 0.2196970 0.0000000), wk = 0.0032895 k( 79) = ( 0.2121212 0.2121212 -0.0000000), wk = 0.0032895 k( 80) = ( 0.2045454 0.2045454 -0.0000000), wk = 0.0032895 k( 81) = ( 0.1969697 0.1969697 0.0000000), wk = 0.0032895 k( 82) = ( 0.1893939 0.1893939 0.0000000), wk = 0.0032895 k( 83) = ( 0.1818182 0.1818182 -0.0000000), wk = 0.0032895 k( 84) = ( 0.1742424 0.1742424 0.0000000), wk = 0.0032895 k( 85) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0032895 k( 86) = ( 0.1590909 0.1590909 0.0000000), wk = 0.0032895 k( 87) = ( 0.1515151 0.1515151 0.0000000), wk = 0.0032895 k( 88) = ( 0.1439394 0.1439394 -0.0000000), wk = 0.0032895 k( 89) = ( 0.1363636 0.1363636 -0.0000000), wk = 0.0032895 k( 90) = ( 0.1287879 0.1287879 -0.0000000), wk = 0.0032895 k( 91) = ( 0.1212121 0.1212121 -0.0000000), wk = 0.0032895 k( 92) = ( 0.1136364 0.1136364 -0.0000000), wk = 0.0032895 k( 93) = ( 0.1060606 0.1060606 -0.0000000), wk = 0.0032895 k( 94) = ( 0.0984848 0.0984849 0.0000000), wk = 0.0032895 k( 95) = ( 0.0909091 0.0909091 -0.0000000), wk = 0.0032895 k( 96) = ( 0.0833333 0.0833333 0.0000000), wk = 0.0032895 k( 97) = ( 0.0757576 0.0757576 0.0000000), wk = 0.0032895 k( 98) = ( 0.0681818 0.0681818 -0.0000000), wk = 0.0032895 k( 99) = ( 0.0606061 0.0606061 -0.0000000), wk = 0.0032895 k( 100) = ( 0.0530303 0.0530303 -0.0000000), wk = 0.0032895 k( 101) = ( 0.0454546 0.0454545 0.0000000), wk = 0.0032895 k( 102) = ( 0.0378788 0.0378788 0.0000000), wk = 0.0032895 k( 103) = ( 0.0303030 0.0303030 -0.0000000), wk = 0.0032895 k( 104) = ( 0.0227273 0.0227273 -0.0000000), wk = 0.0032895 k( 105) = ( 0.0151515 0.0151515 -0.0000000), wk = 0.0032895 k( 106) = ( 0.0075758 0.0075758 -0.0000000), wk = 0.0032895 k( 107) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032895 k( 108) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032895 k( 109) = ( 0.0000000 0.0000000 0.0172414), wk = 0.0032895 k( 110) = ( 0.0000000 0.0000000 0.0344828), wk = 0.0032895 k( 111) = ( 0.0000000 0.0000000 0.0517241), wk = 0.0032895 k( 112) = ( 0.0000000 0.0000000 0.0689655), wk = 0.0032895 k( 113) = ( 0.0000000 0.0000000 0.0862069), wk = 0.0032895 k( 114) = ( 0.0000000 0.0000000 0.1034483), wk = 0.0032895 k( 115) = ( 0.0000000 0.0000000 0.1206897), wk = 0.0032895 k( 116) = ( 0.0000000 0.0000000 0.1379310), wk = 0.0032895 k( 117) = ( 0.0000000 0.0000000 0.1551724), wk = 0.0032895 k( 118) = ( 0.0000000 0.0000000 0.1724138), wk = 0.0032895 k( 119) = ( 0.0000000 0.0000000 0.1896552), wk = 0.0032895 k( 120) = ( 0.0000000 0.0000000 0.2068966), wk = 0.0032895 k( 121) = ( 0.0000000 0.0000000 0.2241379), wk = 0.0032895 k( 122) = ( 0.0000000 0.0000000 0.2413793), wk = 0.0032895 k( 123) = ( 0.0000000 0.0000000 0.2586207), wk = 0.0032895 k( 124) = ( 0.0000000 0.0000000 0.2758621), wk = 0.0032895 k( 125) = ( 0.0000000 0.0000000 0.2931034), wk = 0.0032895 k( 126) = ( 0.0000000 0.0000000 0.3103448), wk = 0.0032895 k( 127) = ( 0.0000000 0.0000000 0.3275862), wk = 0.0032895 k( 128) = ( 0.0000000 0.0000000 0.3448276), wk = 0.0032895 k( 129) = ( 0.0000000 0.0000000 0.3620690), wk = 0.0032895 k( 130) = ( 0.0000000 0.0000000 0.3793103), wk = 0.0032895 k( 131) = ( 0.0000000 0.0000000 0.3965517), wk = 0.0032895 k( 132) = ( 0.0000000 0.0000000 0.4137931), wk = 0.0032895 k( 133) = ( 0.0000000 0.0000000 0.4310345), wk = 0.0032895 k( 134) = ( 0.0000000 0.0000000 0.4482759), wk = 0.0032895 k( 135) = ( 0.0000000 0.0000000 0.4655172), wk = 0.0032895 k( 136) = ( 0.0000000 0.0000000 0.4827586), wk = 0.0032895 k( 137) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032895 k( 138) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032895 k( 139) = ( 0.0131579 -0.0000000 0.5000000), wk = 0.0032895 k( 140) = ( 0.0263158 -0.0000000 0.5000000), wk = 0.0032895 k( 141) = ( 0.0394737 -0.0000000 0.5000000), wk = 0.0032895 k( 142) = ( 0.0526316 -0.0000000 0.5000000), wk = 0.0032895 k( 143) = ( 0.0657895 -0.0000000 0.5000000), wk = 0.0032895 k( 144) = ( 0.0789474 -0.0000000 0.5000000), wk = 0.0032895 k( 145) = ( 0.0921053 -0.0000000 0.5000000), wk = 0.0032895 k( 146) = ( 0.1052632 -0.0000000 0.5000000), wk = 0.0032895 k( 147) = ( 0.1184210 -0.0000000 0.5000000), wk = 0.0032895 k( 148) = ( 0.1315790 -0.0000000 0.5000000), wk = 0.0032895 k( 149) = ( 0.1447368 -0.0000000 0.5000000), wk = 0.0032895 k( 150) = ( 0.1578947 -0.0000000 0.5000000), wk = 0.0032895 k( 151) = ( 0.1710526 0.0000000 0.5000000), wk = 0.0032895 k( 152) = ( 0.1842105 -0.0000000 0.5000000), wk = 0.0032895 k( 153) = ( 0.1973684 -0.0000000 0.5000000), wk = 0.0032895 k( 154) = ( 0.2105263 -0.0000000 0.5000000), wk = 0.0032895 k( 155) = ( 0.2236842 -0.0000000 0.5000000), wk = 0.0032895 k( 156) = ( 0.2368421 -0.0000000 0.5000000), wk = 0.0032895 k( 157) = ( 0.2500000 -0.0000000 0.5000000), wk = 0.0032895 k( 158) = ( 0.2631579 -0.0000000 0.5000000), wk = 0.0032895 k( 159) = ( 0.2763158 -0.0000000 0.5000000), wk = 0.0032895 k( 160) = ( 0.2894737 -0.0000000 0.5000000), wk = 0.0032895 k( 161) = ( 0.3026316 -0.0000000 0.5000000), wk = 0.0032895 k( 162) = ( 0.3157895 -0.0000000 0.5000000), wk = 0.0032895 k( 163) = ( 0.3289474 -0.0000000 0.5000000), wk = 0.0032895 k( 164) = ( 0.3421053 0.0000000 0.5000000), wk = 0.0032895 k( 165) = ( 0.3552632 -0.0000000 0.5000000), wk = 0.0032895 k( 166) = ( 0.3684211 -0.0000000 0.5000000), wk = 0.0032895 k( 167) = ( 0.3815789 -0.0000000 0.5000000), wk = 0.0032895 k( 168) = ( 0.3947368 -0.0000000 0.5000000), wk = 0.0032895 k( 169) = ( 0.4078947 -0.0000000 0.5000000), wk = 0.0032895 k( 170) = ( 0.4210526 -0.0000000 0.5000000), wk = 0.0032895 k( 171) = ( 0.4342105 -0.0000000 0.5000000), wk = 0.0032895 k( 172) = ( 0.4473684 -0.0000000 0.5000000), wk = 0.0032895 k( 173) = ( 0.4605263 -0.0000000 0.5000000), wk = 0.0032895 k( 174) = ( 0.4736842 -0.0000000 0.5000000), wk = 0.0032895 k( 175) = ( 0.4868421 -0.0000000 0.5000000), wk = 0.0032895 k( 176) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0032895 k( 177) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0032895 k( 178) = ( 0.4924242 0.0151515 0.5000000), wk = 0.0032895 k( 179) = ( 0.4848485 0.0303030 0.5000000), wk = 0.0032895 k( 180) = ( 0.4772727 0.0454545 0.5000000), wk = 0.0032895 k( 181) = ( 0.4696970 0.0606061 0.5000000), wk = 0.0032895 k( 182) = ( 0.4621212 0.0757576 0.5000000), wk = 0.0032895 k( 183) = ( 0.4545455 0.0909091 0.5000000), wk = 0.0032895 k( 184) = ( 0.4469697 0.1060606 0.5000000), wk = 0.0032895 k( 185) = ( 0.4393939 0.1212121 0.5000000), wk = 0.0032895 k( 186) = ( 0.4318182 0.1363636 0.5000000), wk = 0.0032895 k( 187) = ( 0.4242424 0.1515151 0.5000000), wk = 0.0032895 k( 188) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0032895 k( 189) = ( 0.4090909 0.1818182 0.5000000), wk = 0.0032895 k( 190) = ( 0.4015151 0.1969697 0.5000000), wk = 0.0032895 k( 191) = ( 0.3939394 0.2121212 0.5000000), wk = 0.0032895 k( 192) = ( 0.3863636 0.2272727 0.5000000), wk = 0.0032895 k( 193) = ( 0.3787879 0.2424242 0.5000000), wk = 0.0032895 k( 194) = ( 0.3712121 0.2575758 0.5000000), wk = 0.0032895 k( 195) = ( 0.3636364 0.2727273 0.5000000), wk = 0.0032895 k( 196) = ( 0.3560606 0.2878788 0.5000000), wk = 0.0032895 k( 197) = ( 0.3484849 0.3030303 0.5000000), wk = 0.0032895 k( 198) = ( 0.3409091 0.3181818 0.5000000), wk = 0.0032895 k( 199) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0032895 k( 200) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0032895 k( 201) = ( 0.3257576 0.3257576 0.5000000), wk = 0.0032895 k( 202) = ( 0.3181818 0.3181818 0.5000000), wk = 0.0032895 k( 203) = ( 0.3106061 0.3106061 0.5000000), wk = 0.0032895 k( 204) = ( 0.3030303 0.3030303 0.5000000), wk = 0.0032895 k( 205) = ( 0.2954545 0.2954545 0.5000000), wk = 0.0032895 k( 206) = ( 0.2878788 0.2878788 0.5000000), wk = 0.0032895 k( 207) = ( 0.2803030 0.2803030 0.5000000), wk = 0.0032895 k( 208) = ( 0.2727273 0.2727273 0.5000000), wk = 0.0032895 k( 209) = ( 0.2651515 0.2651515 0.5000000), wk = 0.0032895 k( 210) = ( 0.2575758 0.2575758 0.5000000), wk = 0.0032895 k( 211) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0032895 k( 212) = ( 0.2424242 0.2424242 0.5000000), wk = 0.0032895 k( 213) = ( 0.2348485 0.2348485 0.5000000), wk = 0.0032895 k( 214) = ( 0.2272727 0.2272727 0.5000000), wk = 0.0032895 k( 215) = ( 0.2196970 0.2196970 0.5000000), wk = 0.0032895 k( 216) = ( 0.2121212 0.2121212 0.5000000), wk = 0.0032895 k( 217) = ( 0.2045454 0.2045454 0.5000000), wk = 0.0032895 k( 218) = ( 0.1969697 0.1969697 0.5000000), wk = 0.0032895 k( 219) = ( 0.1893939 0.1893939 0.5000000), wk = 0.0032895 k( 220) = ( 0.1818182 0.1818182 0.5000000), wk = 0.0032895 k( 221) = ( 0.1742424 0.1742424 0.5000000), wk = 0.0032895 k( 222) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0032895 k( 223) = ( 0.1590909 0.1590909 0.5000000), wk = 0.0032895 k( 224) = ( 0.1515151 0.1515151 0.5000000), wk = 0.0032895 k( 225) = ( 0.1439394 0.1439394 0.5000000), wk = 0.0032895 k( 226) = ( 0.1363636 0.1363636 0.5000000), wk = 0.0032895 k( 227) = ( 0.1287879 0.1287879 0.5000000), wk = 0.0032895 k( 228) = ( 0.1212121 0.1212121 0.5000000), wk = 0.0032895 k( 229) = ( 0.1136364 0.1136364 0.5000000), wk = 0.0032895 k( 230) = ( 0.1060606 0.1060606 0.5000000), wk = 0.0032895 k( 231) = ( 0.0984848 0.0984849 0.5000000), wk = 0.0032895 k( 232) = ( 0.0909091 0.0909091 0.5000000), wk = 0.0032895 k( 233) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0032895 k( 234) = ( 0.0757576 0.0757576 0.5000000), wk = 0.0032895 k( 235) = ( 0.0681818 0.0681818 0.5000000), wk = 0.0032895 k( 236) = ( 0.0606061 0.0606061 0.5000000), wk = 0.0032895 k( 237) = ( 0.0530303 0.0530303 0.5000000), wk = 0.0032895 k( 238) = ( 0.0454546 0.0454545 0.5000000), wk = 0.0032895 k( 239) = ( 0.0378788 0.0378788 0.5000000), wk = 0.0032895 k( 240) = ( 0.0303030 0.0303030 0.5000000), wk = 0.0032895 k( 241) = ( 0.0227273 0.0227273 0.5000000), wk = 0.0032895 k( 242) = ( 0.0151515 0.0151515 0.5000000), wk = 0.0032895 k( 243) = ( 0.0075758 0.0075758 0.5000000), wk = 0.0032895 k( 244) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032895 k( 245) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0032895 k( 246) = ( 0.5000000 -0.0000000 0.4827586), wk = 0.0032895 k( 247) = ( 0.5000000 -0.0000000 0.4655172), wk = 0.0032895 k( 248) = ( 0.5000000 -0.0000000 0.4482759), wk = 0.0032895 k( 249) = ( 0.5000000 -0.0000000 0.4310345), wk = 0.0032895 k( 250) = ( 0.5000000 -0.0000000 0.4137931), wk = 0.0032895 k( 251) = ( 0.5000000 -0.0000000 0.3965517), wk = 0.0032895 k( 252) = ( 0.5000000 -0.0000000 0.3793103), wk = 0.0032895 k( 253) = ( 0.5000000 -0.0000000 0.3620690), wk = 0.0032895 k( 254) = ( 0.5000000 -0.0000000 0.3448276), wk = 0.0032895 k( 255) = ( 0.5000000 -0.0000000 0.3275862), wk = 0.0032895 k( 256) = ( 0.5000000 -0.0000000 0.3103448), wk = 0.0032895 k( 257) = ( 0.5000000 -0.0000000 0.2931034), wk = 0.0032895 k( 258) = ( 0.5000000 -0.0000000 0.2758621), wk = 0.0032895 k( 259) = ( 0.5000000 -0.0000000 0.2586207), wk = 0.0032895 k( 260) = ( 0.5000000 -0.0000000 0.2413793), wk = 0.0032895 k( 261) = ( 0.5000000 -0.0000000 0.2241379), wk = 0.0032895 k( 262) = ( 0.5000000 -0.0000000 0.2068965), wk = 0.0032895 k( 263) = ( 0.5000000 -0.0000000 0.1896552), wk = 0.0032895 k( 264) = ( 0.5000000 -0.0000000 0.1724138), wk = 0.0032895 k( 265) = ( 0.5000000 -0.0000000 0.1551724), wk = 0.0032895 k( 266) = ( 0.5000000 -0.0000000 0.1379310), wk = 0.0032895 k( 267) = ( 0.5000000 -0.0000000 0.1206897), wk = 0.0032895 k( 268) = ( 0.5000000 -0.0000000 0.1034483), wk = 0.0032895 k( 269) = ( 0.5000000 -0.0000000 0.0862069), wk = 0.0032895 k( 270) = ( 0.5000000 -0.0000000 0.0689655), wk = 0.0032895 k( 271) = ( 0.5000000 -0.0000000 0.0517241), wk = 0.0032895 k( 272) = ( 0.5000000 -0.0000000 0.0344828), wk = 0.0032895 k( 273) = ( 0.5000000 -0.0000000 0.0172414), wk = 0.0032895 k( 274) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0032895 k( 275) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0032895 k( 276) = ( 0.3333333 0.3333333 0.0172414), wk = 0.0032895 k( 277) = ( 0.3333333 0.3333333 0.0344828), wk = 0.0032895 k( 278) = ( 0.3333333 0.3333333 0.0517241), wk = 0.0032895 k( 279) = ( 0.3333333 0.3333333 0.0689655), wk = 0.0032895 k( 280) = ( 0.3333333 0.3333333 0.0862069), wk = 0.0032895 k( 281) = ( 0.3333333 0.3333333 0.1034483), wk = 0.0032895 k( 282) = ( 0.3333333 0.3333333 0.1206897), wk = 0.0032895 k( 283) = ( 0.3333333 0.3333333 0.1379310), wk = 0.0032895 k( 284) = ( 0.3333333 0.3333333 0.1551724), wk = 0.0032895 k( 285) = ( 0.3333333 0.3333333 0.1724138), wk = 0.0032895 k( 286) = ( 0.3333333 0.3333333 0.1896552), wk = 0.0032895 k( 287) = ( 0.3333333 0.3333333 0.2068965), wk = 0.0032895 k( 288) = ( 0.3333333 0.3333333 0.2241379), wk = 0.0032895 k( 289) = ( 0.3333333 0.3333333 0.2413793), wk = 0.0032895 k( 290) = ( 0.3333333 0.3333333 0.2586207), wk = 0.0032895 k( 291) = ( 0.3333333 0.3333333 0.2758621), wk = 0.0032895 k( 292) = ( 0.3333333 0.3333333 0.2931034), wk = 0.0032895 k( 293) = ( 0.3333333 0.3333333 0.3103448), wk = 0.0032895 k( 294) = ( 0.3333333 0.3333333 0.3275862), wk = 0.0032895 k( 295) = ( 0.3333333 0.3333333 0.3448276), wk = 0.0032895 k( 296) = ( 0.3333333 0.3333333 0.3620690), wk = 0.0032895 k( 297) = ( 0.3333333 0.3333333 0.3793103), wk = 0.0032895 k( 298) = ( 0.3333333 0.3333333 0.3965517), wk = 0.0032895 k( 299) = ( 0.3333333 0.3333333 0.4137931), wk = 0.0032895 k( 300) = ( 0.3333333 0.3333333 0.4310345), wk = 0.0032895 k( 301) = ( 0.3333333 0.3333333 0.4482759), wk = 0.0032895 k( 302) = ( 0.3333333 0.3333333 0.4655172), wk = 0.0032895 k( 303) = ( 0.3333333 0.3333333 0.4827586), wk = 0.0032895 k( 304) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0032895 Dense grid: 74945 G-vectors FFT dimensions: ( 54, 54, 60) Smooth grid: 33111 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.26 Mb ( 240, 72) NL pseudopotentials 0.27 Mb ( 120, 146) Each V/rho on FFT grid 0.09 Mb ( 5832) Each G-vector array 0.02 Mb ( 2082) G-vector shells 0.01 Mb ( 962) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.05 Mb ( 240, 288) Each subspace H/S matrix 0.08 Mb ( 72, 72) Each matrix 0.32 Mb ( 146, 2, 72) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./As2PbO6.save/charge-density.dat Starting wfc are 82 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.6 secs Computing kpt #: 2 total cpu time spent up to now is 3.5 secs Computing kpt #: 3 total cpu time spent up to now is 4.3 secs Computing kpt #: 4 total cpu time spent up to now is 5.1 secs Computing kpt #: 5 total cpu time spent up to now is 5.9 secs Computing kpt #: 6 total cpu time spent up to now is 6.7 secs Computing kpt #: 7 total cpu time spent up to now is 7.5 secs Computing kpt #: 8 total cpu time spent up to now is 8.3 secs Computing kpt #: 9 total cpu time spent up to now is 9.1 secs Computing kpt #: 10 total cpu time spent up to now is 9.9 secs Computing kpt #: 11 total cpu time spent up to now is 10.7 secs Computing kpt #: 12 total cpu time spent up to now is 11.5 secs Computing kpt #: 13 total cpu time spent up to now is 12.2 secs Computing kpt #: 14 total cpu time spent up to now is 13.0 secs Computing kpt #: 15 total cpu time spent up to now is 13.8 secs Computing kpt #: 16 total cpu time spent up to now is 14.6 secs Computing kpt #: 17 total cpu time spent up to now is 15.3 secs Computing kpt #: 18 total cpu time spent up to now is 16.1 secs Computing kpt #: 19 total cpu time spent up to now is 16.8 secs Computing kpt #: 20 total cpu time spent up to now is 17.6 secs Computing kpt #: 21 total cpu time spent up to now is 18.4 secs Computing kpt #: 22 total cpu time spent up to now is 19.1 secs Computing kpt #: 23 total cpu time spent up to now is 19.9 secs Computing kpt #: 24 total cpu time spent up to now is 20.7 secs Computing kpt #: 25 total cpu time spent up to now is 21.4 secs Computing kpt #: 26 total cpu time spent up to now is 22.2 secs Computing kpt #: 27 total cpu time spent up to now is 23.0 secs Computing kpt #: 28 total cpu time spent up to now is 23.7 secs Computing kpt #: 29 total cpu time spent up to now is 24.5 secs Computing kpt #: 30 total cpu time spent up to now is 25.3 secs Computing kpt #: 31 total cpu time spent up to now is 26.1 secs Computing kpt #: 32 total cpu time spent up to now is 26.9 secs Computing kpt #: 33 total cpu time spent up to now is 27.7 secs Computing kpt #: 34 total cpu time spent up to now is 28.5 secs Computing kpt #: 35 total cpu time spent up to now is 29.2 secs Computing kpt #: 36 total cpu time spent up to now is 30.0 secs Computing kpt #: 37 total cpu time spent up to now is 30.7 secs Computing kpt #: 38 total cpu time spent up to now is 31.6 secs Computing kpt #: 39 total cpu time spent up to now is 32.5 secs Computing kpt #: 40 total cpu time spent up to now is 33.3 secs Computing kpt #: 41 total cpu time spent up to now is 34.1 secs Computing kpt #: 42 total cpu time spent up to now is 35.0 secs Computing kpt #: 43 total cpu time spent up to now is 36.0 secs Computing kpt #: 44 total cpu time spent up to now is 36.7 secs Computing kpt #: 45 total cpu time spent up to now is 37.5 secs Computing kpt #: 46 total cpu time spent up to now is 38.2 secs Computing kpt #: 47 total cpu time spent up to now is 39.0 secs Computing kpt #: 48 total cpu time spent up to now is 39.8 secs Computing kpt #: 49 total cpu time spent up to now is 40.6 secs Computing kpt #: 50 total cpu time spent up to now is 41.3 secs Computing kpt #: 51 total cpu time spent up to now is 42.1 secs Computing kpt #: 52 total cpu time spent up to now is 42.8 secs Computing kpt #: 53 total cpu time spent up to now is 43.6 secs Computing kpt #: 54 total cpu time spent up to now is 44.4 secs Computing kpt #: 55 total cpu time spent up to now is 45.2 secs Computing kpt #: 56 total cpu time spent up to now is 46.0 secs Computing kpt #: 57 total cpu time spent up to now is 46.8 secs Computing kpt #: 58 total cpu time spent up to now is 47.7 secs Computing kpt #: 59 total cpu time spent up to now is 48.5 secs Computing kpt #: 60 total cpu time spent up to now is 49.3 secs Computing kpt #: 61 total cpu time spent up to now is 50.2 secs Computing kpt #: 62 total cpu time spent up to now is 51.2 secs Computing kpt #: 63 total cpu time spent up to now is 52.1 secs Computing kpt #: 64 total cpu time spent up to now is 53.0 secs Computing kpt #: 65 total cpu time spent up to now is 53.8 secs Computing kpt #: 66 total cpu time spent up to now is 54.7 secs Computing kpt #: 67 total cpu time spent up to now is 55.5 secs Computing kpt #: 68 total cpu time spent up to now is 56.3 secs Computing kpt #: 69 total cpu time spent up to now is 57.1 secs Computing kpt #: 70 total cpu time spent up to now is 58.0 secs Computing kpt #: 71 total cpu time spent up to now is 58.8 secs Computing kpt #: 72 total cpu time spent up to now is 59.6 secs Computing kpt #: 73 total cpu time spent up to now is 60.4 secs Computing kpt #: 74 total cpu time spent up to now is 61.2 secs Computing kpt #: 75 total cpu time spent up to now is 62.0 secs Computing kpt #: 76 total cpu time spent up to now is 62.7 secs Computing kpt #: 77 total cpu time spent up to now is 67.3 secs Computing kpt #: 78 total cpu time spent up to now is 68.0 secs Computing kpt #: 79 total cpu time spent up to now is 68.8 secs Computing kpt #: 80 total cpu time spent up to now is 69.6 secs Computing kpt #: 81 total cpu time spent up to now is 70.3 secs Computing kpt #: 82 total cpu time spent up to now is 71.1 secs Computing kpt #: 83 total cpu time spent up to now is 71.8 secs Computing kpt #: 84 total cpu time spent up to now is 72.6 secs Computing kpt #: 85 total cpu time spent up to now is 73.4 secs Computing kpt #: 86 total cpu time spent up to now is 74.1 secs Computing kpt #: 87 total cpu time spent up to now is 74.9 secs Computing kpt #: 88 total cpu time spent up to now is 75.7 secs Computing kpt #: 89 total cpu time spent up to now is 76.4 secs Computing kpt #: 90 total cpu time spent up to now is 77.2 secs Computing kpt #: 91 total cpu time spent up to now is 78.0 secs Computing kpt #: 92 total cpu time spent up to now is 78.8 secs Computing kpt #: 93 total cpu time spent up to now is 79.6 secs Computing kpt #: 94 total cpu time spent up to now is 80.4 secs Computing kpt #: 95 total cpu time spent up to now is 81.2 secs Computing kpt #: 96 total cpu time spent up to now is 82.0 secs Computing kpt #: 97 total cpu time spent up to now is 82.8 secs Computing kpt #: 98 total cpu time spent up to now is 83.6 secs Computing kpt #: 99 total cpu time spent up to now is 84.3 secs Computing kpt #: 100 total cpu time spent up to now is 85.1 secs Computing kpt #: 101 total cpu time spent up to now is 85.9 secs Computing kpt #: 102 total cpu time spent up to now is 86.7 secs Computing kpt #: 103 total cpu time spent up to now is 87.5 secs Computing kpt #: 104 total cpu time spent up to now is 88.3 secs Computing kpt #: 105 total cpu time spent up to now is 89.2 secs Computing kpt #: 106 total cpu time spent up to now is 89.9 secs Computing kpt #: 107 total cpu time spent up to now is 90.7 secs Computing kpt #: 108 total cpu time spent up to now is 91.5 secs Computing kpt #: 109 total cpu time spent up to now is 92.4 secs Computing kpt #: 110 total cpu time spent up to now is 93.2 secs Computing kpt #: 111 total cpu time spent up to now is 94.0 secs Computing kpt #: 112 total cpu time spent up to now is 94.8 secs Computing kpt #: 113 total cpu time spent up to now is 95.6 secs Computing kpt #: 114 total cpu time spent up to now is 96.4 secs Computing kpt #: 115 total cpu time spent up to now is 97.2 secs Computing kpt #: 116 total cpu time spent up to now is 98.0 secs Computing kpt #: 117 total cpu time spent up to now is 98.8 secs Computing kpt #: 118 total cpu time spent up to now is 99.5 secs Computing kpt #: 119 total cpu time spent up to now is 100.3 secs Computing kpt #: 120 total cpu time spent up to now is 101.0 secs Computing kpt #: 121 total cpu time spent up to now is 101.7 secs Computing kpt #: 122 total cpu time spent up to now is 102.4 secs Computing kpt #: 123 total cpu time spent up to now is 103.1 secs Computing kpt #: 124 total cpu time spent up to now is 103.8 secs Computing kpt #: 125 total cpu time spent up to now is 104.5 secs Computing kpt #: 126 total cpu time spent up to now is 105.2 secs Computing kpt #: 127 total cpu time spent up to now is 105.9 secs Computing kpt #: 128 total cpu time spent up to now is 106.6 secs Computing kpt #: 129 total cpu time spent up to now is 107.3 secs Computing kpt #: 130 total cpu time spent up to now is 108.0 secs Computing kpt #: 131 total cpu time spent up to now is 108.7 secs Computing kpt #: 132 total cpu time spent up to now is 109.5 secs Computing kpt #: 133 total cpu time spent up to now is 110.1 secs Computing kpt #: 134 total cpu time spent up to now is 110.9 secs Computing kpt #: 135 total cpu time spent up to now is 111.6 secs Computing kpt #: 136 total cpu time spent up to now is 112.3 secs Computing kpt #: 137 total cpu time spent up to now is 113.0 secs Computing kpt #: 138 total cpu time spent up to now is 113.7 secs Computing kpt #: 139 total cpu time spent up to now is 114.4 secs Computing kpt #: 140 total cpu time spent up to now is 115.2 secs Computing kpt #: 141 total cpu time spent up to now is 115.9 secs Computing kpt #: 142 total cpu time spent up to now is 116.6 secs Computing kpt #: 143 total cpu time spent up to now is 117.3 secs Computing kpt #: 144 total cpu time spent up to now is 118.0 secs Computing kpt #: 145 total cpu time spent up to now is 118.8 secs Computing kpt #: 146 total cpu time spent up to now is 119.5 secs Computing kpt #: 147 total cpu time spent up to now is 120.2 secs Computing kpt #: 148 total cpu time spent up to now is 121.0 secs Computing kpt #: 149 total cpu time spent up to now is 121.7 secs Computing kpt #: 150 total cpu time spent up to now is 122.4 secs Computing kpt #: 151 total cpu time spent up to now is 123.2 secs Computing kpt #: 152 total cpu time spent up to now is 123.9 secs Computing kpt #: 153 total cpu time spent up to now is 124.7 secs Computing kpt #: 154 total cpu time spent up to now is 125.4 secs Computing kpt #: 155 total cpu time spent up to now is 126.2 secs Computing kpt #: 156 total cpu time spent up to now is 127.0 secs Computing kpt #: 157 total cpu time spent up to now is 127.7 secs Computing kpt #: 158 total cpu time spent up to now is 128.5 secs Computing kpt #: 159 total cpu time spent up to now is 129.3 secs Computing kpt #: 160 total cpu time spent up to now is 130.1 secs Computing kpt #: 161 total cpu time spent up to now is 131.0 secs Computing kpt #: 162 total cpu time spent up to now is 131.8 secs Computing kpt #: 163 total cpu time spent up to now is 132.6 secs Computing kpt #: 164 total cpu time spent up to now is 133.5 secs Computing kpt #: 165 total cpu time spent up to now is 134.3 secs Computing kpt #: 166 total cpu time spent up to now is 135.1 secs Computing kpt #: 167 total cpu time spent up to now is 136.0 secs Computing kpt #: 168 total cpu time spent up to now is 136.8 secs Computing kpt #: 169 total cpu time spent up to now is 137.7 secs Computing kpt #: 170 total cpu time spent up to now is 138.6 secs Computing kpt #: 171 total cpu time spent up to now is 139.4 secs Computing kpt #: 172 total cpu time spent up to now is 140.2 secs Computing kpt #: 173 total cpu time spent up to now is 141.2 secs Computing kpt #: 174 total cpu time spent up to now is 142.1 secs Computing kpt #: 175 total cpu time spent up to now is 143.0 secs Computing kpt #: 176 total cpu time spent up to now is 143.8 secs Computing kpt #: 177 total cpu time spent up to now is 144.8 secs Computing kpt #: 178 total cpu time spent up to now is 145.7 secs Computing kpt #: 179 total cpu time spent up to now is 146.7 secs Computing kpt #: 180 total cpu time spent up to now is 147.8 secs Computing kpt #: 181 total cpu time spent up to now is 148.9 secs Computing kpt #: 182 total cpu time spent up to now is 150.3 secs Computing kpt #: 183 total cpu time spent up to now is 151.5 secs Computing kpt #: 184 total cpu time spent up to now is 152.5 secs Computing kpt #: 185 total cpu time spent up to now is 154.0 secs Computing kpt #: 186 total cpu time spent up to now is 155.0 secs Computing kpt #: 187 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 157.1 secs Computing kpt #: 188 total cpu time spent up to now is 159.2 secs Computing kpt #: 189 total cpu time spent up to now is 160.1 secs Computing kpt #: 190 total cpu time spent up to now is 161.0 secs Computing kpt #: 191 total cpu time spent up to now is 162.7 secs Computing kpt #: 192 total cpu time spent up to now is 163.5 secs Computing kpt #: 193 total cpu time spent up to now is 164.2 secs Computing kpt #: 194 total cpu time spent up to now is 165.0 secs Computing kpt #: 195 total cpu time spent up to now is 165.8 secs Computing kpt #: 196 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 167.9 secs Computing kpt #: 197 total cpu time spent up to now is 168.8 secs Computing kpt #: 198 total cpu time spent up to now is 169.5 secs Computing kpt #: 199 total cpu time spent up to now is 170.4 secs Computing kpt #: 200 total cpu time spent up to now is 171.2 secs Computing kpt #: 201 total cpu time spent up to now is 172.1 secs Computing kpt #: 202 total cpu time spent up to now is 172.8 secs Computing kpt #: 203 total cpu time spent up to now is 173.7 secs Computing kpt #: 204 total cpu time spent up to now is 174.5 secs Computing kpt #: 205 total cpu time spent up to now is 175.2 secs Computing kpt #: 206 total cpu time spent up to now is 176.0 secs Computing kpt #: 207 total cpu time spent up to now is 176.7 secs Computing kpt #: 208 total cpu time spent up to now is 177.6 secs Computing kpt #: 209 total cpu time spent up to now is 178.5 secs Computing kpt #: 210 total cpu time spent up to now is 179.3 secs Computing kpt #: 211 total cpu time spent up to now is 180.1 secs Computing kpt #: 212 total cpu time spent up to now is 180.9 secs Computing kpt #: 213 total cpu time spent up to now is 181.6 secs Computing kpt #: 214 total cpu time spent up to now is 182.4 secs Computing kpt #: 215 total cpu time spent up to now is 183.2 secs Computing kpt #: 216 total cpu time spent up to now is 184.0 secs Computing kpt #: 217 total cpu time spent up to now is 184.7 secs Computing kpt #: 218 total cpu time spent up to now is 185.5 secs Computing kpt #: 219 total cpu time spent up to now is 186.3 secs Computing kpt #: 220 total cpu time spent up to now is 187.0 secs Computing kpt #: 221 total cpu time spent up to now is 187.8 secs Computing kpt #: 222 total cpu time spent up to now is 188.5 secs Computing kpt #: 223 total cpu time spent up to now is 189.3 secs Computing kpt #: 224 total cpu time spent up to now is 190.1 secs Computing kpt #: 225 total cpu time spent up to now is 190.8 secs Computing kpt #: 226 total cpu time spent up to now is 191.5 secs Computing kpt #: 227 total cpu time spent up to now is 192.3 secs Computing kpt #: 228 total cpu time spent up to now is 193.0 secs Computing kpt #: 229 total cpu time spent up to now is 193.8 secs Computing kpt #: 230 total cpu time spent up to now is 194.5 secs Computing kpt #: 231 total cpu time spent up to now is 195.2 secs Computing kpt #: 232 total cpu time spent up to now is 195.9 secs Computing kpt #: 233 total cpu time spent up to now is 196.6 secs Computing kpt #: 234 total cpu time spent up to now is 197.4 secs Computing kpt #: 235 total cpu time spent up to now is 198.1 secs Computing kpt #: 236 total cpu time spent up to now is 198.8 secs Computing kpt #: 237 total cpu time spent up to now is 199.5 secs Computing kpt #: 238 total cpu time spent up to now is 200.2 secs Computing kpt #: 239 total cpu time spent up to now is 201.0 secs Computing kpt #: 240 total cpu time spent up to now is 201.6 secs Computing kpt #: 241 total cpu time spent up to now is 202.4 secs Computing kpt #: 242 total cpu time spent up to now is 203.1 secs Computing kpt #: 243 total cpu time spent up to now is 203.8 secs Computing kpt #: 244 total cpu time spent up to now is 204.5 secs Computing kpt #: 245 total cpu time spent up to now is 205.4 secs Computing kpt #: 246 total cpu time spent up to now is 206.4 secs Computing kpt #: 247 total cpu time spent up to now is 207.3 secs Computing kpt #: 248 total cpu time spent up to now is 208.3 secs Computing kpt #: 249 total cpu time spent up to now is 209.3 secs Computing kpt #: 250 total cpu time spent up to now is 210.3 secs Computing kpt #: 251 total cpu time spent up to now is 211.3 secs Computing kpt #: 252 total cpu time spent up to now is 212.2 secs Computing kpt #: 253 total cpu time spent up to now is 213.3 secs Computing kpt #: 254 total cpu time spent up to now is 214.9 secs Computing kpt #: 255 total cpu time spent up to now is 215.9 secs Computing kpt #: 256 total cpu time spent up to now is 216.6 secs Computing kpt #: 257 total cpu time spent up to now is 217.4 secs Computing kpt #: 258 total cpu time spent up to now is 218.1 secs Computing kpt #: 259 total cpu time spent up to now is 218.8 secs Computing kpt #: 260 total cpu time spent up to now is 219.6 secs Computing kpt #: 261 total cpu time spent up to now is 220.4 secs Computing kpt #: 262 total cpu time spent up to now is 221.2 secs Computing kpt #: 263 total cpu time spent up to now is 221.9 secs Computing kpt #: 264 total cpu time spent up to now is 222.7 secs Computing kpt #: 265 total cpu time spent up to now is 223.5 secs Computing kpt #: 266 total cpu time spent up to now is 224.4 secs Computing kpt #: 267 total cpu time spent up to now is 225.1 secs Computing kpt #: 268 total cpu time spent up to now is 225.9 secs Computing kpt #: 269 total cpu time spent up to now is 226.6 secs Computing kpt #: 270 total cpu time spent up to now is 227.4 secs Computing kpt #: 271 total cpu time spent up to now is 228.3 secs Computing kpt #: 272 total cpu time spent up to now is 229.2 secs Computing kpt #: 273 total cpu time spent up to now is 229.9 secs Computing kpt #: 274 total cpu time spent up to now is 230.6 secs Computing kpt #: 275 total cpu time spent up to now is 231.6 secs Computing kpt #: 276 total cpu time spent up to now is 232.6 secs Computing kpt #: 277 total cpu time spent up to now is 233.5 secs Computing kpt #: 278 total cpu time spent up to now is 234.4 secs Computing kpt #: 279 total cpu time spent up to now is 235.3 secs Computing kpt #: 280 total cpu time spent up to now is 236.2 secs Computing kpt #: 281 total cpu time spent up to now is 237.0 secs Computing kpt #: 282 total cpu time spent up to now is 237.9 secs Computing kpt #: 283 total cpu time spent up to now is 238.7 secs Computing kpt #: 284 total cpu time spent up to now is 239.5 secs Computing kpt #: 285 total cpu time spent up to now is 240.4 secs Computing kpt #: 286 total cpu time spent up to now is 241.3 secs Computing kpt #: 287 total cpu time spent up to now is 242.1 secs Computing kpt #: 288 total cpu time spent up to now is 243.1 secs Computing kpt #: 289 total cpu time spent up to now is 244.0 secs Computing kpt #: 290 total cpu time spent up to now is 244.8 secs Computing kpt #: 291 total cpu time spent up to now is 245.6 secs Computing kpt #: 292 total cpu time spent up to now is 246.5 secs Computing kpt #: 293 total cpu time spent up to now is 247.3 secs Computing kpt #: 294 total cpu time spent up to now is 248.2 secs Computing kpt #: 295 total cpu time spent up to now is 249.0 secs Computing kpt #: 296 total cpu time spent up to now is 249.8 secs Computing kpt #: 297 total cpu time spent up to now is 250.6 secs Computing kpt #: 298 total cpu time spent up to now is 251.4 secs Computing kpt #: 299 total cpu time spent up to now is 252.2 secs Computing kpt #: 300 total cpu time spent up to now is 253.1 secs Computing kpt #: 301 total cpu time spent up to now is 253.9 secs Computing kpt #: 302 total cpu time spent up to now is 254.9 secs Computing kpt #: 303 total cpu time spent up to now is 255.7 secs Computing kpt #: 304 total cpu time spent up to now is 256.7 secs ethr = 1.67E-08, avg # of iterations = 20.6 total cpu time spent up to now is 256.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4109 PWs) bands (ev): -14.6759 -14.6759 -11.5085 -11.5085 -11.4826 -11.4826 -11.3235 -11.3235 -10.0258 -10.0258 -10.0180 -10.0180 -9.3431 -9.3431 -9.2856 -9.2856 -6.8135 -6.8135 -6.7777 -6.7777 -6.7447 -6.7447 -5.2998 -5.2998 -1.8347 -1.8347 -0.0611 -0.0611 1.2196 1.2196 1.2840 1.2840 1.3208 1.3208 1.3823 1.3823 3.3572 3.3572 4.0248 4.0248 4.5461 4.5461 4.5615 4.5615 4.6765 4.6765 4.7968 4.7968 4.9473 4.9473 5.6474 5.6474 5.6780 5.6780 5.7019 5.7019 5.9231 5.9231 5.9445 5.9445 11.1841 11.1841 11.7387 11.7387 11.8646 11.8646 13.3651 13.3651 13.8826 13.8826 16.2082 16.2082 k = 0.0132 0.0076-0.0000 ( 4111 PWs) bands (ev): -14.6751 -14.6751 -11.5097 -11.5097 -11.4839 -11.4839 -11.3228 -11.3228 -10.0262 -10.0262 -10.0184 -10.0184 -9.3430 -9.3430 -9.2854 -9.2854 -6.8135 -6.8135 -6.7777 -6.7777 -6.7447 -6.7447 -5.2969 -5.2969 -1.8343 -1.8343 -0.0618 -0.0618 1.2186 1.2186 1.2816 1.2816 1.3239 1.3239 1.3841 1.3841 3.3517 3.3517 4.0251 4.0251 4.5422 4.5422 4.5588 4.5588 4.6715 4.6715 4.8067 4.8067 4.9539 4.9539 5.6455 5.6455 5.6756 5.6756 5.6992 5.6992 5.9254 5.9254 5.9465 5.9465 11.1839 11.1839 11.7393 11.7393 11.8650 11.8650 13.3666 13.3666 13.8799 13.8799 16.2031 16.2031 k = 0.0263 0.0152-0.0000 ( 4101 PWs) bands (ev): -14.6726 -14.6726 -11.5139 -11.5139 -11.4873 -11.4873 -11.3209 -11.3209 -10.0274 -10.0274 -10.0197 -10.0197 -9.3427 -9.3427 -9.2849 -9.2849 -6.8135 -6.8135 -6.7776 -6.7776 -6.7445 -6.7445 -5.2881 -5.2881 -1.8329 -1.8329 -0.0639 -0.0639 1.2158 1.2158 1.2761 1.2761 1.3311 1.3311 1.3902 1.3902 3.3351 3.3351 4.0258 4.0258 4.5311 4.5311 4.5515 4.5515 4.6617 4.6617 4.8296 4.8296 4.9735 4.9735 5.6382 5.6382 5.6694 5.6694 5.6924 5.6924 5.9315 5.9315 5.9523 5.9523 11.1831 11.1831 11.7412 11.7412 11.8661 11.8661 13.3710 13.3710 13.8719 13.8719 16.1883 16.1883 k = 0.0395 0.0228-0.0000 ( 4107 PWs) bands (ev): -14.6684 -14.6684 -11.5219 -11.5219 -11.4919 -11.4919 -11.3177 -11.3177 -10.0295 -10.0295 -10.0216 -10.0216 -9.3423 -9.3423 -9.2840 -9.2840 -6.8135 -6.8135 -6.7774 -6.7774 -6.7443 -6.7443 -5.2734 -5.2734 -1.8306 -1.8306 -0.0672 -0.0672 1.2109 1.2109 1.2693 1.2693 1.3390 1.3390 1.4020 1.4020 3.3080 3.3080 4.0263 4.0263 4.5146 4.5146 4.5413 4.5413 4.6536 4.6536 4.8560 4.8560 5.0055 5.0055 5.6233 5.6233 5.6599 5.6599 5.6860 5.6860 5.9395 5.9395 5.9617 5.9617 11.1819 11.1819 11.7443 11.7443 11.8679 11.8679 13.3783 13.3783 13.8590 13.8590 16.1646 16.1646 k = 0.0526 0.0304-0.0000 ( 4105 PWs) bands (ev): -14.6625 -14.6625 -11.5344 -11.5344 -11.4966 -11.4966 -11.3133 -11.3133 -10.0327 -10.0327 -10.0241 -10.0241 -9.3417 -9.3417 -9.2827 -9.2827 -6.8134 -6.8134 -6.7771 -6.7771 -6.7441 -6.7441 -5.2530 -5.2530 -1.8273 -1.8273 -0.0715 -0.0715 1.2039 1.2039 1.2621 1.2621 1.3454 1.3454 1.4209 1.4209 3.2712 3.2712 4.0255 4.0255 4.4959 4.4959 4.5297 4.5297 4.6488 4.6488 4.8810 4.8810 5.0478 5.0478 5.6017 5.6017 5.6458 5.6458 5.6840 5.6840 5.9478 5.9478 5.9738 5.9738 11.1800 11.1800 11.7486 11.7486 11.8702 11.8702 13.3885 13.3885 13.8413 13.8413 16.1335 16.1335 k = 0.0658 0.0380-0.0000 ( 4111 PWs) bands (ev): -14.6550 -14.6550 -11.5517 -11.5517 -11.5012 -11.5012 -11.3078 -11.3078 -10.0371 -10.0371 -10.0268 -10.0268 -9.3409 -9.3409 -9.2811 -9.2811 -6.8134 -6.8134 -6.7767 -6.7767 -6.7437 -6.7437 -5.2271 -5.2271 -1.8232 -1.8232 -0.0765 -0.0765 1.1946 1.1946 1.2549 1.2549 1.3497 1.3497 1.4469 1.4469 3.2258 3.2258 4.0220 4.0220 4.4777 4.4777 4.5182 4.5182 4.6475 4.6475 4.9034 4.9034 5.0962 5.0962 5.5756 5.5756 5.6285 5.6285 5.6858 5.6858 5.9559 5.9559 5.9872 5.9872 11.1775 11.1775 11.7540 11.7540 11.8728 11.8728 13.4015 13.4015 13.8195 13.8195 16.0964 16.0964 k = 0.0789 0.0456-0.0000 ( 4107 PWs) bands (ev): -14.6457 -14.6457 -11.5734 -11.5734 -11.5058 -11.5058 -11.3013 -11.3013 -10.0427 -10.0427 -10.0298 -10.0298 -9.3400 -9.3400 -9.2791 -9.2791 -6.8134 -6.8134 -6.7763 -6.7763 -6.7432 -6.7432 -5.1958 -5.1958 -1.8183 -1.8183 -0.0820 -0.0820 1.1829 1.1829 1.2477 1.2477 1.3524 1.3524 1.4790 1.4790 3.1730 3.1730 4.0144 4.0144 4.4620 4.4620 4.5080 4.5080 4.6493 4.6493 4.9231 4.9231 5.1463 5.1463 5.5470 5.5470 5.6117 5.6117 5.6901 5.6901 5.9635 5.9635 6.0010 6.0010 11.1742 11.1742 11.7605 11.7605 11.8756 11.8756 13.4170 13.4170 13.7942 13.7942 16.0548 16.0548 k = 0.0921 0.0532-0.0000 ( 4107 PWs) bands (ev): -14.6349 -14.6349 -11.5993 -11.5993 -11.5104 -11.5104 -11.2939 -11.2939 -10.0494 -10.0494 -10.0331 -10.0331 -9.3390 -9.3390 -9.2770 -9.2770 -6.8133 -6.8133 -6.7758 -6.7758 -6.7425 -6.7425 -5.1593 -5.1593 -1.8125 -1.8125 -0.0876 -0.0876 1.1689 1.1689 1.2407 1.2407 1.3539 1.3539 1.5164 1.5164 3.1140 3.1140 4.0008 4.0008 4.4500 4.4500 4.5001 4.5001 4.6541 4.6541 4.9402 4.9402 5.1925 5.1925 5.5173 5.5173 5.5991 5.5991 5.6959 5.6959 5.9706 5.9706 6.0141 6.0141 11.1702 11.1702 11.7678 11.7678 11.8783 11.8783 13.4348 13.4348 13.7663 13.7663 16.0101 16.0101 k = 0.1053 0.0608-0.0000 ( 4111 PWs) bands (ev): -14.6224 -14.6224 -11.6289 -11.6289 -11.5151 -11.5151 -11.2856 -11.2856 -10.0571 -10.0571 -10.0367 -10.0367 -9.3380 -9.3380 -9.2745 -9.2745 -6.8133 -6.8133 -6.7752 -6.7752 -6.7417 -6.7417 -5.1178 -5.1178 -1.8059 -1.8059 -0.0929 -0.0929 1.1528 1.1528 1.2338 1.2338 1.3543 1.3543 1.5584 1.5584 3.0502 3.0502 3.9802 3.9802 4.4418 4.4418 4.4953 4.4953 4.6620 4.6620 4.9548 4.9548 5.2287 5.2287 5.4876 5.4876 5.5961 5.5961 5.7032 5.7032 5.9771 5.9771 6.0263 6.0263 11.1652 11.1652 11.7760 11.7760 11.8806 11.8806 13.4540 13.4540 13.7369 13.7369 15.9635 15.9635 k = 0.1184 0.0684-0.0000 ( 4111 PWs) bands (ev): -14.6083 -14.6083 -11.6621 -11.6621 -11.5200 -11.5200 -11.2765 -11.2765 -10.0658 -10.0658 -10.0406 -10.0406 -9.3368 -9.3368 -9.2719 -9.2719 -6.8132 -6.8132 -6.7746 -6.7746 -6.7408 -6.7408 -5.0716 -5.0716 -1.7986 -1.7986 -0.0977 -0.0977 1.1351 1.1351 1.2268 1.2268 1.3535 1.3535 1.6043 1.6043 2.9829 2.9829 3.9521 3.9521 4.4362 4.4362 4.4945 4.4945 4.6732 4.6732 4.9667 4.9667 5.2485 5.2485 5.4590 5.4590 5.6081 5.6081 5.7116 5.7116 5.9832 5.9832 6.0372 6.0372 11.1592 11.1592 11.7848 11.7848 11.8826 11.8826 13.4732 13.4732 13.7080 13.7080 15.9160 15.9160 k = 0.1316 0.0760-0.0000 ( 4111 PWs) bands (ev): -14.5925 -14.5925 -11.6985 -11.6985 -11.5250 -11.5250 -11.2667 -11.2667 -10.0754 -10.0754 -10.0448 -10.0448 -9.3356 -9.3356 -9.2691 -9.2691 -6.8132 -6.8132 -6.7739 -6.7739 -6.7397 -6.7397 -5.0210 -5.0210 -1.7906 -1.7906 -0.1017 -0.1017 1.1159 1.1159 1.2196 1.2196 1.3514 1.3514 1.6536 1.6536 2.9135 2.9135 3.9166 3.9166 4.4312 4.4312 4.4988 4.4988 4.6878 4.6878 4.9761 4.9761 5.2490 5.2490 5.4320 5.4320 5.6371 5.6371 5.7212 5.7212 5.9891 5.9891 6.0467 6.0467 11.1521 11.1521 11.7941 11.7941 11.8839 11.8839 13.4892 13.4892 13.6830 13.6830 15.8685 15.8685 k = 0.1447 0.0836-0.0000 ( 4113 PWs) bands (ev): -14.5752 -14.5752 -11.7380 -11.7380 -11.5300 -11.5300 -11.2562 -11.2562 -10.0857 -10.0857 -10.0492 -10.0492 -9.3343 -9.3343 -9.2661 -9.2661 -6.8131 -6.8131 -6.7731 -6.7731 -6.7384 -6.7384 -4.9663 -4.9663 -1.7819 -1.7819 -0.1045 -0.1045 1.0956 1.0956 1.2119 1.2119 1.3477 1.3477 1.7056 1.7056 2.8431 2.8431 3.8745 3.8745 4.4250 4.4250 4.5081 4.5081 4.7057 4.7057 4.9831 4.9831 5.2330 5.2330 5.4074 5.4074 5.6796 5.6796 5.7318 5.7318 5.9955 5.9955 6.0548 6.0548 11.1437 11.1437 11.8035 11.8035 11.8847 11.8847 13.4961 13.4961 13.6680 13.6680 15.8219 15.8219 k = 0.1579 0.0912-0.0000 ( 4113 PWs) bands (ev): -14.5563 -14.5563 -11.7802 -11.7802 -11.5352 -11.5352 -11.2452 -11.2452 -10.0967 -10.0967 -10.0539 -10.0539 -9.3330 -9.3330 -9.2631 -9.2631 -6.8130 -6.8130 -6.7723 -6.7723 -6.7370 -6.7370 -4.9078 -4.9078 -1.7727 -1.7727 -0.1061 -0.1061 1.0746 1.0746 1.2037 1.2037 1.3421 1.3421 1.7598 1.7598 2.7732 2.7732 3.8269 3.8269 4.4170 4.4170 4.5214 4.5214 4.7269 4.7269 4.9882 4.9882 5.2053 5.2053 5.3854 5.3854 5.7287 5.7287 5.7442 5.7442 6.0034 6.0034 6.0615 6.0615 11.1340 11.1340 11.8128 11.8128 11.8852 11.8852 13.4875 13.4875 13.6694 13.6694 15.7769 15.7769 k = 0.1711 0.0988-0.0000 ( 4115 PWs) bands (ev): -14.5359 -14.5359 -11.8249 -11.8249 -11.5403 -11.5403 -11.2336 -11.2336 -10.1084 -10.1084 -10.0589 -10.0589 -9.3317 -9.3317 -9.2600 -9.2600 -6.8130 -6.8130 -6.7715 -6.7715 -6.7355 -6.7355 -4.8457 -4.8457 -1.7629 -1.7629 -0.1060 -0.1060 1.0531 1.0531 1.1944 1.1944 1.3345 1.3345 1.8155 1.8155 2.7047 2.7047 3.7748 3.7748 4.4072 4.4072 4.5365 4.5365 4.7511 4.7511 4.9924 4.9924 5.1700 5.1700 5.3661 5.3661 5.7543 5.7543 5.7822 5.7822 6.0149 6.0149 6.0670 6.0670 11.1229 11.1229 11.8215 11.8215 11.8855 11.8855 13.4637 13.4637 13.6872 13.6872 15.7340 15.7340 k = 0.1842 0.1064-0.0000 ( 4131 PWs) bands (ev): -14.5140 -14.5140 -11.8720 -11.8720 -11.5455 -11.5455 -11.2214 -11.2214 -10.1207 -10.1207 -10.0640 -10.0640 -9.3304 -9.3304 -9.2569 -9.2569 -6.8129 -6.8129 -6.7706 -6.7706 -6.7338 -6.7338 -4.7804 -4.7804 -1.7527 -1.7527 -0.1044 -0.1044 1.0315 1.0315 1.1836 1.1836 1.3248 1.3248 1.8722 1.8722 2.6390 2.6390 3.7193 3.7193 4.3957 4.3957 4.5515 4.5515 4.7778 4.7778 4.9967 4.9967 5.1302 5.1302 5.3492 5.3492 5.7677 5.7677 5.8281 5.8281 6.0333 6.0333 6.0714 6.0714 11.1102 11.1102 11.8288 11.8288 11.8863 11.8863 13.4302 13.4302 13.7155 13.7155 15.6938 15.6938 k = 0.1974 0.1140-0.0000 ( 4135 PWs) bands (ev): -14.4906 -14.4906 -11.9211 -11.9211 -11.5507 -11.5507 -11.2088 -11.2088 -10.1334 -10.1334 -10.0693 -10.0693 -9.3292 -9.3292 -9.2538 -9.2538 -6.8128 -6.8128 -6.7697 -6.7697 -6.7320 -6.7320 -4.7122 -4.7122 -1.7420 -1.7420 -0.1009 -0.1009 1.0101 1.0101 1.1702 1.1702 1.3132 1.3132 1.9291 1.9291 2.5771 2.5771 3.6615 3.6615 4.3828 4.3828 4.5645 4.5645 4.8067 4.8067 5.0020 5.0020 5.0881 5.0881 5.3345 5.3345 5.7814 5.7814 5.8636 5.8636 6.0618 6.0618 6.0761 6.0761 11.0960 11.0960 11.8340 11.8340 11.8883 11.8883 13.3914 13.3914 13.7498 13.7498 15.6568 15.6568 k = 0.2105 0.1215-0.0000 ( 4131 PWs) bands (ev): -14.4657 -14.4657 -11.9720 -11.9720 -11.5559 -11.5559 -11.1958 -11.1958 -10.1467 -10.1467 -10.0747 -10.0747 -9.3280 -9.3280 -9.2507 -9.2507 -6.8127 -6.8127 -6.7687 -6.7687 -6.7301 -6.7301 -4.6415 -4.6415 -1.7310 -1.7310 -0.0956 -0.0956 0.9892 0.9892 1.1531 1.1531 1.3005 1.3005 1.9853 1.9853 2.5201 2.5201 3.6024 3.6024 4.3686 4.3686 4.5739 4.5739 4.8371 4.8371 5.0068 5.0068 5.0483 5.0483 5.3213 5.3213 5.7955 5.7955 5.8856 5.8856 6.0754 6.0754 6.1075 6.1075 11.0803 11.0803 11.8365 11.8365 11.8921 11.8921 13.3498 13.3498 13.7874 13.7874 15.6233 15.6233 k = 0.2237 0.1291-0.0000 ( 4141 PWs) bands (ev): -14.4395 -14.4395 -12.0244 -12.0244 -11.5610 -11.5610 -11.1824 -11.1824 -10.1603 -10.1603 -10.0802 -10.0802 -9.3268 -9.3268 -9.2477 -9.2477 -6.8126 -6.8126 -6.7677 -6.7677 -6.7282 -6.7282 -4.5686 -4.5686 -1.7198 -1.7198 -0.0885 -0.0885 0.9691 0.9691 1.1307 1.1307 1.2879 1.2879 2.0399 2.0399 2.4687 2.4687 3.5431 3.5431 4.3533 4.3533 4.5786 4.5786 4.8671 4.8671 4.9892 4.9892 5.0357 5.0357 5.3091 5.3091 5.8100 5.8100 5.8965 5.8965 6.0776 6.0776 6.1596 6.1596 11.0630 11.0630 11.8363 11.8363 11.8977 11.8977 13.3067 13.3067 13.8267 13.8267 15.5936 15.5936 k = 0.2368 0.1367-0.0000 ( 4137 PWs) bands (ev): -14.4119 -14.4119 -12.0782 -12.0782 -11.5660 -11.5660 -11.1687 -11.1687 -10.1742 -10.1742 -10.0857 -10.0857 -9.3257 -9.3257 -9.2448 -9.2448 -6.8125 -6.8125 -6.7667 -6.7667 -6.7262 -6.7262 -4.4939 -4.4939 -1.7083 -1.7083 -0.0795 -0.0795 0.9501 0.9501 1.1014 1.1014 1.2765 1.2765 2.0917 2.0917 2.4234 2.4234 3.4851 3.4851 4.3372 4.3372 4.5783 4.5783 4.8885 4.8885 4.9587 4.9587 5.0500 5.0500 5.2975 5.2975 5.8247 5.8247 5.9001 5.9001 6.0789 6.0789 6.2176 6.2176 11.0443 11.0443 11.8340 11.8340 11.9046 11.9046 13.2629 13.2629 13.8667 13.8667 15.5680 15.5680 k = 0.2500 0.1443-0.0000 ( 4141 PWs) bands (ev): -14.3830 -14.3830 -12.1331 -12.1331 -11.5709 -11.5709 -11.1547 -11.1547 -10.1884 -10.1884 -10.0912 -10.0912 -9.3246 -9.3246 -9.2419 -9.2419 -6.8124 -6.8124 -6.7657 -6.7657 -6.7242 -6.7242 -4.4177 -4.4177 -1.6967 -1.6967 -0.0688 -0.0688 0.9323 0.9323 1.0645 1.0645 1.2673 1.2673 2.1392 2.1392 2.3848 2.3848 3.4299 3.4299 4.3203 4.3203 4.5734 4.5734 4.8731 4.8731 4.9632 4.9632 5.0712 5.0712 5.2858 5.2858 5.8394 5.8394 5.8990 5.8990 6.0799 6.0799 6.2782 6.2782 11.0241 11.0241 11.8303 11.8303 11.9119 11.9119 13.2187 13.2187 13.9066 13.9066 15.5465 15.5465 k = 0.2632 0.1519-0.0000 ( 4127 PWs) bands (ev): -14.3529 -14.3529 -12.1889 -12.1889 -11.5757 -11.5757 -11.1404 -11.1404 -10.2029 -10.2029 -10.0967 -10.0967 -9.3236 -9.3236 -9.2392 -9.2392 -6.8123 -6.8123 -6.7646 -6.7646 -6.7221 -6.7221 -4.3405 -4.3405 -1.6850 -1.6850 -0.0565 -0.0565 0.9162 0.9162 1.0200 1.0200 1.2605 1.2605 2.1809 2.1809 2.3526 2.3526 3.3792 3.3792 4.3028 4.3028 4.5645 4.5645 4.8325 4.8325 4.9934 4.9934 5.0961 5.0961 5.2741 5.2741 5.8541 5.8541 5.8949 5.8949 6.0809 6.0809 6.3394 6.3394 11.0027 11.0027 11.8259 11.8259 11.9192 11.9192 13.1748 13.1748 13.9457 13.9457 15.5291 15.5291 k = 0.2763 0.1595-0.0000 ( 4123 PWs) bands (ev): -14.3216 -14.3216 -12.2453 -12.2453 -11.5803 -11.5803 -11.1260 -11.1260 -10.2174 -10.2174 -10.1022 -10.1022 -9.3227 -9.3227 -9.2367 -9.2367 -6.8123 -6.8123 -6.7636 -6.7636 -6.7201 -6.7201 -4.2625 -4.2625 -1.6733 -1.6733 -0.0427 -0.0427 0.9014 0.9014 0.9690 0.9690 1.2560 1.2560 2.2146 2.2146 2.3266 2.3266 3.3351 3.3351 4.2850 4.2850 4.5525 4.5525 4.7873 4.7873 5.0292 5.0292 5.1230 5.1230 5.2622 5.2622 5.8684 5.8684 5.8885 5.8885 6.0821 6.0821 6.4001 6.4001 10.9802 10.9802 11.8212 11.8212 11.9260 11.9260 13.1313 13.1313 13.9834 13.9834 15.5157 15.5157 k = 0.2895 0.1671-0.0000 ( 4119 PWs) bands (ev): -14.2893 -14.2893 -12.3021 -12.3021 -11.5849 -11.5849 -11.1115 -11.1115 -10.2320 -10.2320 -10.1075 -10.1075 -9.3218 -9.3218 -9.2342 -9.2342 -6.8122 -6.8122 -6.7625 -6.7625 -6.7181 -6.7181 -4.1843 -4.1843 -1.6617 -1.6617 -0.0278 -0.0278 0.8849 0.8849 0.9162 0.9162 1.2536 1.2536 2.2383 2.2383 2.3064 2.3064 3.2998 3.2998 4.2670 4.2670 4.5383 4.5383 4.7416 4.7416 5.0667 5.0667 5.1498 5.1498 5.2512 5.2512 5.8790 5.8790 5.8836 5.8836 6.0838 6.0838 6.4596 6.4596 10.9568 10.9568 11.8166 11.8166 11.9320 11.9320 13.0887 13.0887 14.0192 14.0192 15.5062 15.5062 k = 0.3026 0.1747-0.0000 ( 4115 PWs) bands (ev): -14.2560 -14.2560 -12.3590 -12.3590 -11.5892 -11.5892 -11.0970 -11.0970 -10.2466 -10.2466 -10.1127 -10.1127 -9.3210 -9.3210 -9.2319 -9.2319 -6.8121 -6.8121 -6.7615 -6.7615 -6.7161 -6.7161 -4.1063 -4.1063 -1.6501 -1.6501 -0.0119 -0.0119 0.8407 0.8407 0.8890 0.8890 1.2528 1.2528 2.2500 2.2500 2.2912 2.2912 3.2753 3.2753 4.2489 4.2489 4.5227 4.5227 4.6964 4.6964 5.1047 5.1047 5.1721 5.1721 5.2445 5.2445 5.8705 5.8705 5.8958 5.8958 6.0862 6.0862 6.5172 6.5172 10.9327 10.9327 11.8123 11.8123 11.9370 11.9370 13.0472 13.0472 14.0529 14.0529 15.5001 15.5001 k = 0.3158 0.1823-0.0000 ( 4128 PWs) bands (ev): -14.2219 -14.2219 -12.4159 -12.4159 -11.5933 -11.5933 -11.0825 -11.0825 -10.2612 -10.2612 -10.1177 -10.1177 -9.3203 -9.3203 -9.2298 -9.2298 -6.8120 -6.8120 -6.7605 -6.7605 -6.7142 -6.7142 -4.0289 -4.0289 -1.6387 -1.6387 0.0046 0.0046 0.7767 0.7767 0.8812 0.8812 1.2534 1.2534 2.2484 2.2484 2.2804 2.2804 3.2628 3.2628 4.2312 4.2312 4.5063 4.5063 4.6523 4.6523 5.1419 5.1419 5.1816 5.1816 5.2501 5.2501 5.8599 5.8599 5.9080 5.9080 6.0895 6.0895 6.5727 6.5727 10.9082 10.9082 11.8085 11.8085 11.9407 11.9407 13.0071 13.0071 14.0840 14.0840 15.4971 15.4971 k = 0.3289 0.1899-0.0000 ( 4128 PWs) bands (ev): -14.1871 -14.1871 -12.4723 -12.4723 -11.5973 -11.5973 -11.0681 -11.0681 -10.2755 -10.2755 -10.1225 -10.1225 -9.3197 -9.3197 -9.2278 -9.2278 -6.8119 -6.8119 -6.7595 -6.7595 -6.7123 -6.7123 -3.9528 -3.9528 -1.6276 -1.6276 0.0213 0.0213 0.7086 0.7086 0.8786 0.8786 1.2552 1.2552 2.2333 2.2333 2.2730 2.2730 3.2628 3.2628 4.2139 4.2139 4.4897 4.4897 4.6097 4.6097 5.1654 5.1654 5.1888 5.1888 5.2699 5.2699 5.8481 5.8481 5.9192 5.9192 6.0938 6.0938 6.6258 6.6258 10.8836 10.8836 11.8055 11.8055 11.9432 11.9432 12.9688 12.9688 14.1126 14.1126 15.4966 15.4966 k = 0.3421 0.1975-0.0000 ( 4134 PWs) bands (ev): -14.1518 -14.1518 -12.5281 -12.5281 -11.6010 -11.6010 -11.0540 -11.0540 -10.2896 -10.2896 -10.1271 -10.1271 -9.3191 -9.3191 -9.2260 -9.2260 -6.8119 -6.8119 -6.7585 -6.7585 -6.7106 -6.7106 -3.8783 -3.8783 -1.6168 -1.6168 0.0380 0.0380 0.6389 0.6389 0.8802 0.8802 1.2578 1.2578 2.2058 2.2058 2.2683 2.2683 3.2742 3.2742 4.1974 4.1974 4.4732 4.4732 4.5688 4.5688 5.1540 5.1540 5.2226 5.2226 5.2952 5.2952 5.8353 5.8353 5.9292 5.9292 6.0993 6.0993 6.6760 6.6760 10.8591 10.8591 11.8032 11.8032 11.9442 11.9442 12.9324 12.9324 14.1384 14.1384 15.4981 15.4981 k = 0.3553 0.2051-0.0000 ( 4138 PWs) bands (ev): -14.1162 -14.1162 -12.5828 -12.5828 -11.6045 -11.6045 -11.0402 -11.0402 -10.3033 -10.3033 -10.1314 -10.1314 -9.3187 -9.3187 -9.2243 -9.2243 -6.8118 -6.8118 -6.7576 -6.7576 -6.7089 -6.7089 -3.8061 -3.8061 -1.6063 -1.6063 0.0541 0.0541 0.5692 0.5692 0.8859 0.8859 1.2612 1.2612 2.1675 2.1675 2.2658 2.2658 3.2953 3.2953 4.1819 4.1819 4.4570 4.4570 4.5297 4.5297 5.1355 5.1355 5.2594 5.2594 5.3214 5.3214 5.8216 5.8216 5.9379 5.9379 6.1059 6.1059 6.7233 6.7233 10.8351 10.8351 11.8019 11.8019 11.9438 11.9438 12.8982 12.8982 14.1615 14.1615 15.5011 15.5011 k = 0.3684 0.2127-0.0000 ( 4140 PWs) bands (ev): -14.0806 -14.0806 -12.6363 -12.6363 -11.6077 -11.6077 -11.0269 -11.0269 -10.3166 -10.3166 -10.1355 -10.1355 -9.3182 -9.3182 -9.2228 -9.2228 -6.8117 -6.8117 -6.7568 -6.7568 -6.7074 -6.7074 -3.7367 -3.7367 -1.5962 -1.5962 0.0694 0.0694 0.5005 0.5005 0.8960 0.8960 1.2652 1.2652 2.1207 2.1207 2.2650 2.2650 3.3236 3.3236 4.1675 4.1675 4.4415 4.4415 4.4928 4.4928 5.1149 5.1149 5.2959 5.2959 5.3468 5.3468 5.8070 5.8070 5.9453 5.9453 6.1135 6.1135 6.7673 6.7673 10.8119 10.8119 11.8015 11.8015 11.9420 11.9420 12.8665 12.8665 14.1820 14.1820 15.5048 15.5048 k = 0.3816 0.2203-0.0000 ( 4138 PWs) bands (ev): -14.0454 -14.0454 -12.6879 -12.6879 -11.6107 -11.6107 -11.0142 -11.0142 -10.3292 -10.3292 -10.1392 -10.1392 -9.3179 -9.3179 -9.2214 -9.2214 -6.8117 -6.8117 -6.7560 -6.7560 -6.7059 -6.7059 -3.6710 -3.6710 -1.5865 -1.5865 0.0836 0.0836 0.4340 0.4340 0.9103 0.9103 1.2694 1.2694 2.0678 2.0678 2.2653 2.2653 3.3570 3.3570 4.1546 4.1546 4.4268 4.4268 4.4581 4.4581 5.0933 5.0933 5.3316 5.3316 5.3706 5.3706 5.7916 5.7916 5.9515 5.9515 6.1218 6.1218 6.8078 6.8078 10.7897 10.7897 11.8021 11.8021 11.9388 11.9388 12.8375 12.8375 14.2000 14.2000 15.5090 15.5090 k = 0.3947 0.2279-0.0000 ( 4136 PWs) bands (ev): -14.0108 -14.0108 -12.7374 -12.7374 -11.6134 -11.6134 -11.0021 -11.0021 -10.3411 -10.3411 -10.1426 -10.1426 -9.3176 -9.3176 -9.2202 -9.2202 -6.8117 -6.8117 -6.7553 -6.7553 -6.7046 -6.7046 -3.6094 -3.6094 -1.5775 -1.5775 0.0964 0.0964 0.3707 0.3707 0.9288 0.9288 1.2738 1.2738 2.0109 2.0109 2.2664 2.2664 3.3930 3.3930 4.1433 4.1433 4.4131 4.4131 4.4260 4.4260 5.0713 5.0713 5.3662 5.3662 5.3924 5.3924 5.7753 5.7753 5.9566 5.9566 6.1306 6.1306 6.8447 6.8447 10.7689 10.7689 11.8038 11.8038 11.9342 11.9342 12.8112 12.8112 14.2155 14.2155 15.5131 15.5131 k = 0.4079 0.2355-0.0000 ( 4132 PWs) bands (ev): -13.9774 -13.9774 -12.7840 -12.7840 -11.6158 -11.6158 -10.9910 -10.9910 -10.3521 -10.3521 -10.1456 -10.1456 -9.3173 -9.3173 -9.2191 -9.2191 -6.8116 -6.8116 -6.7546 -6.7546 -6.7035 -6.7035 -3.5528 -3.5528 -1.5691 -1.5691 0.1076 0.1076 0.3117 0.3117 0.9511 0.9511 1.2782 1.2782 1.9522 1.9522 2.2680 2.2680 3.4298 3.4298 4.1337 4.1337 4.3963 4.3963 4.4006 4.4006 5.0496 5.0496 5.3990 5.3990 5.4127 5.4127 5.7581 5.7581 5.9607 5.9607 6.1394 6.1394 6.8777 6.8777 10.7498 10.7498 11.8065 11.8065 11.9285 11.9285 12.7879 12.7879 14.2287 14.2287 15.5168 15.5168 k = 0.4211 0.2431-0.0000 ( 4152 PWs) bands (ev): -13.9458 -13.9458 -12.8272 -12.8272 -11.6179 -11.6179 -10.9809 -10.9809 -10.3621 -10.3621 -10.1483 -10.1483 -9.3171 -9.3171 -9.2182 -9.2182 -6.8116 -6.8116 -6.7540 -6.7540 -6.7025 -6.7025 -3.5018 -3.5018 -1.5614 -1.5614 0.1172 0.1172 0.2580 0.2580 0.9765 0.9765 1.2823 1.2823 1.8936 1.8936 2.2697 2.2697 3.4656 3.4656 4.1258 4.1258 4.3697 4.3697 4.3891 4.3891 5.0288 5.0288 5.4253 5.4253 5.4359 5.4359 5.7402 5.7402 5.9640 5.9640 6.1478 6.1478 6.9068 6.9068 10.7326 10.7326 11.8101 11.8101 11.9218 11.9218 12.7677 12.7677 14.2399 14.2399 15.5201 15.5201 k = 0.4342 0.2507-0.0000 ( 4148 PWs) bands (ev): -13.9168 -13.9168 -12.8661 -12.8661 -11.6197 -11.6197 -10.9720 -10.9720 -10.3709 -10.3709 -10.1506 -10.1506 -9.3169 -9.3169 -9.2175 -9.2175 -6.8116 -6.8116 -6.7535 -6.7535 -6.7016 -6.7016 -3.4571 -3.4571 -1.5546 -1.5546 0.1251 0.1251 0.2106 0.2106 1.0041 1.0041 1.2860 1.2860 1.8369 1.8369 2.2714 2.2714 3.4990 3.4990 4.1197 4.1197 4.3461 4.3461 4.3790 4.3790 5.0097 5.0097 5.4413 5.4413 5.4656 5.4656 5.7214 5.7214 5.9666 5.9666 6.1557 6.1557 6.9316 6.9316 10.7176 10.7176 11.8145 11.8145 11.9144 11.9144 12.7505 12.7505 14.2490 14.2490 15.5227 15.5227 k = 0.4474 0.2583-0.0000 ( 4150 PWs) bands (ev): -13.8911 -13.8911 -12.9000 -12.9000 -11.6211 -11.6211 -10.9644 -10.9644 -10.3784 -10.3784 -10.1525 -10.1525 -9.3168 -9.3168 -9.2168 -9.2168 -6.8116 -6.8116 -6.7531 -6.7531 -6.7009 -6.7009 -3.4195 -3.4195 -1.5488 -1.5488 0.1313 0.1313 0.1704 0.1704 1.0324 1.0324 1.2890 1.2890 1.7844 1.7844 2.2729 2.2729 3.5284 3.5284 4.1152 4.1152 4.3261 4.3261 4.3704 4.3704 4.9928 4.9928 5.4535 5.4535 5.4951 5.4951 5.7018 5.7018 5.9687 5.9687 6.1625 6.1625 6.9521 6.9521 10.7050 10.7050 11.8196 11.8196 11.9067 11.9067 12.7365 12.7365 14.2564 14.2564 15.5248 15.5248 k = 0.4605 0.2659-0.0000 ( 4154 PWs) bands (ev): -13.8697 -13.8697 -12.9278 -12.9278 -11.6223 -11.6223 -10.9583 -10.9583 -10.3844 -10.3844 -10.1539 -10.1539 -9.3167 -9.3167 -9.2163 -9.2163 -6.8115 -6.8115 -6.7528 -6.7528 -6.7003 -6.7003 -3.3895 -3.3895 -1.5442 -1.5442 0.1333 0.1333 0.1409 0.1409 1.0594 1.0594 1.2914 1.2914 1.7385 1.7385 2.2742 2.2742 3.5528 3.5528 4.1122 4.1122 4.3099 4.3099 4.3635 4.3635 4.9789 4.9789 5.4628 5.4628 5.5232 5.5232 5.6816 5.6816 5.9701 5.9701 6.1682 6.1682 6.9682 6.9682 10.6950 10.6950 11.8251 11.8251 11.8990 11.8990 12.7256 12.7256 14.2620 14.2620 15.5263 15.5263 k = 0.4737 0.2735-0.0000 ( 4142 PWs) bands (ev): -13.8535 -13.8535 -12.9485 -12.9485 -11.6231 -11.6231 -10.9539 -10.9539 -10.3887 -10.3887 -10.1550 -10.1550 -9.3166 -9.3166 -9.2160 -9.2160 -6.8115 -6.8115 -6.7525 -6.7525 -6.6999 -6.6999 -3.3677 -3.3677 -1.5407 -1.5407 0.1135 0.1135 0.1403 0.1403 1.0823 1.0823 1.2929 1.2929 1.7020 1.7020 2.2751 2.2751 3.5710 3.5710 4.1104 4.1104 4.2979 4.2979 4.3584 4.3584 4.9684 4.9684 5.4694 5.4694 5.5494 5.5494 5.6612 5.6612 5.9712 5.9712 6.1724 6.1724 6.9798 6.9798 10.6878 10.6878 11.8303 11.8303 11.8921 11.8921 12.7179 12.7179 14.2659 14.2659 15.5272 15.5272 k = 0.4868 0.2811-0.0000 ( 4144 PWs) bands (ev): -13.8434 -13.8434 -12.9614 -12.9614 -11.6236 -11.6236 -10.9512 -10.9512 -10.3914 -10.3914 -10.1556 -10.1556 -9.3166 -9.3166 -9.2158 -9.2158 -6.8115 -6.8115 -6.7524 -6.7524 -6.6997 -6.6997 -3.3545 -3.3545 -1.5386 -1.5386 0.0993 0.0993 0.1421 0.1421 1.0980 1.0980 1.2937 1.2937 1.6783 1.6783 2.2757 2.2757 3.5823 3.5823 4.1094 4.1094 4.2905 4.2905 4.3553 4.3553 4.9620 4.9620 5.4734 5.4734 5.5717 5.5717 5.6423 5.6423 5.9718 5.9718 6.1749 6.1749 6.9867 6.9867 10.6834 10.6834 11.8343 11.8343 11.8871 11.8871 12.7132 12.7132 14.2682 14.2682 15.5278 15.5278 k = 0.5000 0.2887-0.0000 ( 4148 PWs) bands (ev): -13.8399 -13.8399 -12.9658 -12.9658 -11.6238 -11.6238 -10.9503 -10.9503 -10.3923 -10.3923 -10.1559 -10.1559 -9.3166 -9.3166 -9.2157 -9.2157 -6.8115 -6.8115 -6.7524 -6.7524 -6.6996 -6.6996 -3.3500 -3.3500 -1.5379 -1.5379 0.0945 0.0945 0.1428 0.1428 1.1037 1.1037 1.2939 1.2939 1.6701 1.6701 2.2759 2.2759 3.5861 3.5861 4.1091 4.1091 4.2880 4.2880 4.3542 4.3542 4.9598 4.9598 5.4747 5.4747 5.5827 5.5827 5.6325 5.6325 5.9720 5.9720 6.1758 6.1758 6.9891 6.9891 10.6819 10.6819 11.8358 11.8358 11.8851 11.8851 12.7116 12.7116 14.2690 14.2690 15.5280 15.5280 k = 0.5000 0.2887-0.0000 ( 4148 PWs) bands (ev): -13.8399 -13.8399 -12.9658 -12.9658 -11.6238 -11.6238 -10.9503 -10.9503 -10.3923 -10.3923 -10.1559 -10.1559 -9.3166 -9.3166 -9.2157 -9.2157 -6.8115 -6.8115 -6.7524 -6.7524 -6.6996 -6.6996 -3.3500 -3.3500 -1.5379 -1.5379 0.0945 0.0945 0.1428 0.1428 1.1037 1.1037 1.2939 1.2939 1.6701 1.6701 2.2759 2.2759 3.5861 3.5861 4.1091 4.1091 4.2880 4.2880 4.3542 4.3542 4.9598 4.9598 5.4747 5.4747 5.5827 5.5827 5.6325 5.6325 5.9720 5.9720 6.1758 6.1758 6.9891 6.9891 10.6819 10.6819 11.8358 11.8358 11.8851 11.8851 12.7116 12.7116 14.2690 14.2690 15.5280 15.5280 k = 0.4924 0.3018-0.0000 ( 4142 PWs) bands (ev): -13.8390 -13.8390 -12.9666 -12.9666 -11.6245 -11.6245 -10.9498 -10.9498 -10.3941 -10.3941 -10.1543 -10.1543 -9.3166 -9.3166 -9.2157 -9.2157 -6.8115 -6.8115 -6.7523 -6.7523 -6.6996 -6.6996 -3.3477 -3.3477 -1.5400 -1.5400 0.0936 0.0936 0.1445 0.1445 1.0960 1.0960 1.3030 1.3030 1.6711 1.6711 2.2743 2.2743 3.5760 3.5760 4.1172 4.1172 4.2556 4.2556 4.3876 4.3876 4.9615 4.9615 5.4747 5.4747 5.5836 5.5836 5.6312 5.6312 5.9713 5.9713 6.1757 6.1757 6.9890 6.9890 10.6824 10.6824 11.8353 11.8353 11.8848 11.8848 12.7095 12.7095 14.2666 14.2666 15.5303 15.5303 k = 0.4848 0.3149-0.0000 ( 4140 PWs) bands (ev): -13.8362 -13.8362 -12.9691 -12.9691 -11.6266 -11.6266 -10.9484 -10.9484 -10.3994 -10.3994 -10.1496 -10.1496 -9.3167 -9.3167 -9.2157 -9.2157 -6.8115 -6.8115 -6.7520 -6.7520 -6.6997 -6.6997 -3.3409 -3.3409 -1.5462 -1.5462 0.0909 0.0909 0.1496 0.1496 1.0762 1.0762 1.3268 1.3268 1.6742 1.6742 2.2693 2.2693 3.5475 3.5475 4.1378 4.1378 4.2064 4.2064 4.4414 4.4414 4.9667 4.9667 5.4745 5.4745 5.5862 5.5862 5.6272 5.6272 5.9693 5.9693 6.1752 6.1752 6.9888 6.9888 10.6838 10.6838 11.8334 11.8334 11.8841 11.8841 12.7030 12.7030 14.2597 14.2597 15.5372 15.5372 k = 0.4773 0.3280-0.0000 ( 4136 PWs) bands (ev): -13.8315 -13.8315 -12.9733 -12.9733 -11.6301 -11.6301 -10.9459 -10.9459 -10.4078 -10.4078 -10.1424 -10.1424 -9.3167 -9.3167 -9.2157 -9.2157 -6.8115 -6.8115 -6.7515 -6.7515 -6.6999 -6.6999 -3.3295 -3.3295 -1.5565 -1.5565 0.0868 0.0868 0.1579 0.1579 1.0502 1.0502 1.3597 1.3597 1.6793 1.6793 2.2610 2.2610 3.5047 3.5047 4.1364 4.1364 4.1888 4.1888 4.4978 4.4978 4.9753 4.9753 5.4744 5.4744 5.5906 5.5906 5.6206 5.6206 5.9660 5.9660 6.1745 6.1745 6.9884 6.9884 10.6861 10.6861 11.8300 11.8300 11.8831 11.8831 12.6924 12.6924 14.2486 14.2486 15.5485 15.5485 k = 0.4697 0.3412-0.0000 ( 4128 PWs) bands (ev): -13.8250 -13.8250 -12.9791 -12.9791 -11.6348 -11.6348 -10.9426 -10.9426 -10.4188 -10.4188 -10.1332 -10.1332 -9.3169 -9.3169 -9.2157 -9.2157 -6.8115 -6.8115 -6.7508 -6.7508 -6.7001 -6.7001 -3.3136 -3.3136 -1.5710 -1.5710 0.0814 0.0814 0.1692 0.1692 1.0217 1.0217 1.3977 1.3977 1.6864 1.6864 2.2497 2.2497 3.4518 3.4518 4.0886 4.0886 4.2250 4.2250 4.5544 4.5544 4.9874 4.9874 5.4741 5.4741 5.5967 5.5967 5.6115 5.6115 5.9614 5.9614 6.1732 6.1732 6.9878 6.9878 10.6893 10.6893 11.8249 11.8249 11.8822 11.8822 12.6778 12.6778 14.2339 14.2339 15.5636 15.5636 k = 0.4621 0.3543-0.0000 ( 4136 PWs) bands (ev): -13.8166 -13.8166 -12.9868 -12.9868 -11.6407 -11.6407 -10.9382 -10.9382 -10.4317 -10.4317 -10.1225 -10.1225 -9.3170 -9.3170 -9.2158 -9.2158 -6.8116 -6.8116 -6.7500 -6.7500 -6.7005 -6.7005 -3.2932 -3.2932 -1.5894 -1.5894 0.0747 0.0747 0.1833 0.1833 0.9926 0.9926 1.4387 1.4387 1.6955 1.6955 2.2356 2.2356 3.3917 3.3917 4.0369 4.0369 4.2702 4.2702 4.6104 4.6104 5.0030 5.0030 5.4738 5.4738 5.5995 5.5995 5.6051 5.6051 5.9556 5.9556 6.1713 6.1713 6.9872 6.9872 10.6935 10.6935 11.8178 11.8178 11.8816 11.8816 12.6597 12.6597 14.2165 14.2165 15.5821 15.5821 k = 0.4545 0.3674-0.0000 ( 4142 PWs) bands (ev): -13.8064 -13.8064 -12.9962 -12.9962 -11.6476 -11.6476 -10.9330 -10.9330 -10.4461 -10.4461 -10.1109 -10.1109 -9.3172 -9.3172 -9.2158 -9.2158 -6.8116 -6.8116 -6.7490 -6.7490 -6.7008 -6.7008 -3.2685 -3.2685 -1.6118 -1.6118 0.0670 0.0670 0.2001 0.2001 0.9639 0.9639 1.4817 1.4817 1.7064 1.7064 2.2190 2.2190 3.3268 3.3268 3.9857 3.9857 4.3182 4.3182 4.6652 4.6652 5.0221 5.0221 5.4735 5.4735 5.5863 5.5863 5.6141 5.6141 5.9485 5.9485 6.1685 6.1685 6.9864 6.9864 10.6985 10.6985 11.8088 11.8088 11.8816 11.8816 12.6384 12.6384 14.1971 14.1971 15.6037 15.6037 k = 0.4470 0.3805-0.0000 ( 4140 PWs) bands (ev): -13.7943 -13.7943 -13.0074 -13.0074 -11.6553 -11.6553 -10.9268 -10.9268 -10.4617 -10.4617 -10.0989 -10.0989 -9.3175 -9.3175 -9.2158 -9.2158 -6.8116 -6.8116 -6.7478 -6.7478 -6.7013 -6.7013 -3.2395 -3.2395 -1.6381 -1.6381 0.0583 0.0583 0.2195 0.2195 0.9362 0.9362 1.5258 1.5258 1.7191 1.7191 2.2001 2.2001 3.2584 3.2584 3.9360 3.9360 4.3669 4.3669 4.7181 4.7181 5.0449 5.0449 5.4731 5.4731 5.5708 5.5708 5.6250 5.6250 5.9403 5.9403 6.1647 6.1647 6.9856 6.9856 10.7045 10.7045 11.7978 11.7978 11.8820 11.8820 12.6144 12.6144 14.1764 14.1764 15.6278 15.6278 k = 0.4394 0.3936-0.0000 ( 4136 PWs) bands (ev): -13.7804 -13.7804 -13.0204 -13.0204 -11.6637 -11.6637 -10.9196 -10.9196 -10.4781 -10.4781 -10.0866 -10.0866 -9.3177 -9.3177 -9.2159 -9.2159 -6.8116 -6.8116 -6.7466 -6.7466 -6.7018 -6.7018 -3.2062 -3.2062 -1.6681 -1.6681 0.0488 0.0488 0.2413 0.2413 0.9096 0.9096 1.5705 1.5705 1.7336 1.7336 2.1794 2.1794 3.1875 3.1875 3.8879 3.8879 4.4153 4.4153 4.7687 4.7687 5.0712 5.0712 5.4727 5.4727 5.5535 5.5535 5.6372 5.6372 5.9311 5.9311 6.1597 6.1597 6.9847 6.9847 10.7114 10.7114 11.7851 11.7851 11.8828 11.8828 12.5881 12.5881 14.1553 14.1553 15.6541 15.6541 k = 0.4318 0.4068-0.0000 ( 4148 PWs) bands (ev): -13.7647 -13.7647 -13.0354 -13.0354 -11.6725 -11.6725 -10.9116 -10.9116 -10.4951 -10.4951 -10.0746 -10.0746 -9.3180 -9.3180 -9.2160 -9.2160 -6.8117 -6.8117 -6.7452 -6.7452 -6.7023 -6.7023 -3.1689 -3.1689 -1.7017 -1.7017 0.0385 0.0385 0.2653 0.2653 0.8844 0.8844 1.6153 1.6153 1.7497 1.7497 2.1573 2.1573 3.1150 3.1150 3.8417 3.8417 4.4627 4.4627 4.8167 4.8167 5.1010 5.1010 5.4723 5.4723 5.5349 5.5349 5.6507 5.6507 5.9209 5.9209 6.1532 6.1532 6.9838 6.9838 10.7192 10.7192 11.7709 11.7709 11.8839 11.8839 12.5603 12.5603 14.1342 14.1342 15.6822 15.6822 k = 0.4242 0.4199-0.0000 ( 4148 PWs) bands (ev): -13.7472 -13.7472 -13.0523 -13.0523 -11.6815 -11.6815 -10.9027 -10.9027 -10.5125 -10.5125 -10.0629 -10.0629 -9.3184 -9.3184 -9.2160 -9.2160 -6.8117 -6.8117 -6.7438 -6.7438 -6.7029 -6.7029 -3.1276 -3.1276 -1.7389 -1.7389 0.0277 0.0277 0.2913 0.2913 0.8605 0.8605 1.6597 1.6597 1.7676 1.7676 2.1342 2.1342 3.0414 3.0414 3.7977 3.7977 4.5084 4.5084 4.8616 4.8616 5.1340 5.1340 5.4715 5.4715 5.5153 5.5153 5.6652 5.6652 5.9099 5.9099 6.1452 6.1452 6.9829 6.9829 10.7277 10.7277 11.7556 11.7556 11.8852 11.8852 12.5315 12.5315 14.1137 14.1137 15.7118 15.7118 k = 0.4167 0.4330-0.0000 ( 4144 PWs) bands (ev): -13.7278 -13.7278 -13.0712 -13.0712 -11.6905 -11.6905 -10.8928 -10.8928 -10.5303 -10.5303 -10.0517 -10.0517 -9.3187 -9.3187 -9.2161 -9.2161 -6.8117 -6.8117 -6.7423 -6.7423 -6.7035 -6.7035 -3.0824 -3.0824 -1.7794 -1.7794 0.0165 0.0165 0.3190 0.3190 0.8379 0.8379 1.7028 1.7028 1.7876 1.7876 2.1108 2.1108 2.9671 2.9671 3.7560 3.7560 4.5522 4.5522 4.9037 4.9037 5.1695 5.1695 5.4695 5.4695 5.4960 5.4960 5.6805 5.6805 5.8984 5.8984 6.1354 6.1354 6.9821 6.9821 10.7369 10.7369 11.7393 11.7393 11.8865 11.8865 12.5023 12.5023 14.0942 14.0942 15.7425 15.7425 k = 0.4091 0.4461-0.0000 ( 4152 PWs) bands (ev): -13.7067 -13.7067 -13.0920 -13.0920 -11.6994 -11.6994 -10.8822 -10.8822 -10.5483 -10.5483 -10.0412 -10.0412 -9.3190 -9.3190 -9.2162 -9.2162 -6.8118 -6.8118 -6.7407 -6.7407 -6.7042 -6.7042 -3.0337 -3.0337 -1.8231 -1.8231 0.0050 0.0050 0.3482 0.3482 0.8166 0.8166 1.7434 1.7434 1.8103 1.8103 2.0876 2.0876 2.8927 2.8927 3.7168 3.7168 4.5935 4.5935 4.9428 4.9428 5.2070 5.2070 5.4611 5.4611 5.4824 5.4824 5.6962 5.6962 5.8868 5.8868 6.1239 6.1239 6.9813 6.9813 10.7467 10.7467 11.7225 11.7225 11.8877 11.8877 12.4733 12.4733 14.0759 14.0759 15.7739 15.7739 k = 0.4015 0.4593-0.0000 ( 4152 PWs) bands (ev): -13.6838 -13.6838 -13.1148 -13.1148 -11.7079 -11.7079 -10.8706 -10.8706 -10.5665 -10.5665 -10.0316 -10.0316 -9.3194 -9.3194 -9.2163 -9.2163 -6.8118 -6.8118 -6.7391 -6.7391 -6.7049 -6.7049 -2.9816 -2.9816 -1.8700 -1.8700 -0.0066 -0.0066 0.3784 0.3784 0.7963 0.7963 1.7797 1.7797 1.8370 1.8370 2.0652 2.0652 2.8187 2.8187 3.6803 3.6803 4.6321 4.6321 4.9795 4.9795 5.2454 5.2454 5.4424 5.4424 5.4786 5.4786 5.7116 5.7116 5.8757 5.8757 6.1106 6.1106 6.9806 6.9806 10.7569 10.7569 11.7054 11.7054 11.8887 11.8887 12.4452 12.4452 14.0592 14.0592 15.8058 15.8058 k = 0.3939 0.4724-0.0000 ( 4156 PWs) bands (ev): -13.6592 -13.6592 -13.1396 -13.1396 -11.7159 -11.7159 -10.8583 -10.8583 -10.5848 -10.5848 -10.0228 -10.0228 -9.3198 -9.3198 -9.2164 -9.2164 -6.8118 -6.8118 -6.7376 -6.7376 -6.7057 -6.7057 -2.9263 -2.9263 -1.9197 -1.9197 -0.0180 -0.0180 0.4094 0.4094 0.7771 0.7771 1.8102 1.8102 1.8684 1.8684 2.0445 2.0445 2.7455 2.7455 3.6468 3.6468 4.6677 4.6677 5.0140 5.0140 5.2838 5.2838 5.4200 5.4200 5.4782 5.4782 5.7257 5.7257 5.8661 5.8661 6.0955 6.0955 6.9801 6.9801 10.7672 10.7672 11.6883 11.6883 11.8894 11.8894 12.4186 12.4186 14.0441 14.0441 15.8378 15.8378 k = 0.3864 0.4855-0.0000 ( 4158 PWs) bands (ev): -13.6328 -13.6328 -13.1663 -13.1663 -11.7232 -11.7232 -10.8451 -10.8451 -10.6031 -10.6031 -10.0150 -10.0150 -9.3201 -9.3201 -9.2165 -9.2165 -6.8119 -6.8119 -6.7361 -6.7361 -6.7064 -6.7064 -2.8680 -2.8680 -1.9722 -1.9722 -0.0290 -0.0290 0.4407 0.4407 0.7587 0.7587 1.8354 1.8354 1.9027 1.9027 2.0266 2.0266 2.6737 2.6737 3.6164 3.6164 4.7000 4.7000 5.0466 5.0466 5.3213 5.3213 5.3965 5.3965 5.4788 5.4788 5.7369 5.7369 5.8598 5.8598 6.0787 6.0787 6.9798 6.9798 10.7774 10.7774 11.6718 11.6718 11.8899 11.8899 12.3940 12.3940 14.0308 14.0308 15.8695 15.8695 k = 0.3788 0.4986-0.0000 ( 4162 PWs) bands (ev): -13.6047 -13.6047 -13.1949 -13.1949 -11.7297 -11.7297 -10.8312 -10.8312 -10.6215 -10.6215 -10.0083 -10.0083 -9.3204 -9.3204 -9.2166 -9.2166 -6.8119 -6.8119 -6.7347 -6.7347 -6.7071 -6.7071 -2.8071 -2.8071 -2.0274 -2.0274 -0.0394 -0.0394 0.4718 0.4718 0.7409 0.7409 1.8568 1.8568 1.9360 1.9360 2.0135 2.0135 2.6042 2.6042 3.5894 3.5894 4.7286 4.7286 5.0776 5.0776 5.3565 5.3565 5.3730 5.3730 5.4800 5.4800 5.7431 5.7431 5.8588 5.8588 6.0605 6.0605 6.9797 6.9797 10.7873 10.7873 11.6561 11.6561 11.8900 11.8900 12.3719 12.3719 14.0193 14.0193 15.9006 15.9006 k = 0.3712 0.5117-0.0000 ( 4154 PWs) bands (ev): -13.5749 -13.5749 -13.2254 -13.2254 -11.7354 -11.7354 -10.8166 -10.8166 -10.6399 -10.6399 -10.0026 -10.0026 -9.3207 -9.3207 -9.2167 -9.2167 -6.8119 -6.8119 -6.7334 -6.7334 -6.7078 -6.7078 -2.7438 -2.7438 -2.0850 -2.0850 -0.0491 -0.0491 0.5022 0.5022 0.7235 0.7235 1.8749 1.8749 1.9624 1.9624 2.0103 2.0103 2.5380 2.5380 3.5659 3.5659 4.7534 4.7534 5.1071 5.1071 5.3484 5.3484 5.3901 5.3901 5.4816 5.4816 5.7432 5.7432 5.8643 5.8643 6.0411 6.0411 6.9798 6.9798 10.7964 10.7964 11.6417 11.6417 11.8899 11.8899 12.3527 12.3527 14.0096 14.0096 15.9306 15.9306 k = 0.3636 0.5249-0.0000 ( 4164 PWs) bands (ev): -13.5435 -13.5435 -13.2575 -13.2575 -11.7400 -11.7400 -10.8012 -10.8012 -10.6583 -10.6583 -9.9979 -9.9979 -9.3209 -9.3209 -9.2168 -9.2168 -6.8119 -6.8119 -6.7322 -6.7322 -6.7084 -6.7084 -2.6786 -2.6786 -2.1450 -2.1450 -0.0576 -0.0576 0.5315 0.5315 0.7064 0.7064 1.8888 1.8888 1.9754 1.9754 2.0232 2.0232 2.4767 2.4767 3.5463 3.5463 4.7741 4.7741 5.1352 5.1352 5.3247 5.3247 5.4190 5.4190 5.4835 5.4835 5.7383 5.7383 5.8757 5.8757 6.0209 6.0209 6.9800 6.9800 10.8045 10.8045 11.6291 11.6291 11.8895 11.8895 12.3366 12.3366 14.0019 14.0019 15.9590 15.9590 k = 0.3561 0.5380-0.0000 ( 4168 PWs) bands (ev): -13.5104 -13.5104 -13.2913 -13.2913 -11.7437 -11.7437 -10.7852 -10.7852 -10.6766 -10.6766 -9.9944 -9.9944 -9.3211 -9.3211 -9.2169 -9.2169 -6.8119 -6.8119 -6.7313 -6.7313 -6.7089 -6.7089 -2.6118 -2.6118 -2.2072 -2.2072 -0.0648 -0.0648 0.5590 0.5590 0.6894 0.6894 1.8977 1.8977 1.9839 1.9839 2.0420 2.0420 2.4231 2.4231 3.5307 3.5307 4.7904 4.7904 5.1620 5.1620 5.3012 5.3012 5.4430 5.4430 5.4858 5.4858 5.7308 5.7308 5.8908 5.8908 6.0004 6.0004 6.9804 6.9804 10.8111 10.8111 11.6187 11.6187 11.8889 11.8889 12.3240 12.3240 13.9959 13.9959 15.9852 15.9852 k = 0.3485 0.5511-0.0000 ( 4176 PWs) bands (ev): -13.4757 -13.4757 -13.3267 -13.3267 -11.7463 -11.7463 -10.7687 -10.7687 -10.6947 -10.6947 -9.9919 -9.9919 -9.3212 -9.3212 -9.2169 -9.2169 -6.8120 -6.8120 -6.7305 -6.7305 -6.7093 -6.7093 -2.5437 -2.5437 -2.2715 -2.2715 -0.0704 -0.0704 0.5841 0.5841 0.6725 0.6725 1.9020 1.9020 1.9967 1.9967 2.0541 2.0541 2.3809 2.3809 3.5194 3.5194 4.8023 4.8023 5.1873 5.1873 5.2782 5.2782 5.4604 5.4604 5.4888 5.4888 5.7233 5.7233 5.9078 5.9078 5.9800 5.9800 6.9808 6.9808 10.8159 10.8159 11.6110 11.6110 11.8884 11.8884 12.3149 12.3149 13.9917 13.9917 16.0080 16.0080 k = 0.3409 0.5642-0.0000 ( 4186 PWs) bands (ev): -13.4396 -13.4396 -13.3633 -13.3633 -11.7479 -11.7479 -10.7521 -10.7521 -10.7123 -10.7123 -9.9904 -9.9904 -9.3213 -9.3213 -9.2169 -9.2169 -6.8120 -6.8120 -6.7301 -6.7301 -6.7096 -6.7096 -2.4749 -2.4749 -2.3377 -2.3377 -0.0740 -0.0740 0.6053 0.6053 0.6566 0.6566 1.9038 1.9038 2.0143 2.0143 2.0529 2.0529 2.3548 2.3548 3.5125 3.5125 4.8094 4.8094 5.2112 5.2112 5.2557 5.2557 5.4699 5.4699 5.4923 5.4923 5.7178 5.7178 5.9253 5.9253 5.9606 5.9606 6.9812 6.9812 10.8189 10.8189 11.6062 11.6062 11.8879 11.8879 12.3094 12.3094 13.9893 13.9893 16.0249 16.0249 k = 0.3333 0.5774-0.0000 ( 4170 PWs) bands (ev): -13.4054 -13.4054 -13.3976 -13.3976 -11.7484 -11.7484 -10.7403 -10.7403 -10.7243 -10.7243 -9.9899 -9.9899 -9.3213 -9.3213 -9.2169 -9.2169 -6.8120 -6.8120 -6.7299 -6.7299 -6.7096 -6.7096 -2.4075 -2.4075 -2.4043 -2.4043 -0.0753 -0.0753 0.6161 0.6161 0.6477 0.6477 1.9044 1.9044 2.0325 2.0325 2.0396 2.0396 2.3466 2.3466 3.5102 3.5102 4.8118 4.8118 5.2314 5.2314 5.2359 5.2359 5.4725 5.4725 5.4941 5.4941 5.7158 5.7158 5.9418 5.9418 5.9436 5.9436 6.9814 6.9814 10.8199 10.8199 11.6047 11.6047 11.8878 11.8878 12.3075 12.3075 13.9885 13.9885 16.0316 16.0316 k = 0.3333 0.5774-0.0000 ( 4170 PWs) bands (ev): -13.4054 -13.4054 -13.3976 -13.3976 -11.7484 -11.7484 -10.7403 -10.7403 -10.7243 -10.7243 -9.9899 -9.9899 -9.3213 -9.3213 -9.2169 -9.2169 -6.8120 -6.8120 -6.7299 -6.7299 -6.7096 -6.7096 -2.4075 -2.4075 -2.4043 -2.4043 -0.0753 -0.0753 0.6161 0.6161 0.6477 0.6477 1.9044 1.9044 2.0325 2.0325 2.0396 2.0396 2.3466 2.3466 3.5102 3.5102 4.8118 4.8118 5.2314 5.2314 5.2359 5.2359 5.4725 5.4725 5.4941 5.4941 5.7158 5.7158 5.9418 5.9418 5.9436 5.9436 6.9814 6.9814 10.8199 10.8199 11.6047 11.6047 11.8878 11.8878 12.3075 12.3075 13.9885 13.9885 16.0316 16.0316 k = 0.3258 0.5642-0.0000 ( 4182 PWs) bands (ev): -13.4408 -13.4408 -13.3620 -13.3620 -11.7479 -11.7479 -10.7523 -10.7523 -10.7121 -10.7121 -9.9904 -9.9904 -9.3213 -9.3213 -9.2169 -9.2169 -6.8120 -6.8120 -6.7301 -6.7301 -6.7096 -6.7096 -2.4757 -2.4757 -2.3371 -2.3371 -0.0738 -0.0738 0.6060 0.6060 0.6559 0.6559 1.9031 1.9031 2.0087 2.0087 2.0610 2.0610 2.3530 2.3530 3.5125 3.5125 4.8094 4.8094 5.2124 5.2124 5.2545 5.2545 5.4702 5.4702 5.4920 5.4920 5.7178 5.7178 5.9269 5.9269 5.9591 5.9591 6.9811 6.9811 10.8190 10.8190 11.6062 11.6062 11.8880 11.8880 12.3094 12.3094 13.9892 13.9892 16.0251 16.0251 k = 0.3182 0.5511-0.0000 ( 4182 PWs) bands (ev): -13.4809 -13.4809 -13.3212 -13.3212 -11.7464 -11.7464 -10.7697 -10.7697 -10.6937 -10.6937 -9.9917 -9.9917 -9.3212 -9.3212 -9.2169 -9.2169 -6.8120 -6.8120 -6.7305 -6.7305 -6.7094 -6.7094 -2.5472 -2.5472 -2.2692 -2.2692 -0.0694 -0.0694 0.5868 0.5868 0.6690 0.6690 1.8959 1.8959 1.9808 1.9808 2.0890 2.0890 2.3685 2.3685 3.5196 3.5196 4.8022 4.8022 5.1922 5.1922 5.2733 5.2733 5.4629 5.4629 5.4864 5.4864 5.7233 5.7233 5.9139 5.9139 5.9743 5.9743 6.9803 6.9803 10.8164 10.8164 11.6108 11.6108 11.8887 11.8887 12.3149 12.3149 13.9915 13.9915 16.0090 16.0090 k = 0.3106 0.5380-0.0000 ( 4178 PWs) bands (ev): -13.5218 -13.5218 -13.2790 -13.2790 -11.7440 -11.7440 -10.7877 -10.7877 -10.6744 -10.6744 -9.9938 -9.9938 -9.3211 -9.3211 -9.2169 -9.2169 -6.8120 -6.8120 -6.7312 -6.7312 -6.7090 -6.7090 -2.6202 -2.6202 -2.2027 -2.2027 -0.0614 -0.0614 0.5648 0.5648 0.6809 0.6809 1.8756 1.8756 1.9633 1.9633 2.1209 2.1209 2.3886 2.3886 3.5315 3.5315 4.7901 4.7901 5.1730 5.1730 5.2903 5.2903 5.4499 5.4499 5.4793 5.4793 5.7311 5.7311 5.9040 5.9040 5.9879 5.9879 6.9784 6.9784 10.8125 10.8125 11.6180 11.6180 11.8899 11.8899 12.3240 12.3240 13.9951 13.9951 15.9877 15.9877 k = 0.3030 0.5249-0.0000 ( 4166 PWs) bands (ev): -13.5634 -13.5634 -13.2354 -13.2354 -11.7407 -11.7407 -10.8056 -10.8056 -10.6545 -10.6545 -9.9967 -9.9967 -9.3210 -9.3210 -9.2169 -9.2169 -6.8119 -6.8119 -6.7321 -6.7321 -6.7087 -6.7087 -2.6947 -2.6947 -2.1383 -2.1383 -0.0495 -0.0495 0.5407 0.5407 0.6907 0.6907 1.8425 1.8425 1.9581 1.9581 2.1571 2.1571 2.4105 2.4105 3.5480 3.5480 4.7733 4.7733 5.1551 5.1551 5.3051 5.3051 5.4317 5.4317 5.4715 5.4715 5.7402 5.7402 5.8974 5.8974 5.9999 5.9999 6.9753 6.9753 10.8078 10.8078 11.6274 11.6274 11.8918 11.8918 12.3368 12.3368 14.0000 14.0000 15.9632 15.9632 k = 0.2955 0.5117-0.0000 ( 4154 PWs) bands (ev): -13.6056 -13.6056 -13.1904 -13.1904 -11.7366 -11.7366 -10.8236 -10.8236 -10.6340 -10.6340 -10.0001 -10.0001 -9.3208 -9.3208 -9.2169 -9.2169 -6.8119 -6.8119 -6.7332 -6.7332 -6.7083 -6.7083 -2.7705 -2.7705 -2.0765 -2.0765 -0.0333 -0.0333 0.5149 0.5149 0.6985 0.6985 1.8040 1.8040 1.9589 1.9589 2.1977 2.1977 2.4324 2.4324 3.5691 3.5691 4.7518 4.7518 5.1387 5.1387 5.3178 5.3178 5.4096 5.4096 5.4629 5.4629 5.7495 5.7495 5.8942 5.8942 6.0103 6.0103 6.9706 6.9706 10.8029 10.8029 11.6385 11.6385 11.8944 11.8944 12.3533 12.3533 14.0059 14.0059 15.9365 15.9365 k = 0.2879 0.4986-0.0000 ( 4154 PWs) bands (ev): -13.6482 -13.6482 -13.1442 -13.1442 -11.7317 -11.7317 -10.8415 -10.8415 -10.6132 -10.6132 -10.0041 -10.0041 -9.3206 -9.3206 -9.2170 -9.2170 -6.8119 -6.8119 -6.7344 -6.7344 -6.7080 -6.7080 -2.8477 -2.8477 -2.0181 -2.0181 -0.0125 -0.0125 0.4873 0.4873 0.7047 0.7047 1.7649 1.7649 1.9618 1.9618 2.2429 2.2429 2.4535 2.4535 3.5946 3.5946 4.7259 4.7259 5.1243 5.1243 5.3280 5.3280 5.3849 5.3849 5.4533 5.4533 5.7582 5.7582 5.8940 5.8940 6.0190 6.0190 6.9640 6.9640 10.7983 10.7983 11.6506 11.6506 11.8975 11.8975 12.3735 12.3735 14.0129 14.0129 15.9077 15.9077 k = 0.2803 0.4855-0.0000 ( 4152 PWs) bands (ev): -13.6910 -13.6910 -13.0967 -13.0967 -11.7262 -11.7262 -10.8593 -10.8593 -10.5921 -10.5921 -10.0085 -10.0085 -9.3204 -9.3204 -9.2171 -9.2171 -6.8119 -6.8119 -6.7358 -6.7358 -6.7077 -6.7077 -2.9260 -2.9260 -1.9634 -1.9634 0.0135 0.0135 0.4582 0.4582 0.7095 0.7095 1.7269 1.7269 1.9651 1.9651 2.2926 2.2926 2.4728 2.4728 3.6243 3.6243 4.6960 4.6960 5.1120 5.1120 5.3354 5.3354 5.3586 5.3586 5.4431 5.4431 5.7660 5.7660 5.8964 5.8964 6.0264 6.0264 6.9551 6.9551 10.7945 10.7945 11.6634 11.6634 11.9011 11.9011 12.3972 12.3972 14.0206 14.0206 15.8772 15.8772 k = 0.2727 0.4724-0.0000 ( 4156 PWs) bands (ev): -13.7340 -13.7340 -13.0480 -13.0480 -11.7201 -11.7201 -10.8771 -10.8771 -10.5707 -10.5707 -10.0133 -10.0133 -9.3202 -9.3202 -9.2172 -9.2172 -6.8119 -6.8119 -6.7372 -6.7372 -6.7075 -6.7075 -3.0054 -3.0054 -1.9131 -1.9131 0.0447 0.0447 0.4276 0.4276 0.7135 0.7135 1.6909 1.6909 1.9684 1.9684 2.3464 2.3464 2.4901 2.4901 3.6580 3.6580 4.6624 4.6624 5.1021 5.1021 5.3283 5.3283 5.3426 5.3426 5.4323 5.4323 5.7723 5.7723 5.9011 5.9011 6.0325 6.0325 6.9436 6.9436 10.7920 10.7920 11.6764 11.6764 11.9051 11.9051 12.4244 12.4244 14.0289 14.0289 15.8451 15.8451 k = 0.2652 0.4593-0.0000 ( 4160 PWs) bands (ev): -13.7770 -13.7770 -12.9982 -12.9982 -11.7134 -11.7134 -10.8947 -10.8947 -10.5490 -10.5490 -10.0182 -10.0182 -9.3201 -9.3201 -9.2175 -9.2175 -6.8119 -6.8119 -6.7388 -6.7388 -6.7074 -6.7074 -3.0858 -3.0858 -1.8675 -1.8675 0.0813 0.0813 0.3957 0.3957 0.7170 0.7170 1.6572 1.6572 1.9716 1.9716 2.4037 2.4037 2.5051 2.5051 3.6953 3.6953 4.6259 4.6259 5.0947 5.0947 5.2998 5.2998 5.3441 5.3441 5.4212 5.4212 5.7771 5.7771 5.9076 5.9076 6.0375 6.0375 6.9291 6.9291 10.7913 10.7913 11.6892 11.6892 11.9094 11.9094 12.4551 12.4551 14.0375 14.0375 15.8114 15.8114 k = 0.2576 0.4461-0.0000 ( 4152 PWs) bands (ev): -13.8198 -13.8198 -12.9473 -12.9473 -11.7063 -11.7063 -10.9123 -10.9123 -10.5271 -10.5271 -10.0233 -10.0233 -9.3199 -9.3199 -9.2178 -9.2178 -6.8118 -6.8118 -6.7403 -6.7403 -6.7075 -6.7075 -3.1672 -3.1672 -1.8268 -1.8268 0.1234 0.1234 0.3629 0.3629 0.7203 0.7203 1.6260 1.6260 1.9748 1.9748 2.4630 2.4630 2.5185 2.5185 3.7360 3.7360 4.5872 4.5872 5.0900 5.0900 5.2697 5.2697 5.3434 5.3434 5.4100 5.4100 5.7802 5.7802 5.9154 5.9154 6.0419 6.0419 6.9114 6.9114 10.7925 10.7925 11.7016 11.7016 11.9139 11.9139 12.4890 12.4890 14.0462 14.0462 15.7765 15.7765 k = 0.2500 0.4330-0.0000 ( 4154 PWs) bands (ev): -13.8625 -13.8625 -12.8955 -12.8955 -11.6988 -11.6988 -10.9297 -10.9297 -10.5051 -10.5051 -10.0284 -10.0284 -9.3198 -9.3198 -9.2183 -9.2183 -6.8118 -6.8118 -6.7420 -6.7420 -6.7077 -6.7077 -3.2494 -3.2494 -1.7914 -1.7914 0.1707 0.1707 0.3295 0.3295 0.7239 0.7239 1.5972 1.5972 1.9782 1.9782 2.5105 2.5105 2.5434 2.5434 3.7797 3.7797 4.5471 4.5471 5.0880 5.0880 5.2389 5.2389 5.3398 5.3398 5.3987 5.3987 5.7815 5.7815 5.9242 5.9242 6.0456 6.0456 6.8904 6.8904 10.7960 10.7960 11.7135 11.7135 11.9182 11.9182 12.5259 12.5259 14.0546 14.0546 15.7406 15.7406 k = 0.2424 0.4199-0.0000 ( 4154 PWs) bands (ev): -13.9048 -13.9048 -12.8428 -12.8428 -11.6910 -11.6910 -10.9470 -10.9470 -10.4830 -10.4830 -10.0335 -10.0335 -9.3198 -9.3198 -9.2188 -9.2188 -6.8118 -6.8118 -6.7436 -6.7436 -6.7080 -6.7080 -3.3323 -3.3323 -1.7611 -1.7611 0.2223 0.2223 0.2963 0.2963 0.7281 0.7281 1.5706 1.5706 1.9822 1.9822 2.5224 2.5224 2.6027 2.6027 3.8262 3.8262 4.5065 4.5065 5.0886 5.0886 5.2077 5.2077 5.3330 5.3330 5.3874 5.3874 5.7811 5.7811 5.9335 5.9335 6.0489 6.0489 6.8657 6.8657 10.8019 10.8019 11.7247 11.7247 11.9223 11.9223 12.5655 12.5655 14.0625 14.0625 15.7043 15.7043 k = 0.2348 0.4068-0.0000 ( 4154 PWs) bands (ev): -13.9466 -13.9466 -12.7893 -12.7893 -11.6830 -11.6830 -10.9642 -10.9642 -10.4609 -10.4609 -10.0384 -10.0384 -9.3198 -9.3198 -9.2195 -9.2195 -6.8118 -6.8118 -6.7453 -6.7453 -6.7085 -6.7085 -3.4158 -3.4158 -1.7359 -1.7359 0.2554 0.2554 0.2862 0.2862 0.7331 0.7331 1.5462 1.5462 1.9872 1.9872 2.5237 2.5237 2.6707 2.6707 3.8750 3.8750 4.4663 4.4663 5.0916 5.0916 5.1762 5.1762 5.3232 5.3232 5.3760 5.3760 5.7791 5.7791 5.9432 5.9432 6.0520 6.0520 6.8374 6.8374 10.8102 10.8102 11.7354 11.7354 11.9258 11.9258 12.6075 12.6075 14.0692 14.0692 15.6679 15.6679 k = 0.2273 0.3936-0.0000 ( 4138 PWs) bands (ev): -13.9879 -13.9879 -12.7350 -12.7350 -11.6747 -11.6747 -10.9812 -10.9812 -10.4387 -10.4387 -10.0431 -10.0431 -9.3198 -9.3198 -9.2204 -9.2204 -6.8119 -6.8119 -6.7470 -6.7470 -6.7091 -6.7091 -3.4999 -3.4999 -1.7156 -1.7156 0.2252 0.2252 0.3437 0.3437 0.7392 0.7392 1.5237 1.5237 1.9934 1.9934 2.5197 2.5197 2.7414 2.7414 3.9259 3.9259 4.4273 4.4273 5.0969 5.0969 5.1449 5.1449 5.3104 5.3104 5.3643 5.3643 5.7756 5.7756 5.9529 5.9529 6.0549 6.0549 6.8054 6.8054 10.8208 10.8208 11.7456 11.7456 11.9288 11.9288 12.6517 12.6517 14.0745 14.0745 15.6323 15.6323 k = 0.2197 0.3805-0.0000 ( 4138 PWs) bands (ev): -14.0285 -14.0285 -12.6801 -12.6801 -11.6663 -11.6663 -10.9981 -10.9981 -10.4167 -10.4167 -10.0475 -10.0475 -9.3200 -9.3200 -9.2214 -9.2214 -6.8119 -6.8119 -6.7487 -6.7487 -6.7099 -6.7099 -3.5844 -3.5844 -1.6998 -1.6998 0.1922 0.1922 0.4078 0.4078 0.7465 0.7465 1.5028 1.5028 2.0014 2.0014 2.5108 2.5108 2.8138 2.8138 3.9783 3.9783 4.3905 4.3905 5.1017 5.1017 5.1165 5.1165 5.2948 5.2948 5.3523 5.3523 5.7709 5.7709 5.9625 5.9625 6.0577 6.0577 6.7697 6.7697 10.8337 10.8337 11.7554 11.7554 11.9309 11.9309 12.6976 12.6976 14.0776 14.0776 15.5982 15.5982 k = 0.2121 0.3674-0.0000 ( 4142 PWs) bands (ev): -14.0685 -14.0685 -12.6246 -12.6246 -11.6578 -11.6578 -11.0148 -11.0148 -10.3947 -10.3947 -10.0515 -10.0515 -9.3202 -9.3202 -9.2226 -9.2226 -6.8119 -6.8119 -6.7504 -6.7504 -6.7109 -6.7109 -3.6691 -3.6691 -1.6881 -1.6881 0.1597 0.1597 0.4747 0.4747 0.7553 0.7553 1.4835 1.4835 2.0116 2.0116 2.4969 2.4969 2.8872 2.8872 4.0318 4.0318 4.3565 4.3565 5.0795 5.0795 5.1174 5.1174 5.2763 5.2763 5.3399 5.3399 5.7652 5.7652 5.9718 5.9718 6.0603 6.0603 6.7303 6.7303 10.8487 10.8487 11.7648 11.7648 11.9321 11.9321 12.7450 12.7450 14.0782 14.0782 15.5664 15.5664 k = 0.2045 0.3543-0.0000 ( 4142 PWs) bands (ev): -14.1076 -14.1076 -12.5688 -12.5688 -11.6493 -11.6493 -11.0313 -11.0313 -10.3729 -10.3729 -10.0551 -10.0551 -9.3204 -9.3204 -9.2240 -9.2240 -6.8119 -6.8119 -6.7521 -6.7521 -6.7120 -6.7120 -3.7539 -3.7539 -1.6803 -1.6803 0.1283 0.1283 0.5433 0.5433 0.7657 0.7657 1.4655 1.4655 2.0244 2.0244 2.4781 2.4781 2.9614 2.9614 4.0859 4.0859 4.3264 4.3264 5.0491 5.0491 5.1292 5.1292 5.2550 5.2550 5.3272 5.3272 5.7587 5.7587 5.9806 5.9806 6.0628 6.0628 6.6873 6.6873 10.8655 10.8655 11.7739 11.7739 11.9323 11.9323 12.7936 12.7936 14.0756 14.0756 15.5379 15.5379 k = 0.1970 0.3412-0.0000 ( 4140 PWs) bands (ev): -14.1458 -14.1458 -12.5126 -12.5126 -11.6408 -11.6408 -11.0477 -11.0477 -10.3514 -10.3514 -10.0582 -10.0582 -9.3208 -9.3208 -9.2255 -9.2255 -6.8120 -6.8120 -6.7538 -6.7538 -6.7132 -6.7132 -3.8387 -3.8387 -1.6758 -1.6758 0.0982 0.0982 0.6122 0.6122 0.7780 0.7780 1.4486 1.4486 2.0404 2.0404 2.4541 2.4541 3.0359 3.0359 4.1393 4.1393 4.3012 4.3012 5.0189 5.0189 5.1433 5.1433 5.2312 5.2312 5.3141 5.3141 5.7515 5.7515 5.9889 5.9889 6.0651 6.0651 6.6409 6.6409 10.8838 10.8838 11.7828 11.7828 11.9315 11.9315 12.8430 12.8430 14.0693 14.0693 15.5135 15.5135 k = 0.1894 0.3280-0.0000 ( 4132 PWs) bands (ev): -14.1831 -14.1831 -12.4562 -12.4562 -11.6323 -11.6323 -11.0638 -11.0638 -10.3301 -10.3301 -10.0608 -10.0608 -9.3212 -9.3212 -9.2272 -9.2272 -6.8120 -6.8120 -6.7554 -6.7554 -6.7146 -6.7146 -3.9233 -3.9233 -1.6743 -1.6743 0.0697 0.0697 0.6800 0.6800 0.7928 0.7928 1.4328 1.4328 2.0602 2.0602 2.4252 2.4252 3.1103 3.1103 4.1891 4.1891 4.2840 4.2840 4.9896 4.9896 5.1591 5.1591 5.2051 5.2051 5.3007 5.3007 5.7440 5.7440 5.9964 5.9964 6.0672 6.0672 6.5912 6.5912 10.9033 10.9033 11.7914 11.7914 11.9295 11.9295 12.8931 12.8931 14.0588 14.0588 15.4941 15.4941 k = 0.1818 0.3149-0.0000 ( 4132 PWs) bands (ev): -14.2194 -14.2194 -12.3997 -12.3997 -11.6240 -11.6240 -11.0797 -11.0797 -10.3091 -10.3091 -10.0629 -10.0629 -9.3217 -9.3217 -9.2292 -9.2292 -6.8121 -6.8121 -6.7571 -6.7571 -6.7161 -6.7161 -4.0075 -4.0075 -1.6753 -1.6753 0.0430 0.0430 0.7435 0.7435 0.8123 0.8123 1.4178 1.4178 2.0841 2.0841 2.3914 2.3914 3.1842 3.1842 4.2220 4.2220 4.2876 4.2876 4.9615 4.9615 5.1736 5.1736 5.1796 5.1796 5.2873 5.2873 5.7361 5.7361 6.0033 6.0033 6.0691 6.0691 6.5385 6.5385 10.9238 10.9238 11.7999 11.7999 11.9265 11.9265 12.9436 12.9436 14.0440 14.0440 15.4803 15.4803 k = 0.1742 0.3018-0.0000 ( 4136 PWs) bands (ev): -14.2546 -14.2546 -12.3434 -12.3434 -11.6157 -11.6157 -11.0954 -11.0954 -10.2885 -10.2885 -10.0644 -10.0644 -9.3223 -9.3223 -9.2313 -9.2313 -6.8122 -6.8122 -6.7586 -6.7586 -6.7177 -6.7177 -4.0912 -4.0912 -1.6784 -1.6784 0.0182 0.0182 0.7933 0.7933 0.8448 0.8448 1.4036 1.4036 2.1128 2.1128 2.3531 2.3531 3.2573 3.2573 4.2251 4.2251 4.3243 4.3243 4.9351 4.9351 5.1463 5.1463 5.1951 5.1951 5.2741 5.2741 5.7281 5.7281 6.0093 6.0093 6.0706 6.0706 6.4828 6.4828 10.9448 10.9448 11.8082 11.8082 11.9224 11.9224 12.9942 12.9942 14.0245 14.0245 15.4727 15.4727 k = 0.1667 0.2887-0.0000 ( 4144 PWs) bands (ev): -14.2887 -14.2887 -12.2872 -12.2872 -11.6077 -11.6077 -11.1108 -11.1108 -10.2684 -10.2684 -10.0653 -10.0653 -9.3229 -9.3229 -9.2336 -9.2336 -6.8122 -6.8122 -6.7602 -6.7602 -6.7194 -6.7194 -4.1741 -4.1741 -1.6833 -1.6833 -0.0044 -0.0044 0.8230 0.8230 0.8960 0.8960 1.3900 1.3900 2.1465 2.1465 2.3106 2.3106 3.3292 3.3292 4.2200 4.2200 4.3718 4.3718 4.9110 4.9110 5.1152 5.1152 5.2124 5.2124 5.2626 5.2626 5.7201 5.7201 6.0144 6.0144 6.0718 6.0718 6.4246 6.4246 10.9660 10.9660 11.8162 11.8162 11.9173 11.9173 13.0447 13.0447 14.0006 14.0006 15.4716 15.4716 k = 0.1591 0.2756-0.0000 ( 4138 PWs) bands (ev): -14.3216 -14.3216 -12.2314 -12.2314 -11.5997 -11.5997 -11.1259 -11.1259 -10.2487 -10.2487 -10.0657 -10.0657 -9.3237 -9.3237 -9.2360 -9.2360 -6.8123 -6.8123 -6.7616 -6.7616 -6.7212 -6.7212 -4.2560 -4.2560 -1.6898 -1.6898 -0.0248 -0.0248 0.8453 0.8453 0.9521 0.9521 1.3772 1.3772 2.1854 2.1854 2.2646 2.2646 3.3995 3.3995 4.2164 4.2164 4.4189 4.4189 4.8899 4.8899 5.0836 5.0836 5.2218 5.2218 5.2599 5.2599 5.7120 5.7120 6.0187 6.0187 6.0726 6.0726 6.3640 6.3640 10.9871 10.9871 11.8238 11.8238 11.9114 11.9114 13.0951 13.0951 13.9725 13.9725 15.4771 15.4771 k = 0.1515 0.2624-0.0000 ( 4138 PWs) bands (ev): -14.3532 -14.3532 -12.1762 -12.1762 -11.5920 -11.5920 -11.1407 -11.1407 -10.2295 -10.2295 -10.0656 -10.0656 -9.3245 -9.3245 -9.2387 -9.2387 -6.8124 -6.8124 -6.7631 -6.7631 -6.7230 -6.7230 -4.3367 -4.3367 -1.6974 -1.6974 -0.0429 -0.0429 0.8665 0.8665 1.0062 1.0062 1.3649 1.3649 2.2105 2.2105 2.2348 2.2348 3.4678 3.4678 4.2159 4.2159 4.4622 4.4622 4.8726 4.8726 5.0527 5.0527 5.2153 5.2153 5.2737 5.2737 5.7040 5.7040 6.0219 6.0219 6.0730 6.0730 6.3013 6.3013 11.0078 11.0078 11.8309 11.8309 11.9048 11.9048 13.1450 13.1450 13.9407 13.9407 15.4891 15.4891 k = 0.1439 0.2493-0.0000 ( 4138 PWs) bands (ev): -14.3836 -14.3836 -12.1217 -12.1217 -11.5844 -11.5844 -11.1552 -11.1552 -10.2110 -10.2110 -10.0649 -10.0649 -9.3254 -9.3254 -9.2414 -9.2414 -6.8125 -6.8125 -6.7644 -6.7644 -6.7249 -6.7249 -4.4160 -4.4160 -1.7059 -1.7059 -0.0586 -0.0586 0.8881 0.8881 1.0562 1.0562 1.3532 1.3532 2.1609 2.1609 2.2827 2.2827 3.5336 3.5336 4.2190 4.2190 4.4990 4.4990 4.8595 4.8595 5.0244 5.0244 5.2016 5.2016 5.2951 5.2951 5.6960 5.6960 6.0242 6.0242 6.0729 6.0729 6.2369 6.2369 11.0278 11.0278 11.8372 11.8372 11.8977 11.8977 13.1944 13.1944 13.9060 13.9060 15.5072 15.5072 k = 0.1364 0.2362-0.0000 ( 4138 PWs) bands (ev): -14.4126 -14.4126 -12.0680 -12.0680 -11.5771 -11.5771 -11.1694 -11.1694 -10.1930 -10.1930 -10.0637 -10.0637 -9.3263 -9.3263 -9.2443 -9.2443 -6.8126 -6.8126 -6.7658 -6.7658 -6.7268 -6.7268 -4.4936 -4.4936 -1.7150 -1.7150 -0.0720 -0.0720 0.9103 0.9103 1.1016 1.1016 1.3421 1.3421 2.1064 2.1064 2.3387 2.3387 3.5967 3.5967 4.2254 4.2254 4.5272 4.5272 4.8495 4.8495 5.0023 5.0023 5.1857 5.1857 5.3190 5.3190 5.6880 5.6880 6.0255 6.0255 6.0723 6.0723 6.1711 6.1711 11.0469 11.0469 11.8421 11.8421 11.8908 11.8908 13.2429 13.2429 13.8692 13.8692 15.5311 15.5311 k = 0.1288 0.2231-0.0000 ( 4126 PWs) bands (ev): -14.4403 -14.4403 -12.0155 -12.0155 -11.5699 -11.5699 -11.1832 -11.1832 -10.1758 -10.1758 -10.0620 -10.0620 -9.3273 -9.3273 -9.2473 -9.2473 -6.8127 -6.8127 -6.7670 -6.7670 -6.7286 -6.7286 -4.5693 -4.5693 -1.7246 -1.7246 -0.0830 -0.0830 0.9332 0.9332 1.1422 1.1422 1.3315 1.3315 2.0501 2.0501 2.3999 2.3999 3.6566 3.6566 4.2350 4.2350 4.5454 4.5454 4.8390 4.8390 4.9913 4.9913 5.1688 5.1688 5.3440 5.3440 5.6799 5.6799 6.0256 6.0256 6.0707 6.0707 6.1050 6.1050 11.0649 11.0649 11.8449 11.8449 11.8849 11.8849 13.2904 13.2904 13.8311 13.8311 15.5603 15.5603 k = 0.1212 0.2099-0.0000 ( 4130 PWs) bands (ev): -14.4665 -14.4665 -11.9643 -11.9643 -11.5630 -11.5630 -11.1966 -11.1966 -10.1592 -10.1592 -10.0600 -10.0600 -9.3284 -9.3284 -9.2504 -9.2504 -6.8127 -6.8127 -6.7682 -6.7682 -6.7305 -6.7305 -4.6428 -4.6428 -1.7345 -1.7345 -0.0917 -0.0917 0.9566 0.9566 1.1778 1.1778 1.3217 1.3217 1.9928 1.9928 2.4656 2.4656 3.7128 3.7128 4.2475 4.2475 4.5541 4.5541 4.8234 4.8234 4.9961 4.9961 5.1513 5.1513 5.3698 5.3698 5.6716 5.6716 6.0232 6.0232 6.0383 6.0383 6.0702 6.0702 11.0816 11.0816 11.8443 11.8443 11.8812 11.8812 13.3364 13.3364 13.7929 13.7929 15.5942 15.5942 k = 0.1136 0.1968-0.0000 ( 4120 PWs) bands (ev): -14.4914 -14.4914 -11.9145 -11.9145 -11.5563 -11.5563 -11.2096 -11.2096 -10.1434 -10.1434 -10.0575 -10.0575 -9.3296 -9.3296 -9.2536 -9.2536 -6.8128 -6.8128 -6.7693 -6.7693 -6.7323 -6.7323 -4.7139 -4.7139 -1.7445 -1.7445 -0.0982 -0.0982 0.9805 0.9805 1.2088 1.2088 1.3126 1.3126 1.9349 1.9349 2.5351 2.5351 3.7651 3.7651 4.2625 4.2625 4.5551 4.5551 4.8017 4.8017 5.0155 5.0155 5.1337 5.1337 5.3960 5.3960 5.6626 5.6626 5.9696 5.9696 6.0240 6.0240 6.0672 6.0672 11.0970 11.0970 11.8398 11.8398 11.8802 11.8802 13.3802 13.3802 13.7559 13.7559 15.6322 15.6322 k = 0.1061 0.1837-0.0000 ( 4118 PWs) bands (ev): -14.5147 -14.5147 -11.8665 -11.8665 -11.5498 -11.5498 -11.2221 -11.2221 -10.1285 -10.1285 -10.0548 -10.0548 -9.3307 -9.3307 -9.2567 -9.2567 -6.8129 -6.8129 -6.7703 -6.7703 -6.7340 -6.7340 -4.7822 -4.7822 -1.7544 -1.7544 -0.1025 -0.1025 1.0046 1.0046 1.2350 1.2350 1.3046 1.3046 1.8770 1.8770 2.6075 2.6075 3.8129 3.8129 4.2797 4.2797 4.5508 4.5508 4.7765 4.7765 5.0431 5.0431 5.1176 5.1176 5.4224 5.4224 5.6523 5.6523 5.9052 5.9052 6.0209 6.0209 6.0638 6.0638 11.1109 11.1109 11.8324 11.8324 11.8810 11.8810 13.4206 13.4206 13.7219 13.7219 15.6737 15.6737 k = 0.0985 0.1706-0.0000 ( 4110 PWs) bands (ev): -14.5366 -14.5366 -11.8205 -11.8205 -11.5435 -11.5435 -11.2341 -11.2341 -10.1144 -10.1144 -10.0518 -10.0518 -9.3319 -9.3319 -9.2599 -9.2599 -6.8130 -6.8130 -6.7713 -6.7713 -6.7356 -6.7356 -4.8475 -4.8475 -1.7641 -1.7641 -0.1047 -0.1047 1.0288 1.0288 1.2561 1.2561 1.2986 1.2986 1.8198 1.8198 2.6819 2.6819 3.8561 3.8561 4.2988 4.2988 4.5434 4.5434 4.7506 4.7506 5.0651 5.0651 5.1118 5.1118 5.4488 5.4488 5.6394 5.6394 5.8445 5.8445 6.0171 6.0171 6.0595 6.0595 11.1234 11.1234 11.8235 11.8235 11.8822 11.8822 13.4556 13.4556 13.6935 13.6935 15.7182 15.7182 k = 0.0909 0.1575-0.0000 ( 4116 PWs) bands (ev): -14.5569 -14.5569 -11.7766 -11.7766 -11.5375 -11.5375 -11.2457 -11.2457 -10.1011 -10.1011 -10.0487 -10.0487 -9.3332 -9.3332 -9.2631 -9.2631 -6.8130 -6.8130 -6.7722 -6.7722 -6.7371 -6.7371 -4.9095 -4.9095 -1.7735 -1.7735 -0.1052 -0.1052 1.0528 1.0528 1.2694 1.2694 1.2976 1.2976 1.7636 1.7636 2.7572 2.7572 3.8944 3.8944 4.3195 4.3195 4.5346 4.5346 4.7259 4.7259 5.0601 5.0601 5.1339 5.1339 5.4750 5.4750 5.6219 5.6219 5.7911 5.7911 6.0123 6.0123 6.0543 6.0543 11.1344 11.1344 11.8138 11.8138 11.8832 11.8832 13.4808 13.4808 13.6752 13.6752 15.7649 15.7649 k = 0.0833 0.1443-0.0000 ( 4120 PWs) bands (ev): -14.5757 -14.5757 -11.7351 -11.7351 -11.5317 -11.5317 -11.2567 -11.2567 -10.0889 -10.0889 -10.0454 -10.0454 -9.3344 -9.3344 -9.2661 -9.2661 -6.8131 -6.8131 -6.7731 -6.7731 -6.7385 -6.7385 -4.9679 -4.9679 -1.7825 -1.7825 -0.1040 -0.1040 1.0765 1.0765 1.2716 1.2716 1.3053 1.3053 1.7092 1.7092 2.8326 2.8326 3.9276 3.9276 4.3414 4.3414 4.5255 4.5255 4.7037 4.7037 5.0425 5.0425 5.1656 5.1656 5.5008 5.5008 5.5979 5.5979 5.7491 5.7491 6.0066 6.0066 6.0480 6.0480 11.1440 11.1440 11.8039 11.8039 11.8836 11.8836 13.4913 13.4913 13.6723 13.6723 15.8133 15.8133 k = 0.0758 0.1312-0.0000 ( 4124 PWs) bands (ev): -14.5930 -14.5930 -11.6964 -11.6964 -11.5261 -11.5261 -11.2670 -11.2670 -10.0775 -10.0775 -10.0421 -10.0421 -9.3356 -9.3356 -9.2691 -9.2691 -6.8132 -6.8132 -6.7739 -6.7739 -6.7397 -6.7397 -5.0224 -5.0224 -1.7910 -1.7910 -0.1013 -0.1013 1.0995 1.0995 1.2686 1.2686 1.3162 1.3162 1.6569 1.6569 2.9070 2.9070 3.9556 3.9556 4.3641 4.3641 4.5171 4.5171 4.6850 4.6850 5.0220 5.0220 5.1925 5.1925 5.5258 5.5258 5.5692 5.5692 5.7204 5.7204 6.0000 6.0000 6.0405 6.0405 11.1523 11.1523 11.7942 11.7942 11.8833 11.8833 13.4862 13.4862 13.6858 13.6858 15.8627 15.8627 k = 0.0682 0.1181-0.0000 ( 4128 PWs) bands (ev): -14.6086 -14.6086 -11.6605 -11.6605 -11.5207 -11.5207 -11.2768 -11.2768 -10.0672 -10.0672 -10.0388 -10.0388 -9.3368 -9.3368 -9.2719 -9.2719 -6.8132 -6.8132 -6.7746 -6.7746 -6.7408 -6.7408 -5.0728 -5.0728 -1.7989 -1.7989 -0.0975 -0.0975 1.1215 1.1215 1.2648 1.2648 1.3262 1.3262 1.6074 1.6074 2.9793 2.9793 3.9785 3.9785 4.3872 4.3872 4.5105 4.5105 4.6699 4.6699 5.0003 5.0003 5.2071 5.2071 5.5402 5.5402 5.5536 5.5536 5.7025 5.7025 5.9926 5.9926 6.0318 6.0318 11.1594 11.1594 11.7848 11.7848 11.8822 11.8822 13.4715 13.4715 13.7097 13.7097 15.9124 15.9124 k = 0.0606 0.1050-0.0000 ( 4132 PWs) bands (ev): -14.6227 -14.6227 -11.6278 -11.6278 -11.5155 -11.5155 -11.2858 -11.2858 -10.0580 -10.0580 -10.0355 -10.0355 -9.3380 -9.3380 -9.2746 -9.2746 -6.8133 -6.8133 -6.7752 -6.7752 -6.7417 -6.7417 -5.1187 -5.1187 -1.8061 -1.8061 -0.0927 -0.0927 1.1422 1.1422 1.2616 1.2616 1.3342 1.3342 1.5611 1.5611 3.0485 3.0485 3.9964 3.9964 4.4104 4.4104 4.5066 4.5066 4.6588 4.6588 4.9780 4.9780 5.2027 5.2027 5.5295 5.5295 5.5753 5.5753 5.6914 5.6914 5.9845 5.9845 6.0218 6.0218 11.1653 11.1653 11.7759 11.7759 11.8804 11.8804 13.4530 13.4530 13.7380 13.7380 15.9615 15.9615 k = 0.0530 0.0919-0.0000 ( 4120 PWs) bands (ev): -14.6351 -14.6351 -11.5985 -11.5985 -11.5106 -11.5106 -11.2940 -11.2940 -10.0499 -10.0499 -10.0324 -10.0324 -9.3391 -9.3391 -9.2770 -9.2770 -6.8133 -6.8133 -6.7758 -6.7758 -6.7425 -6.7425 -5.1600 -5.1600 -1.8126 -1.8126 -0.0875 -0.0875 1.1613 1.1613 1.2596 1.2596 1.3401 1.3401 1.5186 1.5186 3.1135 3.1135 4.0095 4.0095 4.4330 4.4330 4.5064 4.5064 4.6513 4.6513 4.9551 4.9551 5.1780 5.1780 5.5341 5.5341 5.5975 5.5975 5.6843 5.6843 5.9759 5.9759 6.0107 6.0107 11.1703 11.1703 11.7677 11.7677 11.8782 11.8782 13.4342 13.4342 13.7670 13.7670 16.0093 16.0093 k = 0.0455 0.0787-0.0000 ( 4116 PWs) bands (ev): -14.6459 -14.6459 -11.5729 -11.5729 -11.5059 -11.5059 -11.3014 -11.3014 -10.0429 -10.0429 -10.0294 -10.0294 -9.3401 -9.3401 -9.2792 -9.2792 -6.8134 -6.8134 -6.7763 -6.7763 -6.7432 -6.7432 -5.1963 -5.1963 -1.8184 -1.8184 -0.0819 -0.0819 1.1781 1.1781 1.2592 1.2592 1.3438 1.3438 1.4807 1.4807 3.1731 3.1731 4.0183 4.0183 4.4548 4.4548 4.5105 4.5105 4.6472 4.6472 4.9317 4.9317 5.1387 5.1387 5.5516 5.5516 5.6183 5.6183 5.6800 5.6800 5.9669 5.9669 5.9985 5.9985 11.1743 11.1743 11.7603 11.7603 11.8755 11.8755 13.4167 13.4167 13.7947 13.7947 16.0547 16.0547 k = 0.0379 0.0656-0.0000 ( 4120 PWs) bands (ev): -14.6551 -14.6551 -11.5513 -11.5513 -11.5013 -11.5013 -11.3079 -11.3079 -10.0372 -10.0372 -10.0266 -10.0266 -9.3409 -9.3409 -9.2811 -9.2811 -6.8134 -6.8134 -6.7767 -6.7767 -6.7437 -6.7437 -5.2275 -5.2275 -1.8233 -1.8233 -0.0765 -0.0765 1.1922 1.1922 1.2608 1.2608 1.3449 1.3449 1.4479 1.4479 3.2262 3.2262 4.0235 4.0235 4.4756 4.4756 4.5188 4.5188 4.6462 4.6462 4.9076 4.9076 5.0925 5.0925 5.5757 5.5757 5.6368 5.6368 5.6780 5.6780 5.9577 5.9577 5.9858 5.9858 11.1775 11.1775 11.7539 11.7539 11.8728 11.8728 13.4012 13.4012 13.8199 13.8199 16.0965 16.0965 k = 0.0303 0.0525-0.0000 ( 4114 PWs) bands (ev): -14.6626 -14.6626 -11.5342 -11.5342 -11.4966 -11.4966 -11.3133 -11.3133 -10.0327 -10.0327 -10.0240 -10.0240 -9.3417 -9.3417 -9.2827 -9.2827 -6.8134 -6.8134 -6.7771 -6.7771 -6.7441 -6.7441 -5.2533 -5.2533 -1.8274 -1.8274 -0.0714 -0.0714 1.2030 1.2030 1.2645 1.2645 1.3432 1.3432 1.4214 1.4214 3.2716 3.2716 4.0259 4.0259 4.4957 4.4957 4.5297 4.5297 4.6482 4.6482 4.8826 4.8826 5.0461 5.0461 5.6008 5.6008 5.6520 5.6520 5.6790 5.6790 5.9485 5.9485 5.9730 5.9730 11.1800 11.1800 11.7485 11.7485 11.8702 11.8702 13.3884 13.3884 13.8415 13.8415 16.1337 16.1337 k = 0.0227 0.0394-0.0000 ( 4110 PWs) bands (ev): -14.6684 -14.6684 -11.5218 -11.5218 -11.4918 -11.4918 -11.3177 -11.3177 -10.0295 -10.0295 -10.0216 -10.0216 -9.3423 -9.3423 -9.2840 -9.2840 -6.8135 -6.8135 -6.7774 -6.7774 -6.7444 -6.7444 -5.2735 -5.2735 -1.8306 -1.8306 -0.0672 -0.0672 1.2107 1.2107 1.2700 1.2700 1.3384 1.3384 1.4021 1.4021 3.3082 3.3082 4.0263 4.0263 4.5148 4.5148 4.5413 4.5413 4.6534 4.6534 4.8563 4.8563 5.0049 5.0049 5.6229 5.6229 5.6626 5.6626 5.6841 5.6841 5.9396 5.9396 5.9614 5.9614 11.1819 11.1819 11.7442 11.7442 11.8679 11.8679 13.3782 13.3782 13.8591 13.8591 16.1648 16.1648 k = 0.0152 0.0262-0.0000 ( 4105 PWs) bands (ev): -14.6726 -14.6726 -11.5139 -11.5139 -11.4873 -11.4873 -11.3209 -11.3209 -10.0274 -10.0274 -10.0197 -10.0197 -9.3427 -9.3427 -9.2849 -9.2849 -6.8135 -6.8135 -6.7776 -6.7776 -6.7445 -6.7445 -5.2881 -5.2881 -1.8329 -1.8329 -0.0639 -0.0639 1.2158 1.2158 1.2762 1.2762 1.3310 1.3310 1.3901 1.3901 3.3352 3.3352 4.0258 4.0258 4.5312 4.5312 4.5516 4.5516 4.6617 4.6617 4.8295 4.8295 4.9733 4.9733 5.6381 5.6381 5.6698 5.6698 5.6922 5.6922 5.9315 5.9315 5.9522 5.9522 11.1832 11.1832 11.7411 11.7411 11.8661 11.8661 13.3710 13.3710 13.8720 13.8720 16.1884 16.1884 k = 0.0076 0.0131-0.0000 ( 4107 PWs) bands (ev): -14.6751 -14.6751 -11.5097 -11.5097 -11.4839 -11.4839 -11.3228 -11.3228 -10.0262 -10.0262 -10.0184 -10.0184 -9.3430 -9.3430 -9.2854 -9.2854 -6.8135 -6.8135 -6.7777 -6.7777 -6.7447 -6.7447 -5.2969 -5.2969 -1.8343 -1.8343 -0.0618 -0.0618 1.2186 1.2186 1.2816 1.2816 1.3239 1.3239 1.3841 1.3841 3.3517 3.3517 4.0251 4.0251 4.5423 4.5423 4.5588 4.5588 4.6715 4.6715 4.8066 4.8066 4.9538 4.9538 5.6455 5.6455 5.6756 5.6756 5.6992 5.6992 5.9254 5.9254 5.9465 5.9465 11.1839 11.1839 11.7393 11.7393 11.8650 11.8650 13.3666 13.3666 13.8799 13.8799 16.2032 16.2032 k = 0.0000 0.0000 0.0000 ( 4109 PWs) bands (ev): -14.6759 -14.6759 -11.5085 -11.5085 -11.4826 -11.4826 -11.3235 -11.3235 -10.0258 -10.0258 -10.0180 -10.0180 -9.3431 -9.3431 -9.2856 -9.2856 -6.8135 -6.8135 -6.7777 -6.7777 -6.7447 -6.7447 -5.2998 -5.2998 -1.8347 -1.8347 -0.0611 -0.0611 1.2196 1.2196 1.2840 1.2840 1.3208 1.3208 1.3823 1.3823 3.3572 3.3572 4.0248 4.0248 4.5461 4.5461 4.5615 4.5615 4.6765 4.6765 4.7968 4.7968 4.9473 4.9473 5.6474 5.6474 5.6780 5.6780 5.7019 5.7019 5.9231 5.9231 5.9445 5.9445 11.1841 11.1841 11.7387 11.7387 11.8646 11.8646 13.3651 13.3651 13.8826 13.8826 16.2082 16.2082 k = 0.0000 0.0000 0.0000 ( 4109 PWs) bands (ev): -14.6759 -14.6759 -11.5085 -11.5085 -11.4826 -11.4826 -11.3235 -11.3235 -10.0258 -10.0258 -10.0180 -10.0180 -9.3431 -9.3431 -9.2856 -9.2856 -6.8135 -6.8135 -6.7777 -6.7777 -6.7447 -6.7447 -5.2998 -5.2998 -1.8347 -1.8347 -0.0611 -0.0611 1.2196 1.2196 1.2840 1.2840 1.3208 1.3208 1.3823 1.3823 3.3572 3.3572 4.0248 4.0248 4.5461 4.5461 4.5615 4.5615 4.6765 4.6765 4.7968 4.7968 4.9473 4.9473 5.6474 5.6474 5.6780 5.6780 5.7019 5.7019 5.9231 5.9231 5.9445 5.9445 11.1841 11.1841 11.7387 11.7387 11.8646 11.8646 13.3651 13.3651 13.8826 13.8826 16.2082 16.2082 k = 0.0000 0.0000 0.0153 ( 4103 PWs) bands (ev): -14.6759 -14.6759 -11.5083 -11.5083 -11.4825 -11.4825 -11.3238 -11.3238 -10.0264 -10.0264 -10.0185 -10.0185 -9.3428 -9.3428 -9.2852 -9.2852 -6.8134 -6.8134 -6.7775 -6.7775 -6.7446 -6.7446 -5.2998 -5.2998 -1.8325 -1.8325 -0.0613 -0.0613 1.2174 1.2174 1.2819 1.2819 1.3217 1.3217 1.3832 1.3832 3.3375 3.3375 4.0365 4.0365 4.5463 4.5463 4.5617 4.5617 4.6819 4.6819 4.8001 4.8001 4.9490 4.9490 5.6484 5.6484 5.6779 5.6779 5.7018 5.7018 5.9234 5.9234 5.9448 5.9448 11.1782 11.1782 11.7396 11.7396 11.8666 11.8666 13.3666 13.3666 13.8803 13.8803 16.2023 16.2023 k = 0.0000 0.0000 0.0306 ( 4121 PWs) bands (ev): -14.6756 -14.6756 -11.5079 -11.5079 -11.4821 -11.4821 -11.3246 -11.3246 -10.0280 -10.0280 -10.0202 -10.0202 -9.3418 -9.3418 -9.2841 -9.2841 -6.8133 -6.8133 -6.7770 -6.7770 -6.7443 -6.7443 -5.2997 -5.2997 -1.8260 -1.8260 -0.0618 -0.0618 1.2110 1.2110 1.2761 1.2761 1.3241 1.3241 1.3855 1.3855 3.2829 3.2829 4.0667 4.0667 4.5471 4.5471 4.5624 4.5624 4.6978 4.6978 4.8102 4.8102 4.9538 4.9538 5.6512 5.6512 5.6776 5.6776 5.7012 5.7012 5.9244 5.9244 5.9458 5.9458 11.1607 11.1607 11.7425 11.7425 11.8722 11.8722 13.3713 13.3713 13.8736 13.8736 16.1850 16.1850 k = 0.0000 0.0000 0.0459 ( 4115 PWs) bands (ev): -14.6752 -14.6752 -11.5073 -11.5073 -11.4814 -11.4814 -11.3259 -11.3259 -10.0307 -10.0307 -10.0228 -10.0228 -9.3401 -9.3401 -9.2822 -9.2822 -6.8130 -6.8130 -6.7760 -6.7760 -6.7437 -6.7437 -5.2995 -5.2995 -1.8150 -1.8150 -0.0625 -0.0625 1.2012 1.2012 1.2670 1.2670 1.3275 1.3275 1.3889 1.3889 3.2030 3.2030 4.1061 4.1061 4.5485 4.5485 4.5634 4.5634 4.7224 4.7224 4.8284 4.8284 4.9618 4.9618 5.6560 5.6560 5.6776 5.6776 5.7003 5.7003 5.9260 5.9260 5.9473 5.9473 11.1329 11.1329 11.7473 11.7473 11.8803 11.8803 13.3791 13.3791 13.8625 13.8625 16.1579 16.1579 k = 0.0000 0.0000 0.0612 ( 4109 PWs) bands (ev): -14.6746 -14.6746 -11.5064 -11.5064 -11.4804 -11.4804 -11.3278 -11.3278 -10.0344 -10.0344 -10.0265 -10.0265 -9.3379 -9.3379 -9.2795 -9.2795 -6.8127 -6.8127 -6.7746 -6.7746 -6.7430 -6.7430 -5.2993 -5.2993 -1.7997 -1.7997 -0.0636 -0.0636 1.1885 1.1885 1.2553 1.2553 1.3314 1.3314 1.3926 1.3926 3.1063 3.1063 4.1466 4.1466 4.5503 4.5503 4.5648 4.5648 4.7527 4.7527 4.8566 4.8566 4.9728 4.9728 5.6622 5.6622 5.6789 5.6789 5.6991 5.6991 5.9282 5.9282 5.9494 5.9494 11.0960 11.0960 11.7540 11.7540 11.8896 11.8896 13.3903 13.3903 13.8473 13.8473 16.1225 16.1225 k = 0.0000 0.0000 0.0766 ( 4091 PWs) bands (ev): -14.6738 -14.6738 -11.5052 -11.5052 -11.4792 -11.4792 -11.3302 -11.3302 -10.0391 -10.0391 -10.0311 -10.0311 -9.3351 -9.3351 -9.2762 -9.2762 -6.8122 -6.8122 -6.7729 -6.7729 -6.7420 -6.7420 -5.2990 -5.2990 -1.7801 -1.7801 -0.0649 -0.0649 1.1735 1.1735 1.2415 1.2415 1.3352 1.3352 1.3964 1.3964 2.9987 2.9987 4.1836 4.1836 4.5526 4.5526 4.5666 4.5666 4.7845 4.7845 4.8964 4.8964 4.9868 4.9868 5.6666 5.6666 5.6857 5.6857 5.6977 5.6977 5.9309 5.9309 5.9520 5.9520 11.0516 11.0516 11.7625 11.7625 11.8985 11.8985 13.4050 13.4050 13.8281 13.8281 16.0807 16.0807 k = 0.0000 0.0000 0.0919 ( 4079 PWs) bands (ev): -14.6729 -14.6729 -11.5038 -11.5038 -11.4777 -11.4777 -11.3330 -11.3330 -10.0446 -10.0446 -10.0366 -10.0366 -9.3318 -9.3318 -9.2723 -9.2723 -6.8117 -6.8117 -6.7709 -6.7709 -6.7408 -6.7408 -5.2986 -5.2986 -1.7562 -1.7562 -0.0665 -0.0665 1.1568 1.1568 1.2261 1.2261 1.3387 1.3387 1.3998 1.3998 2.8839 2.8839 4.2156 4.2156 4.5553 4.5553 4.5687 4.5687 4.8158 4.8158 4.9463 4.9463 5.0036 5.0036 5.6672 5.6672 5.6959 5.6959 5.7013 5.7013 5.9341 5.9341 5.9550 5.9550 11.0010 11.0010 11.7727 11.7727 11.9058 11.9058 13.4235 13.4235 13.8053 13.8053 16.0340 16.0340 k = 0.0000 0.0000 0.1072 ( 4079 PWs) bands (ev): -14.6719 -14.6719 -11.5022 -11.5022 -11.4760 -11.4760 -11.3363 -11.3363 -10.0510 -10.0510 -10.0429 -10.0429 -9.3280 -9.3280 -9.2679 -9.2679 -6.8111 -6.8111 -6.7685 -6.7685 -6.7395 -6.7395 -5.2982 -5.2982 -1.7281 -1.7281 -0.0684 -0.0684 1.1385 1.1385 1.2094 1.2094 1.3417 1.3417 1.4028 1.4028 2.7642 2.7642 4.2427 4.2427 4.5584 4.5584 4.5712 4.5712 4.8469 4.8469 5.0017 5.0017 5.0229 5.0229 5.6660 5.6660 5.6940 5.6940 5.7253 5.7253 5.9376 5.9376 5.9584 5.9584 10.9454 10.9454 11.7845 11.7845 11.9105 11.9105 13.4460 13.4460 13.7791 13.7791 15.9835 15.9835 k = 0.0000 0.0000 0.1225 ( 4091 PWs) bands (ev): -14.6707 -14.6707 -11.5004 -11.5004 -11.4741 -11.4741 -11.3399 -11.3399 -10.0580 -10.0580 -10.0499 -10.0499 -9.3238 -9.3238 -9.2630 -9.2630 -6.8105 -6.8105 -6.7659 -6.7659 -6.7379 -6.7379 -5.2978 -5.2978 -1.6959 -1.6959 -0.0704 -0.0704 1.1191 1.1191 1.1917 1.1917 1.3442 1.3442 1.4052 1.4052 2.6413 2.6413 4.2656 4.2656 4.5619 4.5619 4.5739 4.5739 4.8787 4.8787 5.0447 5.0447 5.0572 5.0572 5.6642 5.6642 5.6919 5.6919 5.7583 5.7583 5.9414 5.9414 5.9620 5.9620 10.8859 10.8859 11.7978 11.7978 11.9118 11.9118 13.4724 13.4724 13.7501 13.7501 15.9303 15.9303 k = 0.0000 0.0000 0.1378 ( 4091 PWs) bands (ev): -14.6695 -14.6695 -11.4983 -11.4983 -11.4719 -11.4719 -11.3439 -11.3439 -10.0657 -10.0657 -10.0575 -10.0575 -9.3194 -9.3194 -9.2577 -9.2577 -6.8099 -6.8099 -6.7630 -6.7630 -6.7361 -6.7361 -5.2972 -5.2972 -1.6596 -1.6596 -0.0727 -0.0727 1.0988 1.0988 1.1732 1.1732 1.3462 1.3462 1.4071 1.4071 2.5161 2.5161 4.2854 4.2854 4.5658 4.5658 4.5769 4.5769 4.9118 4.9118 5.0685 5.0685 5.1084 5.1084 5.6620 5.6620 5.6896 5.6896 5.8015 5.8015 5.9453 5.9453 5.9659 5.9659 10.8233 10.8233 11.8124 11.8124 11.9093 11.9093 13.5028 13.5028 13.7185 13.7185 15.8749 15.8749 k = 0.0000 0.0000 0.1531 ( 4097 PWs) bands (ev): -14.6681 -14.6681 -11.4962 -11.4962 -11.4696 -11.4696 -11.3482 -11.3482 -10.0738 -10.0738 -10.0656 -10.0656 -9.3147 -9.3147 -9.2522 -9.2522 -6.8092 -6.8092 -6.7599 -6.7599 -6.7342 -6.7342 -5.2967 -5.2967 -1.6193 -1.6193 -0.0752 -0.0752 1.0778 1.0778 1.1542 1.1542 1.3476 1.3476 1.4084 1.4084 2.3896 2.3896 4.3028 4.3028 4.5699 4.5699 4.5801 4.5801 4.9465 4.9465 5.0943 5.0943 5.1521 5.1521 5.6596 5.6596 5.6873 5.6873 5.8557 5.8557 5.9494 5.9494 5.9698 5.9698 10.7582 10.7582 11.8282 11.8282 11.9029 11.9029 13.5372 13.5372 13.6849 13.6849 15.8180 15.8180 k = 0.0000 0.0000 0.1684 ( 4103 PWs) bands (ev): -14.6666 -14.6666 -11.4939 -11.4939 -11.4672 -11.4672 -11.3528 -11.3528 -10.0823 -10.0823 -10.0740 -10.0740 -9.3098 -9.3098 -9.2464 -9.2464 -6.8085 -6.8085 -6.7565 -6.7565 -6.7321 -6.7321 -5.2961 -5.2961 -1.5752 -1.5752 -0.0777 -0.0777 1.0564 1.0564 1.1348 1.1348 1.3485 1.3485 1.4091 1.4091 2.2624 2.2624 4.3185 4.3185 4.5743 4.5743 4.5834 4.5834 4.9827 4.9827 5.1217 5.1217 5.1871 5.1871 5.6571 5.6571 5.6849 5.6849 5.9205 5.9205 5.9534 5.9534 5.9736 5.9736 10.6913 10.6913 11.8449 11.8449 11.8926 11.8926 13.5754 13.5754 13.6496 13.6496 15.7598 15.7598 k = 0.0000 0.0000 0.1837 ( 4103 PWs) bands (ev): -14.6651 -14.6651 -11.4914 -11.4914 -11.4646 -11.4646 -11.3576 -11.3576 -10.0911 -10.0911 -10.0828 -10.0828 -9.3049 -9.3049 -9.2405 -9.2405 -6.8079 -6.8079 -6.7531 -6.7531 -6.7299 -6.7299 -5.2955 -5.2955 -1.5273 -1.5273 -0.0805 -0.0805 1.0347 1.0347 1.1152 1.1152 1.3489 1.3489 1.4094 1.4094 2.1349 2.1349 4.3330 4.3330 4.5788 4.5788 4.5870 4.5870 5.0201 5.0201 5.1504 5.1504 5.2134 5.2134 5.6545 5.6545 5.6825 5.6825 5.9572 5.9572 5.9774 5.9774 5.9947 5.9947 10.6231 10.6231 11.8623 11.8623 11.8791 11.8791 13.6132 13.6132 13.6172 13.6172 15.7007 15.7007 k = 0.0000 0.0000 0.1990 ( 4115 PWs) bands (ev): -14.6635 -14.6635 -11.4889 -11.4889 -11.4619 -11.4619 -11.3625 -11.3625 -10.1001 -10.1001 -10.0917 -10.0917 -9.2999 -9.2999 -9.2345 -9.2345 -6.8072 -6.8072 -6.7495 -6.7495 -6.7276 -6.7276 -5.2949 -5.2949 -1.4758 -1.4758 -0.0832 -0.0832 1.0130 1.0130 1.0956 1.0956 1.3489 1.3489 1.4092 1.4092 2.0076 2.0076 4.3466 4.3466 4.5834 4.5834 4.5906 4.5906 5.0584 5.0584 5.1802 5.1802 5.2321 5.2321 5.6520 5.6520 5.6801 5.6801 5.9609 5.9609 5.9810 5.9810 6.0761 6.0761 10.5541 10.5541 11.8610 11.8610 11.8816 11.8816 13.5760 13.5760 13.6623 13.6623 15.6408 15.6408 k = 0.0000 0.0000 0.2144 ( 4121 PWs) bands (ev): -14.6619 -14.6619 -11.4863 -11.4863 -11.4592 -11.4592 -11.3674 -11.3674 -10.1091 -10.1091 -10.1007 -10.1007 -9.2949 -9.2949 -9.2285 -9.2285 -6.8066 -6.8066 -6.7458 -6.7458 -6.7252 -6.7252 -5.2943 -5.2943 -1.4209 -1.4209 -0.0861 -0.0861 0.9915 0.9915 1.0761 1.0761 1.3485 1.3485 1.4086 1.4086 1.8809 1.8809 4.3595 4.3595 4.5881 4.5881 4.5942 4.5942 5.0972 5.0972 5.2107 5.2107 5.2447 5.2447 5.6494 5.6494 5.6778 5.6778 5.9642 5.9642 5.9843 5.9843 6.1627 6.1627 10.4848 10.4848 11.8414 11.8414 11.9001 11.9001 13.5385 13.5385 13.7103 13.7103 15.5804 15.5804 k = 0.0000 0.0000 0.2297 ( 4115 PWs) bands (ev): -14.6603 -14.6603 -11.4837 -11.4837 -11.4564 -11.4564 -11.3725 -11.3725 -10.1181 -10.1181 -10.1096 -10.1096 -9.2900 -9.2900 -9.2226 -9.2226 -6.8060 -6.8060 -6.7422 -6.7422 -6.7227 -6.7227 -5.2936 -5.2936 -1.3627 -1.3627 -0.0889 -0.0889 0.9704 0.9704 1.0571 1.0571 1.3478 1.3478 1.4077 1.4077 1.7553 1.7553 4.3719 4.3719 4.5927 4.5927 4.5979 4.5979 5.1359 5.1359 5.2416 5.2416 5.2530 5.2530 5.6470 5.6470 5.6755 5.6755 5.9672 5.9672 5.9872 5.9872 6.2524 6.2524 10.4155 10.4155 11.8194 11.8194 11.9190 11.9190 13.5011 13.5011 13.7611 13.7611 15.5194 15.5194 k = 0.0000 0.0000 0.2450 ( 4115 PWs) bands (ev): -14.6587 -14.6587 -11.4811 -11.4811 -11.4536 -11.4536 -11.3774 -11.3774 -10.1269 -10.1269 -10.1184 -10.1184 -9.2852 -9.2852 -9.2169 -9.2169 -6.8055 -6.8055 -6.7385 -6.7385 -6.7202 -6.7202 -5.2930 -5.2930 -1.3014 -1.3014 -0.0917 -0.0917 0.9498 0.9498 1.0386 1.0386 1.3467 1.3467 1.4066 1.4066 1.6310 1.6310 4.3838 4.3838 4.5974 4.5974 4.6015 4.6015 5.1732 5.1732 5.2588 5.2588 5.2726 5.2726 5.6446 5.6446 5.6734 5.6734 5.9696 5.9696 5.9898 5.9898 6.3434 6.3434 10.3468 10.3468 11.7957 11.7957 11.9380 11.9380 13.4643 13.4643 13.8143 13.8143 15.4580 15.4580 k = 0.0000 0.0000 0.2603 ( 4121 PWs) bands (ev): -14.6571 -14.6571 -11.4785 -11.4785 -11.4508 -11.4508 -11.3823 -11.3823 -10.1355 -10.1355 -10.1270 -10.1270 -9.2806 -9.2806 -9.2114 -9.2114 -6.8050 -6.8050 -6.7349 -6.7349 -6.7177 -6.7177 -5.2923 -5.2923 -1.2373 -1.2373 -0.0945 -0.0945 0.9300 0.9300 1.0208 1.0208 1.3449 1.3449 1.4053 1.4053 1.5089 1.5089 4.3953 4.3953 4.6019 4.6019 4.6050 4.6050 5.2062 5.2062 5.2657 5.2657 5.3033 5.3033 5.6423 5.6423 5.6714 5.6714 5.9714 5.9714 5.9918 5.9918 6.4342 6.4342 10.2791 10.2791 11.7710 11.7710 11.9568 11.9568 13.4285 13.4285 13.8695 13.8695 15.3962 15.3962 k = 0.0000 0.0000 0.2756 ( 4120 PWs) bands (ev): -14.6555 -14.6555 -11.4759 -11.4759 -11.4481 -11.4481 -11.3871 -11.3871 -10.1438 -10.1438 -10.1353 -10.1353 -9.2762 -9.2762 -9.2061 -9.2061 -6.8046 -6.8046 -6.7314 -6.7314 -6.7153 -6.7153 -5.2917 -5.2917 -1.1706 -1.1706 -0.0972 -0.0972 0.9110 0.9110 1.0038 1.0038 1.3390 1.3390 1.3928 1.3928 1.4038 1.4038 4.4064 4.4064 4.6062 4.6062 4.6084 4.6084 5.2274 5.2274 5.2817 5.2817 5.3336 5.3336 5.6401 5.6401 5.6696 5.6696 5.9726 5.9726 5.9932 5.9932 6.5235 6.5235 10.2129 10.2129 11.7457 11.7457 11.9752 11.9752 13.3940 13.3940 13.9265 13.9265 15.3340 15.3340 k = 0.0000 0.0000 0.2909 ( 4120 PWs) bands (ev): -14.6540 -14.6540 -11.4735 -11.4735 -11.4455 -11.4455 -11.3916 -11.3916 -10.1516 -10.1516 -10.1432 -10.1432 -9.2721 -9.2721 -9.2011 -9.2011 -6.8041 -6.8041 -6.7281 -6.7281 -6.7129 -6.7129 -5.2912 -5.2912 -1.1019 -1.1019 -0.0998 -0.0998 0.8931 0.8931 0.9878 0.9878 1.2637 1.2637 1.3486 1.3486 1.4023 1.4023 4.4169 4.4169 4.6104 4.6104 4.6116 4.6116 5.2338 5.2338 5.3099 5.3099 5.3628 5.3628 5.6381 5.6381 5.6679 5.6679 5.9731 5.9731 5.9942 5.9942 6.6101 6.6101 10.1488 10.1488 11.7206 11.7206 11.9929 11.9929 13.3612 13.3612 13.9850 13.9850 15.2716 15.2716 k = 0.0000 0.0000 0.3062 ( 4120 PWs) bands (ev): -14.6526 -14.6526 -11.4711 -11.4711 -11.4430 -11.4430 -11.3959 -11.3959 -10.1590 -10.1590 -10.1505 -10.1505 -9.2683 -9.2683 -9.1965 -9.1965 -6.8038 -6.8038 -6.7249 -6.7249 -6.7107 -6.7107 -5.2906 -5.2906 -1.0314 -1.0314 -0.1022 -0.1022 0.8762 0.8762 0.9729 0.9729 1.1508 1.1508 1.3451 1.3451 1.4007 1.4007 4.4269 4.4269 4.6143 4.6143 4.6147 4.6147 5.2331 5.2331 5.3427 5.3427 5.3909 5.3909 5.6362 5.6362 5.6664 5.6664 5.9729 5.9729 5.9946 5.9946 6.6928 6.6928 10.0874 10.0874 11.6962 11.6962 12.0097 12.0097 13.3304 13.3304 14.0448 14.0448 15.2089 15.2089 k = 0.0000 0.0000 0.3215 ( 4120 PWs) bands (ev): -14.6513 -14.6513 -11.4689 -11.4689 -11.4407 -11.4407 -11.3999 -11.3999 -10.1658 -10.1658 -10.1573 -10.1573 -9.2648 -9.2648 -9.1922 -9.1922 -6.8034 -6.8034 -6.7220 -6.7220 -6.7085 -6.7085 -5.2901 -5.2901 -0.9600 -0.9600 -0.1045 -0.1045 0.8601 0.8601 0.9592 0.9592 1.0402 1.0402 1.3433 1.3433 1.3991 1.3991 4.4363 4.4363 4.6175 4.6175 4.6179 4.6179 5.2299 5.2299 5.3755 5.3755 5.4173 5.4173 5.6345 5.6345 5.6651 5.6651 5.9721 5.9721 5.9945 5.9945 6.7708 6.7708 10.0293 10.0293 11.6728 11.6728 12.0254 12.0254 13.3021 13.3021 14.1056 14.1056 15.1460 15.1460 k = 0.0000 0.0000 0.3368 ( 4114 PWs) bands (ev): -14.6501 -14.6501 -11.4669 -11.4669 -11.4386 -11.4386 -11.4035 -11.4035 -10.1720 -10.1720 -10.1635 -10.1635 -9.2617 -9.2617 -9.1884 -9.1884 -6.8031 -6.8031 -6.7193 -6.7193 -6.7066 -6.7066 -5.2896 -5.2896 -0.8882 -0.8882 -0.1065 -0.1065 0.8437 0.8437 0.9357 0.9357 0.9469 0.9469 1.3420 1.3420 1.3977 1.3977 4.4449 4.4449 4.6201 4.6201 4.6211 4.6211 5.2256 5.2256 5.4067 5.4067 5.4417 5.4417 5.6330 5.6330 5.6641 5.6641 5.9707 5.9707 5.9939 5.9939 6.8429 6.8429 9.9753 9.9753 11.6511 11.6511 12.0398 12.0398 13.2763 13.2763 14.1671 14.1671 15.0829 15.0829 k = 0.0000 0.0000 0.3522 ( 4156 PWs) bands (ev): -14.6491 -14.6491 -11.4652 -11.4652 -11.4367 -11.4367 -11.4067 -11.4067 -10.1774 -10.1774 -10.1690 -10.1690 -9.2589 -9.2589 -9.1851 -9.1851 -6.8029 -6.8029 -6.7169 -6.7169 -6.7049 -6.7049 -5.2892 -5.2892 -0.8173 -0.8173 -0.1084 -0.1084 0.8105 0.8105 0.8550 0.8550 0.9360 0.9360 1.3408 1.3408 1.3963 1.3963 4.4526 4.4526 4.6223 4.6223 4.6240 4.6240 5.2211 5.2211 5.4354 5.4354 5.4638 5.4638 5.6317 5.6317 5.6633 5.6633 5.9687 5.9687 5.9929 5.9929 6.9081 6.9081 9.9261 9.9261 11.6313 11.6313 12.0527 12.0527 13.2534 13.2534 14.2292 14.2292 15.0197 15.0197 k = 0.0000 0.0000 0.3675 ( 4156 PWs) bands (ev): -14.6482 -14.6482 -11.4636 -11.4636 -11.4350 -11.4350 -11.4095 -11.4095 -10.1822 -10.1822 -10.1737 -10.1737 -9.2566 -9.2566 -9.1822 -9.1822 -6.8027 -6.8027 -6.7148 -6.7148 -6.7033 -6.7033 -5.2888 -5.2888 -0.7489 -0.7489 -0.1100 -0.1100 0.7288 0.7288 0.8317 0.8317 0.9266 0.9266 1.3397 1.3397 1.3951 1.3951 4.4594 4.4594 4.6243 4.6243 4.6265 4.6265 5.2166 5.2166 5.4610 5.4610 5.4832 5.4832 5.6306 5.6306 5.6627 5.6627 5.9665 5.9665 5.9917 5.9917 6.9655 6.9655 9.8826 9.8826 11.6139 11.6139 12.0639 12.0639 13.2337 13.2337 14.2916 14.2916 14.9567 14.9567 k = 0.0000 0.0000 0.3828 ( 4144 PWs) bands (ev): -14.6474 -14.6474 -11.4623 -11.4623 -11.4336 -11.4336 -11.4118 -11.4118 -10.1861 -10.1861 -10.1777 -10.1777 -9.2546 -9.2546 -9.1798 -9.1798 -6.8025 -6.8025 -6.7131 -6.7131 -6.7021 -6.7021 -5.2885 -5.2885 -0.6849 -0.6849 -0.1113 -0.1113 0.6454 0.6454 0.8211 0.8211 0.9189 0.9189 1.3389 1.3389 1.3941 1.3941 4.4651 4.4651 4.6259 4.6259 4.6286 4.6286 5.2127 5.2127 5.4829 5.4829 5.4995 5.4995 5.6297 5.6297 5.6624 5.6624 5.9642 5.9642 5.9904 5.9904 7.0141 7.0141 9.8455 9.8455 11.5993 11.5993 12.0733 12.0733 13.2173 13.2173 14.3537 14.3537 14.8941 14.8941 k = 0.0000 0.0000 0.3981 ( 4138 PWs) bands (ev): -14.6468 -14.6468 -11.4612 -11.4612 -11.4325 -11.4325 -11.4137 -11.4137 -10.1892 -10.1892 -10.1808 -10.1808 -9.2531 -9.2531 -9.1779 -9.1779 -6.8024 -6.8024 -6.7117 -6.7117 -6.7010 -6.7010 -5.2883 -5.2883 -0.6284 -0.6284 -0.1124 -0.1124 0.5729 0.5729 0.8136 0.8136 0.9128 0.9128 1.3382 1.3382 1.3933 1.3933 4.4697 4.4697 4.6272 4.6272 4.6303 4.6303 5.2094 5.2094 5.5006 5.5006 5.5126 5.5126 5.6290 5.6290 5.6622 5.6622 5.9620 5.9620 5.9892 5.9892 7.0530 7.0530 9.8158 9.8158 11.5876 11.5876 12.0808 12.0808 13.2044 13.2044 14.4151 14.4151 14.8325 14.8325 k = 0.0000 0.0000 0.4134 ( 4138 PWs) bands (ev): -14.6463 -14.6463 -11.4605 -11.4605 -11.4317 -11.4317 -11.4150 -11.4150 -10.1914 -10.1914 -10.1830 -10.1830 -9.2519 -9.2519 -9.1765 -9.1765 -6.8023 -6.8023 -6.7107 -6.7107 -6.7003 -6.7003 -5.2881 -5.2881 -0.5832 -0.5832 -0.1131 -0.1131 0.5160 0.5160 0.8085 0.8085 0.9084 0.9084 1.3377 1.3377 1.3927 1.3927 4.4731 4.4731 4.6282 4.6282 4.6314 4.6314 5.2069 5.2069 5.5136 5.5136 5.5220 5.5220 5.6285 5.6285 5.6621 5.6621 5.9602 5.9602 5.9881 5.9881 7.0814 7.0814 9.7939 9.7939 11.5791 11.5791 12.0862 12.0862 13.1951 13.1951 14.4739 14.4739 14.7736 14.7736 k = 0.0000 0.0000 0.4287 ( 4138 PWs) bands (ev): -14.6461 -14.6461 -11.4600 -11.4600 -11.4312 -11.4312 -11.4158 -11.4158 -10.1928 -10.1928 -10.1844 -10.1844 -9.2513 -9.2513 -9.1757 -9.1757 -6.8023 -6.8023 -6.7101 -6.7101 -6.6999 -6.6999 -5.2880 -5.2880 -0.5536 -0.5536 -0.1136 -0.1136 0.4793 0.4793 0.8054 0.8054 0.9057 0.9057 1.3374 1.3374 1.3923 1.3923 4.4751 4.4751 4.6287 4.6287 4.6321 4.6321 5.2053 5.2053 5.5215 5.5215 5.5278 5.5278 5.6282 5.6282 5.6621 5.6621 5.9590 5.9590 5.9875 5.9875 7.0987 7.0987 9.7806 9.7806 11.5740 11.5740 12.0895 12.0895 13.1894 13.1894 14.5249 14.5249 14.7225 14.7225 k = 0.0000 0.0000 0.4440 ( 4138 PWs) bands (ev): -14.6460 -14.6460 -11.4599 -11.4599 -11.4311 -11.4311 -11.4161 -11.4161 -10.1932 -10.1932 -10.1848 -10.1848 -9.2511 -9.2511 -9.1754 -9.1754 -6.8022 -6.8022 -6.7099 -6.7099 -6.6997 -6.6997 -5.2880 -5.2880 -0.5432 -0.5432 -0.1137 -0.1137 0.4666 0.4666 0.8044 0.8044 0.9049 0.9049 1.3373 1.3373 1.3922 1.3922 4.4758 4.4758 4.6289 4.6289 4.6324 4.6324 5.2048 5.2048 5.5242 5.5242 5.5297 5.5297 5.6282 5.6282 5.6622 5.6622 5.9586 5.9586 5.9872 5.9872 7.1045 7.1045 9.7761 9.7761 11.5722 11.5722 12.0906 12.0906 13.1875 13.1875 14.5494 14.5494 14.6980 14.6980 k = 0.0000 0.0000 0.4440 ( 4138 PWs) bands (ev): -14.6460 -14.6460 -11.4599 -11.4599 -11.4311 -11.4311 -11.4161 -11.4161 -10.1932 -10.1932 -10.1848 -10.1848 -9.2511 -9.2511 -9.1754 -9.1754 -6.8022 -6.8022 -6.7099 -6.7099 -6.6997 -6.6997 -5.2880 -5.2880 -0.5432 -0.5432 -0.1137 -0.1137 0.4666 0.4666 0.8044 0.8044 0.9049 0.9049 1.3373 1.3373 1.3922 1.3922 4.4758 4.4758 4.6289 4.6289 4.6324 4.6324 5.2048 5.2048 5.5242 5.5242 5.5297 5.5297 5.6282 5.6282 5.6622 5.6622 5.9586 5.9586 5.9872 5.9872 7.1045 7.1045 9.7761 9.7761 11.5722 11.5722 12.0906 12.0906 13.1875 13.1875 14.5494 14.5494 14.6980 14.6980 k = 0.0132 0.0076 0.4440 ( 4138 PWs) bands (ev): -14.6451 -14.6451 -11.4613 -11.4613 -11.4327 -11.4327 -11.4151 -11.4151 -10.1931 -10.1931 -10.1848 -10.1848 -9.2512 -9.2512 -9.1756 -9.1756 -6.8023 -6.8023 -6.7100 -6.7100 -6.6998 -6.6998 -5.2852 -5.2852 -0.5440 -0.5440 -0.1142 -0.1142 0.4583 0.4583 0.8098 0.8098 0.9097 0.9097 1.3390 1.3390 1.3939 1.3939 4.4770 4.4770 4.6234 4.6234 4.6305 4.6305 5.2087 5.2087 5.5232 5.5232 5.5284 5.5284 5.6247 5.6247 5.6587 5.6587 5.9596 5.9596 5.9880 5.9880 7.1043 7.1043 9.7803 9.7803 11.5708 11.5708 12.0915 12.0915 13.1875 13.1875 14.5469 14.5469 14.7010 14.7010 k = 0.0263 0.0152 0.4440 ( 4140 PWs) bands (ev): -14.6427 -14.6427 -11.4660 -11.4660 -11.4371 -11.4371 -11.4124 -11.4124 -10.1929 -10.1929 -10.1844 -10.1844 -9.2517 -9.2517 -9.1761 -9.1761 -6.8023 -6.8023 -6.7103 -6.7103 -6.7000 -6.7000 -5.2769 -5.2769 -0.5463 -0.5463 -0.1155 -0.1155 0.4357 0.4357 0.8232 0.8232 0.9252 0.9252 1.3438 1.3438 1.3994 1.3994 4.4807 4.4807 4.6039 4.6039 4.6282 4.6282 5.2200 5.2200 5.5201 5.5201 5.5247 5.5247 5.6132 5.6132 5.6500 5.6500 5.9625 5.9625 5.9901 5.9901 7.1038 7.1038 9.7930 9.7930 11.5664 11.5664 12.0943 12.0943 13.1873 13.1873 14.5400 14.5400 14.7098 14.7098 k = 0.0395 0.0228 0.4440 ( 4144 PWs) bands (ev): -14.6386 -14.6386 -11.4745 -11.4745 -11.4430 -11.4430 -11.4085 -11.4085 -10.1927 -10.1927 -10.1836 -10.1836 -9.2524 -9.2524 -9.1770 -9.1770 -6.8024 -6.8024 -6.7109 -6.7109 -6.7004 -6.7004 -5.2630 -5.2630 -0.5503 -0.5503 -0.1176 -0.1176 0.4032 0.4032 0.8384 0.8384 0.9526 0.9526 1.3506 1.3506 1.4097 1.4097 4.4867 4.4867 4.5726 4.5726 4.6252 4.6252 5.2371 5.2371 5.5140 5.5140 5.5192 5.5192 5.5917 5.5917 5.6391 5.6391 5.9668 5.9668 5.9933 5.9933 7.1029 7.1029 9.8139 9.8139 11.5593 11.5593 12.0988 12.0988 13.1871 13.1871 14.5293 14.5293 14.7234 14.7234 k = 0.0526 0.0304 0.4440 ( 4148 PWs) bands (ev): -14.6329 -14.6329 -11.4878 -11.4878 -11.4493 -11.4493 -11.4035 -11.4035 -10.1929 -10.1929 -10.1822 -10.1822 -9.2535 -9.2535 -9.1781 -9.1781 -6.8025 -6.8025 -6.7116 -6.7116 -6.7008 -6.7008 -5.2438 -5.2438 -0.5558 -0.5558 -0.1204 -0.1204 0.3649 0.3649 0.8526 0.8526 0.9910 0.9910 1.3582 1.3582 1.4260 1.4260 4.4944 4.4944 4.5316 4.5316 4.6213 4.6213 5.2581 5.2581 5.5044 5.5044 5.5121 5.5121 5.5603 5.5603 5.6281 5.6281 5.9719 5.9719 5.9972 5.9972 7.1015 7.1015 9.8426 9.8426 11.5499 11.5499 12.1045 12.1045 13.1872 13.1872 14.5158 14.5158 14.7411 14.7411 k = 0.0658 0.0380 0.4440 ( 4148 PWs) bands (ev): -14.6255 -14.6255 -11.5062 -11.5062 -11.4554 -11.4554 -11.3975 -11.3975 -10.1937 -10.1937 -10.1799 -10.1799 -9.2549 -9.2549 -9.1796 -9.1796 -6.8026 -6.8026 -6.7125 -6.7125 -6.7015 -6.7015 -5.2192 -5.2192 -0.5630 -0.5630 -0.1236 -0.1236 0.3236 0.3236 0.8658 0.8658 1.0373 1.0373 1.3656 1.3656 1.4488 1.4488 4.4827 4.4827 4.5030 4.5030 4.6174 4.6174 5.2812 5.2812 5.4909 5.4909 5.5026 5.5026 5.5218 5.5218 5.6174 5.6174 5.9775 5.9775 6.0013 6.0013 7.0996 7.0996 9.8784 9.8784 11.5384 11.5384 12.1110 12.1110 13.1877 13.1877 14.5001 14.5001 14.7621 14.7621 k = 0.0789 0.0456 0.4440 ( 4144 PWs) bands (ev): -14.6165 -14.6165 -11.5293 -11.5293 -11.4614 -11.4614 -11.3905 -11.3905 -10.1950 -10.1950 -10.1770 -10.1770 -9.2565 -9.2565 -9.1814 -9.1814 -6.8028 -6.8028 -6.7136 -6.7136 -6.7022 -6.7022 -5.1895 -5.1895 -0.5718 -0.5718 -0.1271 -0.1271 0.2809 0.2809 0.8791 0.8791 1.0886 1.0886 1.3729 1.3729 1.4781 1.4781 4.4273 4.4273 4.5111 4.5111 4.6147 4.6147 5.3045 5.3045 5.4638 5.4638 5.4827 5.4827 5.4959 5.4959 5.6072 5.6072 5.9830 5.9830 6.0055 6.0055 7.0972 7.0972 9.9208 9.9208 11.5252 11.5252 12.1179 12.1179 13.1889 13.1889 14.4829 14.4829 14.7861 14.7861 k = 0.0921 0.0532 0.4440 ( 4140 PWs) bands (ev): -14.6059 -14.6059 -11.5567 -11.5567 -11.4675 -11.4675 -11.3826 -11.3826 -10.1968 -10.1968 -10.1735 -10.1735 -9.2585 -9.2585 -9.1835 -9.1835 -6.8030 -6.8030 -6.7150 -6.7150 -6.7030 -6.7030 -5.1548 -5.1548 -0.5823 -0.5823 -0.1306 -0.1306 0.2380 0.2380 0.8931 0.8931 1.1428 1.1428 1.3802 1.3802 1.5134 1.5134 4.3667 4.3667 4.5160 4.5160 4.6152 4.6152 5.3259 5.3259 5.4133 5.4133 5.4635 5.4635 5.4840 5.4840 5.5977 5.5977 5.9881 5.9881 6.0093 6.0093 7.0941 7.0941 9.9689 9.9689 11.5107 11.5107 12.1247 12.1247 13.1912 13.1912 14.4645 14.4645 14.8127 14.8127 k = 0.1053 0.0608 0.4440 ( 4144 PWs) bands (ev): -14.5938 -14.5938 -11.5881 -11.5881 -11.4737 -11.4737 -11.3737 -11.3737 -10.1991 -10.1991 -10.1695 -10.1695 -9.2607 -9.2607 -9.1859 -9.1859 -6.8032 -6.8032 -6.7165 -6.7165 -6.7039 -6.7039 -5.1153 -5.1153 -0.5944 -0.5944 -0.1340 -0.1340 0.1957 0.1957 0.9084 0.9084 1.1987 1.1987 1.3878 1.3878 1.5543 1.5543 4.3017 4.3017 4.5152 4.5152 4.6212 4.6212 5.3421 5.3421 5.3554 5.3554 5.4448 5.4448 5.4742 5.4742 5.5890 5.5890 5.9928 5.9928 6.0127 6.0127 7.0902 7.0902 10.0220 10.0220 11.4953 11.4953 12.1310 12.1310 13.1947 13.1947 14.4452 14.4452 14.8415 14.8415 k = 0.1184 0.0684 0.4440 ( 4150 PWs) bands (ev): -14.5800 -14.5800 -11.6230 -11.6230 -11.4803 -11.4803 -11.3639 -11.3639 -10.2020 -10.2020 -10.1652 -10.1652 -9.2632 -9.2632 -9.1885 -9.1885 -6.8035 -6.8035 -6.7182 -6.7182 -6.7048 -6.7048 -5.0712 -5.0712 -0.6082 -0.6082 -0.1373 -0.1373 0.1547 0.1547 0.9252 0.9252 1.2551 1.2551 1.3959 1.3959 1.6003 1.6003 4.2334 4.2334 4.5073 4.5073 4.6332 4.6332 5.2938 5.2938 5.3487 5.3487 5.4258 5.4258 5.4693 5.4693 5.5813 5.5813 5.9967 5.9967 6.0154 6.0154 7.0854 7.0854 10.0793 10.0793 11.4792 11.4792 12.1365 12.1365 13.1998 13.1998 14.4256 14.4256 14.8723 14.8723 k = 0.1316 0.0760 0.4440 ( 4138 PWs) bands (ev): -14.5647 -14.5647 -11.6612 -11.6612 -11.4871 -11.4871 -11.3532 -11.3532 -10.2054 -10.2054 -10.1606 -10.1606 -9.2659 -9.2659 -9.1914 -9.1914 -6.8039 -6.8039 -6.7201 -6.7201 -6.7058 -6.7058 -5.0228 -5.0228 -0.6236 -0.6236 -0.1404 -0.1404 0.1156 0.1156 0.9435 0.9435 1.3111 1.3111 1.4049 1.4049 1.6509 1.6509 4.1623 4.1623 4.4930 4.4930 4.6500 4.6500 5.2304 5.2304 5.3424 5.3424 5.4061 5.4061 5.4720 5.4720 5.5751 5.5751 6.0000 6.0000 6.0176 6.0176 7.0797 7.0797 10.1398 10.1398 11.4629 11.4629 12.1409 12.1409 13.2065 13.2065 14.4058 14.4058 14.9049 14.9049 k = 0.1447 0.0836 0.4440 ( 4138 PWs) bands (ev): -14.5478 -14.5478 -11.7025 -11.7025 -11.4942 -11.4942 -11.3416 -11.3416 -10.2094 -10.2094 -10.1557 -10.1557 -9.2688 -9.2688 -9.1944 -9.1944 -6.8043 -6.8043 -6.7221 -6.7221 -6.7069 -6.7069 -4.9703 -4.9703 -0.6408 -0.6408 -0.1438 -0.1438 0.0792 0.0792 0.9635 0.9635 1.3653 1.3653 1.4157 1.4157 1.7060 1.7060 4.0891 4.0891 4.4730 4.4730 4.6693 4.6693 5.1671 5.1671 5.3252 5.3252 5.3853 5.3853 5.4791 5.4791 5.5719 5.5719 6.0025 6.0025 6.0192 6.0192 7.0730 7.0730 10.2028 10.2028 11.4466 11.4466 12.1440 12.1440 13.2151 13.2151 14.3864 14.3864 14.9388 14.9388 k = 0.1579 0.0912 0.4440 ( 4138 PWs) bands (ev): -14.5294 -14.5294 -11.7464 -11.7464 -11.5016 -11.5016 -11.3290 -11.3290 -10.2140 -10.2140 -10.1507 -10.1507 -9.2720 -9.2720 -9.1977 -9.1977 -6.8047 -6.8047 -6.7243 -6.7243 -6.7080 -6.7080 -4.9140 -4.9140 -0.6596 -0.6596 -0.1481 -0.1481 0.0465 0.0465 0.9851 0.9851 1.4088 1.4088 1.4366 1.4366 1.7649 1.7649 4.0146 4.0146 4.4479 4.4479 4.6887 4.6887 5.1063 5.1063 5.3013 5.3013 5.3633 5.3633 5.4843 5.4843 5.5743 5.5743 6.0042 6.0042 6.0202 6.0202 7.0652 7.0652 10.2674 10.2674 11.4307 11.4307 12.1456 12.1456 13.2256 13.2256 14.3676 14.3676 14.9738 14.9738 k = 0.1711 0.0988 0.4440 ( 4134 PWs) bands (ev): -14.5095 -14.5095 -11.7928 -11.7928 -11.5092 -11.5092 -11.3156 -11.3156 -10.2193 -10.2193 -10.1455 -10.1455 -9.2754 -9.2754 -9.2011 -9.2011 -6.8052 -6.8052 -6.7266 -6.7266 -6.7091 -6.7091 -4.8542 -4.8542 -0.6802 -0.6802 -0.1547 -0.1547 0.0194 0.0194 1.0082 1.0082 1.4270 1.4270 1.4817 1.4817 1.8273 1.8273 3.9393 3.9393 4.4175 4.4175 4.7055 4.7055 5.0514 5.0514 5.2737 5.2737 5.3403 5.3403 5.4827 5.4827 5.5842 5.5842 6.0052 6.0052 6.0207 6.0207 7.0563 7.0563 10.3327 10.3327 11.4153 11.4153 12.1458 12.1458 13.2379 13.2379 14.3499 14.3499 15.0096 15.0096 k = 0.1842 0.1064 0.4440 ( 4130 PWs) bands (ev): -14.4882 -14.4882 -11.8414 -11.8414 -11.5171 -11.5171 -11.3012 -11.3012 -10.2253 -10.2253 -10.1403 -10.1403 -9.2789 -9.2789 -9.2046 -9.2046 -6.8058 -6.8058 -6.7289 -6.7289 -6.7102 -6.7102 -4.7911 -4.7911 -0.7023 -0.7023 -0.1651 -0.1651 -0.0004 -0.0004 1.0329 1.0329 1.4390 1.4390 1.5316 1.5316 1.8928 1.8928 3.8639 3.8639 4.3816 4.3816 4.7155 4.7155 5.0069 5.0069 5.2437 5.2437 5.3167 5.3167 5.4739 5.4739 5.6004 5.6004 6.0053 6.0053 6.0207 6.0207 7.0463 7.0463 10.3978 10.3978 11.4009 11.4009 12.1446 12.1446 13.2520 13.2520 14.3335 14.3335 15.0460 15.0460 k = 0.1974 0.1140 0.4440 ( 4126 PWs) bands (ev): -14.4654 -14.4654 -11.8919 -11.8919 -11.5251 -11.5251 -11.2861 -11.2861 -10.2320 -10.2320 -10.1350 -10.1350 -9.2826 -9.2826 -9.2082 -9.2082 -6.8065 -6.8065 -6.7314 -6.7314 -6.7113 -6.7113 -4.7251 -4.7251 -0.7261 -0.7261 -0.1807 -0.1807 -0.0114 -0.0114 1.0590 1.0590 1.4503 1.4503 1.5800 1.5800 1.9610 1.9610 3.7893 3.7893 4.3398 4.3398 4.7142 4.7142 4.9782 4.9782 5.2121 5.2121 5.2930 5.2930 5.4597 5.4597 5.6203 5.6203 6.0046 6.0046 6.0205 6.0205 7.0350 7.0350 10.4620 10.4620 11.3878 11.3878 12.1421 12.1421 13.2676 13.2676 14.3188 14.3188 15.0826 15.0826 k = 0.2105 0.1215 0.4440 ( 4122 PWs) bands (ev): -14.4412 -14.4412 -11.9440 -11.9440 -11.5332 -11.5332 -11.2701 -11.2701 -10.2395 -10.2395 -10.1297 -10.1297 -9.2864 -9.2864 -9.2119 -9.2119 -6.8072 -6.8072 -6.7339 -6.7339 -6.7123 -6.7123 -4.6565 -4.6565 -0.7514 -0.7514 -0.2012 -0.2012 -0.0134 -0.0134 1.0863 1.0863 1.4618 1.4618 1.6257 1.6257 2.0312 2.0312 3.7162 3.7162 4.2917 4.2917 4.6991 4.6991 4.9677 4.9677 5.1796 5.1796 5.2698 5.2698 5.4415 5.4415 5.6422 5.6422 6.0029 6.0029 6.0202 6.0202 7.0227 7.0227 10.5242 10.5242 11.3765 11.3765 12.1383 12.1383 13.2847 13.2847 14.3060 14.3060 15.1192 15.1192 k = 0.2237 0.1291 0.4440 ( 4122 PWs) bands (ev): -14.4157 -14.4157 -11.9976 -11.9976 -11.5413 -11.5413 -11.2533 -11.2533 -10.2478 -10.2478 -10.1245 -10.1245 -9.2904 -9.2904 -9.2156 -9.2156 -6.8080 -6.8080 -6.7363 -6.7363 -6.7134 -6.7134 -4.5857 -4.5857 -0.7782 -0.7782 -0.2252 -0.2252 -0.0078 -0.0078 1.1148 1.1148 1.4734 1.4734 1.6678 1.6678 2.1031 2.1031 3.6455 3.6455 4.2375 4.2375 4.6735 4.6735 4.9714 4.9714 5.1467 5.1467 5.2481 5.2481 5.4201 5.4201 5.6651 5.6651 6.0003 6.0003 6.0198 6.0198 7.0092 7.0092 10.5835 10.5835 11.3673 11.3673 12.1334 12.1334 13.3029 13.3029 14.2953 14.2953 15.1555 15.1555 k = 0.2368 0.1367 0.4440 ( 4116 PWs) bands (ev): -14.3888 -14.3888 -12.0524 -12.0524 -11.5495 -11.5495 -11.2359 -11.2359 -10.2569 -10.2569 -10.1192 -10.1192 -9.2944 -9.2944 -9.2194 -9.2194 -6.8088 -6.8088 -6.7388 -6.7388 -6.7144 -6.7144 -4.5129 -4.5129 -0.8065 -0.8065 -0.2512 -0.2512 0.0041 0.0041 1.1443 1.1443 1.4853 1.4853 1.7056 1.7056 2.1763 2.1763 3.5783 3.5783 4.1778 4.1778 4.6428 4.6428 4.9816 4.9816 5.1141 5.1141 5.2295 5.2295 5.3959 5.3959 5.6883 5.6883 5.9968 5.9968 6.0193 6.0193 6.9946 6.9946 10.6390 10.6390 11.3611 11.3611 12.1277 12.1277 13.3220 13.3220 14.2871 14.2871 15.1913 15.1913 k = 0.2500 0.1443 0.4440 ( 4116 PWs) bands (ev): -14.3607 -14.3607 -12.1081 -12.1081 -11.5576 -11.5576 -11.2177 -11.2177 -10.2669 -10.2669 -10.1141 -10.1141 -9.2984 -9.2984 -9.2231 -9.2231 -6.8098 -6.8098 -6.7412 -6.7412 -6.7154 -6.7154 -4.4386 -4.4386 -0.8362 -0.8362 -0.2779 -0.2779 0.0211 0.0211 1.1746 1.1746 1.4973 1.4973 1.7381 1.7381 2.2504 2.2504 3.5158 3.5158 4.1135 4.1135 4.6112 4.6112 4.9896 4.9896 5.0836 5.0836 5.2166 5.2166 5.3692 5.3692 5.7116 5.7116 5.9924 5.9924 6.0189 6.0189 6.9791 6.9791 10.6896 10.6896 11.3583 11.3583 12.1211 12.1211 13.3418 13.3418 14.2814 14.2814 15.2263 15.2263 k = 0.2632 0.1519 0.4440 ( 4116 PWs) bands (ev): -14.3315 -14.3315 -12.1645 -12.1645 -11.5656 -11.5656 -11.1989 -11.1989 -10.2776 -10.2776 -10.1091 -10.1091 -9.3026 -9.3026 -9.2268 -9.2268 -6.8108 -6.8108 -6.7436 -6.7436 -6.7164 -6.7164 -4.3630 -4.3630 -0.8672 -0.8672 -0.3045 -0.3045 0.0424 0.0424 1.2055 1.2055 1.5093 1.5093 1.7643 1.7643 2.3248 2.3248 3.4590 3.4590 4.0458 4.0458 4.5807 4.5807 4.9859 4.9859 5.0585 5.0585 5.2130 5.2130 5.3403 5.3403 5.7349 5.7349 5.9872 5.9872 6.0184 6.0184 6.9626 6.9626 10.7344 10.7344 11.3596 11.3596 12.1140 12.1140 13.3619 13.3619 14.2784 14.2784 15.2603 15.2603 k = 0.2763 0.1595 0.4440 ( 4112 PWs) bands (ev): -14.3011 -14.3011 -12.2214 -12.2214 -11.5735 -11.5735 -11.1796 -11.1796 -10.2892 -10.2892 -10.1041 -10.1041 -9.3067 -9.3067 -9.2304 -9.2304 -6.8119 -6.8119 -6.7459 -6.7459 -6.7173 -6.7173 -4.2866 -4.2866 -0.8993 -0.8993 -0.3305 -0.3305 0.0678 0.0678 1.2367 1.2367 1.5215 1.5215 1.7831 1.7831 2.3993 2.3993 3.4092 3.4092 3.9759 3.9759 4.5520 4.5520 4.9661 4.9661 5.0394 5.0394 5.2210 5.2210 5.3095 5.3095 5.7580 5.7580 5.9810 5.9810 6.0180 6.0180 6.9453 6.9453 10.7725 10.7725 11.3657 11.3657 12.1065 12.1065 13.3821 13.3821 14.2781 14.2781 15.2932 15.2932 k = 0.2895 0.1671 0.4440 ( 4130 PWs) bands (ev): -14.2698 -14.2698 -12.2785 -12.2785 -11.5812 -11.5812 -11.1597 -11.1597 -10.3015 -10.3015 -10.0993 -10.0993 -9.3108 -9.3108 -9.2339 -9.2339 -6.8130 -6.8130 -6.7481 -6.7481 -6.7182 -6.7182 -4.2099 -4.2099 -0.9325 -0.9325 -0.3556 -0.3556 0.0969 0.0969 1.2680 1.2680 1.5337 1.5337 1.7935 1.7935 2.4734 2.4734 3.3677 3.3677 3.9050 3.9050 4.5255 4.5255 4.9353 4.9353 5.0212 5.0212 5.2398 5.2398 5.2770 5.2770 5.7808 5.7808 5.9741 5.9741 6.0175 6.0175 6.9273 6.9273 10.8035 10.8035 11.3767 11.3767 12.0986 12.0986 13.4022 13.4022 14.2805 14.2805 15.3246 15.3246 k = 0.3026 0.1747 0.4440 ( 4130 PWs) bands (ev): -14.2375 -14.2375 -12.3355 -12.3355 -11.5887 -11.5887 -11.1395 -11.1395 -10.3146 -10.3146 -10.0947 -10.0947 -9.3148 -9.3148 -9.2373 -9.2373 -6.8142 -6.8142 -6.7502 -6.7502 -6.7190 -6.7190 -4.1331 -4.1331 -0.9666 -0.9666 -0.3796 -0.3796 0.1295 0.1295 1.2991 1.2991 1.5458 1.5458 1.7947 1.7947 2.5468 2.5468 3.3352 3.3352 3.8342 3.8342 4.5010 4.5010 4.8995 4.8995 5.0005 5.0005 5.2426 5.2426 5.2668 5.2668 5.8031 5.8031 5.9664 5.9664 6.0171 6.0171 6.9087 6.9087 10.8273 10.8273 11.3927 11.3927 12.0905 12.0905 13.4218 13.4218 14.2856 14.2856 15.3545 15.3545 k = 0.3158 0.1823 0.4440 ( 4140 PWs) bands (ev): -14.2045 -14.2045 -12.3923 -12.3923 -11.5959 -11.5959 -11.1189 -11.1189 -10.3283 -10.3283 -10.0903 -10.0903 -9.3188 -9.3188 -9.2405 -9.2405 -6.8154 -6.8154 -6.7521 -6.7521 -6.7197 -6.7197 -4.0567 -4.0567 -1.0014 -1.0014 -0.4024 -0.4024 0.1654 0.1654 1.3296 1.3296 1.5579 1.5579 1.7860 1.7860 2.6190 2.6190 3.3126 3.3126 3.7644 3.7644 4.4785 4.4785 4.8613 4.8613 4.9775 4.9775 5.2077 5.2077 5.2979 5.2979 5.8250 5.8250 5.9579 5.9579 6.0168 6.0168 6.8897 6.8897 10.8442 10.8442 11.4130 11.4130 12.0823 12.0823 13.4409 13.4409 14.2931 14.2931 15.3826 15.3826 k = 0.3289 0.1899 0.4440 ( 4140 PWs) bands (ev): -14.1708 -14.1708 -12.4486 -12.4486 -11.6028 -11.6028 -11.0981 -11.0981 -10.3427 -10.3427 -10.0860 -10.0860 -9.3226 -9.3226 -9.2436 -9.2436 -6.8166 -6.8166 -6.7540 -6.7540 -6.7204 -6.7204 -3.9813 -3.9813 -1.0367 -1.0367 -0.4238 -0.4238 0.2047 0.2047 1.3591 1.3591 1.5700 1.5700 1.7675 1.7675 2.6898 2.6898 3.2997 3.2997 3.6964 3.6964 4.4579 4.4579 4.8218 4.8218 4.9533 4.9533 5.1719 5.1719 5.3317 5.3317 5.8461 5.8461 5.9485 5.9485 6.0165 6.0165 6.8705 6.8705 10.8552 10.8552 11.4369 11.4369 12.0741 12.0741 13.4592 13.4592 14.3030 14.3030 15.4087 15.4087 k = 0.3421 0.1975 0.4440 ( 4136 PWs) bands (ev): -14.1367 -14.1367 -12.5040 -12.5040 -11.6093 -11.6093 -11.0772 -11.0772 -10.3576 -10.3576 -10.0820 -10.0820 -9.3264 -9.3264 -9.2465 -9.2465 -6.8178 -6.8178 -6.7556 -6.7556 -6.7210 -6.7210 -3.9073 -3.9073 -1.0724 -1.0724 -0.4438 -0.4438 0.2471 0.2471 1.3874 1.3874 1.5819 1.5819 1.7395 1.7395 2.7587 2.7587 3.2964 3.2964 3.6310 3.6310 4.4392 4.4392 4.7815 4.7815 4.9286 4.9286 5.1356 5.1356 5.3668 5.3668 5.8664 5.8664 5.9384 5.9384 6.0165 6.0165 6.8512 6.8512 10.8612 10.8612 11.4632 11.4632 12.0659 12.0659 13.4766 13.4766 14.3149 14.3149 15.4326 15.4326 k = 0.3553 0.2051 0.4440 ( 4132 PWs) bands (ev): -14.1024 -14.1024 -12.5583 -12.5583 -11.6155 -11.6155 -11.0564 -11.0564 -10.3729 -10.3729 -10.0782 -10.0782 -9.3299 -9.3299 -9.2492 -9.2492 -6.8191 -6.8191 -6.7572 -6.7572 -6.7216 -6.7216 -3.8354 -3.8354 -1.1080 -1.1080 -0.4623 -0.4623 0.2926 0.2926 1.4137 1.4137 1.5935 1.5935 1.7031 1.7031 2.8254 2.8254 3.3015 3.3015 3.5687 3.5687 4.4223 4.4223 4.7408 4.7408 4.9040 4.9040 5.0992 5.0992 5.4024 5.4024 5.8856 5.8856 5.9275 5.9275 6.0168 6.0168 6.8319 6.8319 10.8633 10.8633 11.4908 11.4908 12.0578 12.0578 13.4929 13.4929 14.3284 14.3284 15.4540 15.4540 k = 0.3684 0.2127 0.4440 ( 4128 PWs) bands (ev): -14.0681 -14.0681 -12.6111 -12.6111 -11.6212 -11.6212 -11.0357 -11.0357 -10.3885 -10.3885 -10.0746 -10.0746 -9.3333 -9.3333 -9.2517 -9.2517 -6.8203 -6.8203 -6.7586 -6.7586 -6.7221 -6.7221 -3.7660 -3.7660 -1.1432 -1.1432 -0.4793 -0.4793 0.3411 0.3411 1.4376 1.4376 1.6029 1.6029 1.6615 1.6615 2.8894 2.8894 3.3138 3.3138 3.5103 3.5103 4.4072 4.4072 4.7000 4.7000 4.8799 4.8799 5.0633 5.0633 5.4379 5.4379 5.9031 5.9031 5.9159 5.9159 6.0176 6.0176 6.8131 6.8131 10.8625 10.8625 11.5187 11.5187 12.0499 12.0499 13.5080 13.5080 14.3433 14.3433 15.4728 15.4728 k = 0.3816 0.2203 0.4440 ( 4138 PWs) bands (ev): -14.0342 -14.0342 -12.6620 -12.6620 -11.6265 -11.6265 -11.0154 -11.0154 -10.4042 -10.4042 -10.0713 -10.0713 -9.3364 -9.3364 -9.2539 -9.2539 -6.8214 -6.8214 -6.7599 -6.7599 -6.7225 -6.7225 -3.6998 -3.6998 -1.1776 -1.1776 -0.4947 -0.4947 0.3924 0.3924 1.4581 1.4581 1.5923 1.5923 1.6343 1.6343 2.9504 2.9504 3.3312 3.3312 3.4567 3.4567 4.3938 4.3938 4.6596 4.6596 4.8567 4.8567 5.0281 5.0281 5.4729 5.4729 5.9025 5.9025 5.9199 5.9199 6.0192 6.0192 6.7947 6.7947 10.8598 10.8598 11.5461 11.5461 12.0422 12.0422 13.5218 13.5218 14.3590 14.3590 15.4889 15.4889 k = 0.3947 0.2279 0.4440 ( 4142 PWs) bands (ev): -14.0011 -14.0011 -12.7105 -12.7105 -11.6313 -11.6313 -10.9957 -10.9957 -10.4197 -10.4197 -10.0683 -10.0683 -9.3393 -9.3393 -9.2560 -9.2560 -6.8225 -6.8225 -6.7610 -6.7610 -6.7229 -6.7229 -3.6376 -3.6376 -1.2108 -1.2108 -0.5086 -0.5086 0.4464 0.4464 1.4721 1.4721 1.5470 1.5470 1.6402 1.6402 3.0079 3.0079 3.3495 3.3495 3.4107 3.4107 4.3821 4.3821 4.6201 4.6201 4.8348 4.8348 4.9942 4.9942 5.5071 5.5071 5.8890 5.8890 5.9337 5.9337 6.0218 6.0218 6.7772 6.7772 10.8559 10.8559 11.5723 11.5723 12.0348 12.0348 13.5343 13.5343 14.3750 14.3750 15.5020 15.5020 k = 0.4079 0.2355 0.4440 ( 4140 PWs) bands (ev): -13.9692 -13.9692 -12.7561 -12.7561 -11.6355 -11.6355 -10.9769 -10.9769 -10.4348 -10.4348 -10.0656 -10.0656 -9.3420 -9.3420 -9.2578 -9.2578 -6.8235 -6.8235 -6.7620 -6.7620 -6.7233 -6.7233 -3.5800 -3.5800 -1.2423 -1.2423 -0.5209 -0.5209 0.5028 0.5028 1.4589 1.4589 1.5157 1.5157 1.6520 1.6520 3.0614 3.0614 3.3457 3.3457 3.3942 3.3942 4.3721 4.3721 4.5821 4.5821 4.8146 4.8146 4.9621 4.9621 5.5404 5.5404 5.8744 5.8744 5.9451 5.9451 6.0257 6.0257 6.7608 6.7608 10.8513 10.8513 11.5967 11.5967 12.0277 12.0277 13.5454 13.5454 14.3909 14.3909 15.5124 15.5124 k = 0.4211 0.2431 0.4440 ( 4136 PWs) bands (ev): -13.9391 -13.9391 -12.7982 -12.7982 -11.6393 -11.6393 -10.9593 -10.9593 -10.4492 -10.4492 -10.0633 -10.0633 -9.3443 -9.3443 -9.2594 -9.2594 -6.8244 -6.8244 -6.7628 -6.7628 -6.7235 -6.7235 -3.5278 -3.5278 -1.2714 -1.2714 -0.5315 -0.5315 0.5615 0.5615 1.4042 1.4042 1.5187 1.5187 1.6646 1.6646 3.1103 3.1103 3.3125 3.3125 3.4131 3.4131 4.3637 4.3637 4.5463 4.5463 4.7962 4.7962 4.9324 4.9324 5.5726 5.5726 5.8589 5.8589 5.9539 5.9539 6.0308 6.0308 6.7457 6.7457 10.8465 10.8465 11.6189 11.6189 12.0211 12.0211 13.5551 13.5551 14.4061 14.4061 15.5200 15.5200 k = 0.4342 0.2507 0.4440 ( 4128 PWs) bands (ev): -13.9115 -13.9115 -12.8360 -12.8360 -11.6425 -11.6425 -10.9432 -10.9432 -10.4626 -10.4626 -10.0613 -10.0613 -9.3463 -9.3463 -9.2607 -9.2607 -6.8251 -6.8251 -6.7635 -6.7635 -6.7238 -6.7238 -3.4819 -3.4819 -1.2975 -1.2975 -0.5406 -0.5406 0.6222 0.6222 1.3392 1.3392 1.5271 1.5271 1.6767 1.6767 3.1539 3.1539 3.2795 3.2795 3.4366 3.4366 4.3568 4.3568 4.5135 4.5135 4.7801 4.7801 4.9056 4.9056 5.6035 5.6035 5.8423 5.8423 5.9602 5.9602 6.0367 6.0367 6.7323 6.7323 10.8420 10.8420 11.6384 11.6384 12.0151 12.0151 13.5633 13.5633 14.4200 14.4200 15.5254 15.5254 k = 0.4474 0.2583 0.4440 ( 4124 PWs) bands (ev): -13.8872 -13.8872 -12.8687 -12.8687 -11.6451 -11.6451 -10.9292 -10.9292 -10.4745 -10.4745 -10.0596 -10.0596 -9.3480 -9.3480 -9.2618 -9.2618 -6.8258 -6.8258 -6.7641 -6.7641 -6.7240 -6.7240 -3.4429 -3.4429 -1.3200 -1.3200 -0.5480 -0.5480 0.6843 0.6843 1.2715 1.2715 1.5345 1.5345 1.6877 1.6877 3.1910 3.1910 3.2516 3.2516 3.4588 3.4588 4.3514 4.3514 4.4847 4.4847 4.7665 4.7665 4.8825 4.8825 5.6331 5.6331 5.8246 5.8246 5.9644 5.9644 6.0429 6.0429 6.7208 6.7208 10.8379 10.8379 11.6550 11.6550 12.0098 12.0098 13.5701 13.5701 14.4322 14.4322 15.5289 15.5289 k = 0.4605 0.2659 0.4440 ( 4132 PWs) bands (ev): -13.8671 -13.8671 -12.8954 -12.8954 -11.6472 -11.6472 -10.9175 -10.9175 -10.4844 -10.4844 -10.0583 -10.0583 -9.3493 -9.3493 -9.2627 -9.2627 -6.8263 -6.8263 -6.7645 -6.7645 -6.7241 -6.7241 -3.4117 -3.4117 -1.3383 -1.3383 -0.5538 -0.5538 0.7470 0.7470 1.2037 1.2037 1.5402 1.5402 1.6969 1.6969 3.2183 3.2183 3.2325 3.2325 3.4777 3.4777 4.3473 4.3473 4.4609 4.4609 4.7556 4.7556 4.8637 4.8637 5.6611 5.6611 5.8059 5.8059 5.9671 5.9671 6.0486 6.0486 6.7115 6.7115 10.8345 10.8345 11.6682 11.6682 12.0054 12.0054 13.5753 13.5753 14.4422 14.4422 15.5310 15.5310 k = 0.4737 0.2735 0.4440 ( 4124 PWs) bands (ev): -13.8519 -13.8519 -12.9153 -12.9153 -11.6487 -11.6487 -10.9088 -10.9088 -10.4919 -10.4919 -10.0573 -10.0573 -9.3502 -9.3502 -9.2633 -9.2633 -6.8267 -6.8267 -6.7648 -6.7648 -6.7242 -6.7242 -3.3889 -3.3889 -1.3519 -1.3519 -0.5579 -0.5579 0.8082 0.8082 1.1385 1.1385 1.5441 1.5441 1.7038 1.7038 3.2111 3.2111 3.2461 3.2461 3.4921 3.4921 4.3445 4.3445 4.4429 4.4429 4.7477 4.7477 4.8498 4.8498 5.6874 5.6874 5.7864 5.7864 5.9687 5.9687 6.0531 6.0531 6.7046 6.7046 10.8319 10.8319 11.6780 11.6780 12.0021 12.0021 13.5791 13.5791 14.4496 14.4496 15.5321 15.5321 k = 0.4868 0.2811 0.4440 ( 4126 PWs) bands (ev): -13.8424 -13.8424 -12.9276 -12.9276 -11.6496 -11.6496 -10.9033 -10.9033 -10.4966 -10.4966 -10.0567 -10.0567 -9.3508 -9.3508 -9.2637 -9.2637 -6.8269 -6.8269 -6.7650 -6.7650 -6.7243 -6.7243 -3.3750 -3.3750 -1.3602 -1.3602 -0.5604 -0.5604 0.8620 0.8620 1.0821 1.0821 1.5465 1.5465 1.7081 1.7081 3.2017 3.2017 3.2596 3.2596 3.5011 3.5011 4.3429 4.3429 4.4318 4.4318 4.7429 4.7429 4.8412 4.8412 5.7110 5.7110 5.7668 5.7668 5.9695 5.9695 6.0560 6.0560 6.7004 6.7004 10.8303 10.8303 11.6839 11.6839 12.0000 12.0000 13.5813 13.5813 14.4542 14.4542 15.5326 15.5326 k = 0.5000 0.2887 0.4440 ( 4140 PWs) bands (ev): -13.8392 -13.8392 -12.9318 -12.9318 -11.6499 -11.6499 -10.9015 -10.9015 -10.4982 -10.4982 -10.0566 -10.0566 -9.3510 -9.3510 -9.2638 -9.2638 -6.8270 -6.8270 -6.7651 -6.7651 -6.7243 -6.7243 -3.3703 -3.3703 -1.3630 -1.3630 -0.5612 -0.5612 0.8879 0.8879 1.0554 1.0554 1.5472 1.5472 1.7095 1.7095 3.1985 3.1985 3.2642 3.2642 3.5041 3.5041 4.3424 4.3424 4.4280 4.4280 4.7412 4.7412 4.8383 4.8383 5.7246 5.7246 5.7545 5.7545 5.9698 5.9698 6.0569 6.0569 6.6990 6.6990 10.8298 10.8298 11.6859 11.6859 11.9993 11.9993 13.5821 13.5821 14.4557 14.4557 15.5328 15.5328 k = 0.5000 0.2887 0.4440 ( 4140 PWs) bands (ev): -13.8392 -13.8392 -12.9318 -12.9318 -11.6499 -11.6499 -10.9015 -10.9015 -10.4982 -10.4982 -10.0566 -10.0566 -9.3510 -9.3510 -9.2638 -9.2638 -6.8270 -6.8270 -6.7651 -6.7651 -6.7243 -6.7243 -3.3703 -3.3703 -1.3630 -1.3630 -0.5612 -0.5612 0.8879 0.8879 1.0554 1.0554 1.5472 1.5472 1.7095 1.7095 3.1985 3.1985 3.2642 3.2642 3.5041 3.5041 4.3424 4.3424 4.4280 4.4280 4.7412 4.7412 4.8383 4.8383 5.7246 5.7246 5.7545 5.7545 5.9698 5.9698 6.0569 6.0569 6.6990 6.6990 10.8298 10.8298 11.6859 11.6859 11.9993 11.9993 13.5821 13.5821 14.4557 14.4557 15.5328 15.5328 k = 0.4924 0.3018 0.4440 ( 4132 PWs) bands (ev): -13.8383 -13.8383 -12.9328 -12.9328 -11.6503 -11.6503 -10.9010 -10.9010 -10.4988 -10.4988 -10.0563 -10.0563 -9.3510 -9.3510 -9.2639 -9.2639 -6.8270 -6.8270 -6.7651 -6.7651 -6.7244 -6.7244 -3.3679 -3.3679 -1.3657 -1.3657 -0.5600 -0.5600 0.8836 0.8836 1.0543 1.0543 1.5526 1.5526 1.7122 1.7122 3.1969 3.1969 3.2634 3.2634 3.4998 3.4998 4.3443 4.3443 4.4293 4.4293 4.7372 4.7372 4.8444 4.8444 5.7251 5.7251 5.7528 5.7528 5.9699 5.9699 6.0574 6.0574 6.6974 6.6974 10.8301 10.8301 11.6808 11.6808 12.0051 12.0051 13.5815 13.5815 14.4543 14.4543 15.5333 15.5333 k = 0.4848 0.3149 0.4440 ( 4124 PWs) bands (ev): -13.8355 -13.8355 -12.9358 -12.9358 -11.6515 -11.6515 -10.8997 -10.8997 -10.5005 -10.5005 -10.0555 -10.0555 -9.3510 -9.3510 -9.2641 -9.2641 -6.8269 -6.8269 -6.7653 -6.7653 -6.7246 -6.7246 -3.3605 -3.3605 -1.3736 -1.3736 -0.5563 -0.5563 0.8715 0.8715 1.0508 1.0508 1.5684 1.5684 1.7202 1.7202 3.1923 3.1923 3.2609 3.2609 3.4870 3.4870 4.3497 4.3497 4.4335 4.4335 4.7273 4.7273 4.8606 4.8606 5.7265 5.7265 5.7477 5.7477 5.9701 5.9701 6.0588 6.0588 6.6925 6.6925 10.8308 10.8308 11.6668 11.6668 12.0213 12.0213 13.5798 13.5798 14.4501 14.4501 15.5346 15.5346 k = 0.4773 0.3280 0.4440 ( 4124 PWs) bands (ev): -13.8308 -13.8308 -12.9408 -12.9408 -11.6534 -11.6534 -10.8974 -10.8974 -10.5034 -10.5034 -10.0542 -10.0542 -9.3510 -9.3510 -9.2644 -9.2644 -6.8269 -6.8269 -6.7655 -6.7655 -6.7249 -6.7249 -3.3483 -3.3483 -1.3868 -1.3868 -0.5503 -0.5503 0.8526 0.8526 1.0450 1.0450 1.5935 1.5935 1.7332 1.7332 3.1849 3.1849 3.2568 3.2568 3.4664 3.4664 4.3575 4.3575 4.4412 4.4412 4.7150 4.7150 4.8830 4.8830 5.7287 5.7287 5.7396 5.7396 5.9706 5.9706 6.0607 6.0607 6.6844 6.6844 10.8320 10.8320 11.6462 11.6462 12.0456 12.0456 13.5768 13.5768 14.4433 14.4433 15.5366 15.5366 k = 0.4697 0.3412 0.4440 ( 4120 PWs) bands (ev): -13.8243 -13.8243 -12.9478 -12.9478 -11.6561 -11.6561 -10.8942 -10.8942 -10.5073 -10.5073 -10.0525 -10.0525 -9.3510 -9.3510 -9.2648 -9.2648 -6.8267 -6.8267 -6.7659 -6.7659 -6.7254 -6.7254 -3.3312 -3.3312 -1.4051 -1.4051 -0.5419 -0.5419 0.8287 0.8287 1.0370 1.0370 1.6262 1.6262 1.7510 1.7510 3.1750 3.1750 3.2507 3.2507 3.4387 3.4387 4.3661 4.3661 4.4529 4.4529 4.7025 4.7025 4.9096 4.9096 5.7280 5.7280 5.7326 5.7326 5.9712 5.9712 6.0630 6.0630 6.6732 6.6732 10.8337 10.8337 11.6215 11.6215 12.0754 12.0754 13.5726 13.5726 14.4344 14.4344 15.5387 15.5387 k = 0.4621 0.3543 0.4440 ( 4124 PWs) bands (ev): -13.8158 -13.8158 -12.9568 -12.9568 -11.6594 -11.6594 -10.8902 -10.8902 -10.5122 -10.5122 -10.0504 -10.0504 -9.3510 -9.3510 -9.2654 -9.2654 -6.8266 -6.8266 -6.7663 -6.7663 -6.7259 -6.7259 -3.3094 -3.3094 -1.4283 -1.4283 -0.5314 -0.5314 0.8013 0.8013 1.0271 1.0271 1.6652 1.6652 1.7731 1.7731 3.1629 3.1629 3.2427 3.2427 3.4050 3.4050 4.3743 4.3743 4.4689 4.4689 4.6905 4.6905 4.9392 4.9392 5.7150 5.7150 5.7364 5.7364 5.9720 5.9720 6.0652 6.0652 6.6592 6.6592 10.8356 10.8356 11.5945 11.5945 12.1090 12.1090 13.5671 13.5671 14.4240 14.4240 15.5404 15.5404 k = 0.4545 0.3674 0.4440 ( 4132 PWs) bands (ev): -13.8056 -13.8056 -12.9679 -12.9679 -11.6632 -11.6632 -10.8852 -10.8852 -10.5180 -10.5180 -10.0481 -10.0481 -9.3510 -9.3510 -9.2660 -9.2660 -6.8264 -6.8264 -6.7668 -6.7668 -6.7265 -6.7265 -3.2829 -3.2829 -1.4564 -1.4564 -0.5188 -0.5188 0.7719 0.7719 1.0154 1.0154 1.7090 1.7090 1.7992 1.7992 3.1491 3.1491 3.2327 3.2327 3.3660 3.3660 4.3815 4.3815 4.4890 4.4890 4.6795 4.6795 4.9711 4.9711 5.6999 5.6999 5.7413 5.7413 5.9728 5.9728 6.0670 6.0670 6.6424 6.6424 10.8378 10.8378 11.5667 11.5667 12.1449 12.1449 13.5601 13.5601 14.4124 14.4124 15.5410 15.5410 k = 0.4470 0.3805 0.4440 ( 4144 PWs) bands (ev): -13.7935 -13.7935 -12.9810 -12.9810 -11.6676 -11.6676 -10.8794 -10.8794 -10.5247 -10.5247 -10.0457 -10.0457 -9.3510 -9.3510 -9.2668 -9.2668 -6.8262 -6.8262 -6.7675 -6.7675 -6.7272 -6.7272 -3.2520 -3.2520 -1.4890 -1.4890 -0.5045 -0.5045 0.7417 0.7417 1.0021 1.0021 1.7563 1.7563 1.8288 1.8288 3.1339 3.1339 3.2207 3.2207 3.3228 3.3228 4.3877 4.3877 4.5121 4.5121 4.6696 4.6696 5.0047 5.0047 5.6832 5.6832 5.7471 5.7471 5.9737 5.9737 6.0680 6.0680 6.6233 6.6233 10.8400 10.8400 11.5390 11.5390 12.1823 12.1823 13.5518 13.5518 14.4003 14.4003 15.5401 15.5401 k = 0.4394 0.3936 0.4440 ( 4152 PWs) bands (ev): -13.7795 -13.7795 -12.9961 -12.9961 -11.6724 -11.6724 -10.8727 -10.8727 -10.5321 -10.5321 -10.0431 -10.0431 -9.3510 -9.3510 -9.2676 -9.2676 -6.8259 -6.8259 -6.7682 -6.7682 -6.7279 -6.7279 -3.2165 -3.2165 -1.5259 -1.5259 -0.4886 -0.4886 0.7118 0.7118 0.9873 0.9873 1.8062 1.8062 1.8616 1.8616 3.1177 3.1177 3.2068 3.2068 3.2761 3.2761 4.3932 4.3932 4.5371 4.5371 4.6608 4.6608 5.0398 5.0398 5.6655 5.6655 5.7538 5.7538 5.9745 5.9745 6.0680 6.0680 6.6020 6.6020 10.8423 10.8423 11.5121 11.5121 12.2204 12.2204 13.5421 13.5421 14.3882 14.3882 15.5372 15.5372 k = 0.4318 0.4068 0.4440 ( 4156 PWs) bands (ev): -13.7638 -13.7638 -13.0132 -13.0132 -11.6774 -11.6774 -10.8652 -10.8652 -10.5402 -10.5402 -10.0406 -10.0406 -9.3510 -9.3510 -9.2685 -9.2685 -6.8257 -6.8257 -6.7690 -6.7690 -6.7287 -6.7287 -3.1769 -3.1769 -1.5670 -1.5670 -0.4715 -0.4715 0.6828 0.6828 0.9713 0.9713 1.8574 1.8574 1.8976 1.8976 3.1008 3.1008 3.1908 3.1908 3.2268 3.2268 4.3982 4.3982 4.5628 4.5628 4.6533 4.6533 5.0760 5.0760 5.6470 5.6470 5.7614 5.7614 5.9753 5.9753 6.0667 6.0667 6.5790 6.5790 10.8444 10.8444 11.4864 11.4864 12.2589 12.2589 13.5309 13.5309 14.3766 14.3766 15.5314 15.5314 k = 0.4242 0.4199 0.4440 ( 4144 PWs) bands (ev): -13.7461 -13.7461 -13.0323 -13.0323 -11.6825 -11.6825 -10.8569 -10.8569 -10.5490 -10.5490 -10.0381 -10.0381 -9.3511 -9.3511 -9.2695 -9.2695 -6.8254 -6.8254 -6.7699 -6.7699 -6.7294 -6.7294 -3.1331 -3.1331 -1.6119 -1.6119 -0.4534 -0.4534 0.6557 0.6557 0.9541 0.9541 1.9082 1.9082 1.9376 1.9376 3.0835 3.0835 3.1681 3.1681 3.1804 3.1804 4.4030 4.4030 4.5877 4.5877 4.6478 4.6478 5.1128 5.1128 5.6282 5.6282 5.7697 5.7697 5.9759 5.9759 6.0640 6.0640 6.5546 6.5546 10.8463 10.8463 11.4623 11.4623 12.2971 12.2971 13.5184 13.5184 14.3658 14.3658 15.5210 15.5213 k = 0.4167 0.4330 0.4440 ( 4140 PWs) bands (ev): -13.7267 -13.7267 -13.0534 -13.0534 -11.6878 -11.6878 -10.8477 -10.8477 -10.5583 -10.5583 -10.0358 -10.0358 -9.3511 -9.3511 -9.2704 -9.2704 -6.8252 -6.8252 -6.7708 -6.7708 -6.7301 -6.7301 -3.0855 -3.0855 -1.6604 -1.6604 -0.4348 -0.4348 0.6311 0.6311 0.9358 0.9358 1.9557 1.9557 1.9835 1.9835 3.0655 3.0655 3.1192 3.1192 3.1574 3.1574 4.4076 4.4076 4.6082 4.6082 4.6468 4.6468 5.1498 5.1498 5.6093 5.6093 5.7789 5.7789 5.9763 5.9763 6.0599 6.0599 6.5293 6.5293 10.8479 10.8479 11.4401 11.4401 12.3348 12.3348 13.5048 13.5048 14.3562 14.3562 15.5027 15.5027 k = 0.4091 0.4461 0.4440 ( 4136 PWs) bands (ev): -13.7055 -13.7055 -13.0764 -13.0764 -11.6930 -11.6930 -10.8377 -10.8377 -10.5683 -10.5683 -10.0337 -10.0337 -9.3512 -9.3512 -9.2714 -9.2714 -6.8249 -6.8249 -6.7718 -6.7718 -6.7307 -6.7307 -3.0341 -3.0341 -1.7123 -1.7123 -0.4162 -0.4162 0.6096 0.6096 0.9164 0.9164 1.9994 1.9994 2.0351 2.0351 3.0444 3.0444 3.0681 3.0681 3.1374 3.1374 4.4122 4.4122 4.6168 4.6168 4.6575 4.6575 5.1866 5.1866 5.5906 5.5906 5.7890 5.7890 5.9764 5.9764 6.0541 6.0541 6.5034 6.5034 10.8490 10.8490 11.4200 11.4200 12.3715 12.3715 13.4901 13.4901 14.3478 14.3478 15.4789 15.4789 k = 0.4015 0.4593 0.4440 ( 4140 PWs) bands (ev): -13.6825 -13.6825 -13.1013 -13.1013 -11.6980 -11.6980 -10.8270 -10.8270 -10.5788 -10.5788 -10.0318 -10.0318 -9.3512 -9.3512 -9.2724 -9.2724 -6.8246 -6.8246 -6.7727 -6.7727 -6.7313 -6.7313 -2.9792 -2.9792 -1.7672 -1.7672 -0.3979 -0.3979 0.5918 0.5918 0.8960 0.8960 2.0413 2.0413 2.0892 2.0892 3.0011 3.0011 3.0381 3.0381 3.1171 3.1171 4.4167 4.4167 4.6155 4.6155 4.6772 4.6772 5.2228 5.2228 5.5724 5.5724 5.8000 5.8000 5.9761 5.9761 6.0469 6.0469 6.4775 6.4775 10.8497 10.8497 11.4021 11.4021 12.4069 12.4069 13.4749 13.4749 14.3408 14.3408 15.4555 15.4555 k = 0.3939 0.4724 0.4440 ( 4146 PWs) bands (ev): -13.6578 -13.6578 -13.1281 -13.1281 -11.7027 -11.7027 -10.8156 -10.8156 -10.5899 -10.5899 -10.0302 -10.0302 -9.3513 -9.3513 -9.2733 -9.2733 -6.8244 -6.8244 -6.7737 -6.7737 -6.7318 -6.7318 -2.9211 -2.9211 -1.8251 -1.8251 -0.3805 -0.3805 0.5782 0.5782 0.8744 0.8744 2.0828 2.0828 2.1442 2.1442 2.9450 2.9450 3.0205 3.0205 3.0966 3.0966 4.4211 4.4211 4.6112 4.6112 4.6984 4.6984 5.2578 5.2578 5.5548 5.5548 5.8119 5.8119 5.9752 5.9752 6.0382 6.0382 6.4521 6.4521 10.8499 10.8499 11.3864 11.3864 12.4405 12.4405 13.4593 13.4593 14.3352 14.3352 15.4343 15.4343 k = 0.3864 0.4855 0.4440 ( 4156 PWs) bands (ev): -13.6313 -13.6313 -13.1567 -13.1567 -11.7071 -11.7071 -10.8034 -10.8034 -10.6015 -10.6015 -10.0288 -10.0288 -9.3515 -9.3515 -9.2742 -9.2742 -6.8242 -6.8242 -6.7747 -6.7747 -6.7323 -6.7323 -2.8599 -2.8599 -1.8857 -1.8857 -0.3645 -0.3645 0.5694 0.5694 0.8518 0.8518 2.1239 2.1239 2.1988 2.1988 2.8868 2.8868 3.0050 3.0050 3.0764 3.0764 4.4255 4.4255 4.6061 4.6061 4.7186 4.7186 5.2912 5.2912 5.5380 5.5380 5.8249 5.8249 5.9737 5.9737 6.0283 6.0283 6.4277 6.4277 10.8497 10.8497 11.3731 11.3731 12.4719 12.4719 13.4439 13.4439 14.3310 14.3310 15.4161 15.4161 k = 0.3788 0.4986 0.4440 ( 4156 PWs) bands (ev): -13.6031 -13.6031 -13.1869 -13.1869 -11.7111 -11.7111 -10.7905 -10.7905 -10.6137 -10.6137 -10.0276 -10.0276 -9.3516 -9.3516 -9.2750 -9.2750 -6.8240 -6.8240 -6.7755 -6.7755 -6.7327 -6.7327 -2.7960 -2.7960 -1.9487 -1.9487 -0.3502 -0.3502 0.5657 0.5657 0.8280 0.8280 2.1645 2.1645 2.2525 2.2525 2.8280 2.8280 2.9902 2.9902 3.0573 3.0573 4.4296 4.4296 4.6009 4.6009 4.7369 4.7369 5.3224 5.3224 5.5221 5.5221 5.8391 5.8391 5.9716 5.9716 6.0173 6.0173 6.4049 6.4049 10.8491 10.8491 11.3620 11.3620 12.5005 12.5005 13.4292 13.4292 14.3279 14.3279 15.4012 15.4012 k = 0.3712 0.5117 0.4440 ( 4152 PWs) bands (ev): -13.5731 -13.5731 -13.2188 -13.2188 -11.7146 -11.7146 -10.7770 -10.7770 -10.6266 -10.6266 -10.0267 -10.0267 -9.3517 -9.3517 -9.2758 -9.2758 -6.8238 -6.8238 -6.7763 -6.7763 -6.7330 -6.7330 -2.7295 -2.7295 -2.0141 -2.0141 -0.3380 -0.3380 0.5674 0.5674 0.8032 0.8032 2.2043 2.2043 2.3046 2.3046 2.7691 2.7691 2.9761 2.9761 3.0400 3.0400 4.4335 4.4335 4.5958 4.5958 4.7530 4.7530 5.3510 5.3510 5.5073 5.5073 5.8544 5.8544 5.9686 5.9686 6.0056 6.0056 6.3842 6.3842 10.8482 10.8482 11.3531 11.3531 12.5259 12.5259 13.4156 13.4156 14.3258 14.3258 15.3898 15.3898 k = 0.3636 0.5249 0.4440 ( 4148 PWs) bands (ev): -13.5415 -13.5415 -13.2522 -13.2522 -11.7175 -11.7175 -10.7628 -10.7628 -10.6400 -10.6400 -10.0260 -10.0260 -9.3518 -9.3518 -9.2764 -9.2764 -6.8237 -6.8237 -6.7770 -6.7770 -6.7333 -6.7333 -2.6608 -2.6608 -2.0815 -2.0815 -0.3282 -0.3282 0.5747 0.5747 0.7773 0.7773 2.2428 2.2428 2.3544 2.3544 2.7106 2.7106 2.9623 2.9623 3.0255 3.0255 4.4369 4.4369 4.5909 4.5909 4.7664 4.7664 5.3767 5.3767 5.4934 5.4934 5.8707 5.8707 5.9647 5.9647 5.9935 5.9935 6.3662 6.3662 10.8472 10.8472 11.3461 11.3461 12.5476 12.5476 13.4038 13.4038 14.3246 14.3246 15.3817 15.3817 k = 0.3561 0.5380 0.4440 ( 4140 PWs) bands (ev): -13.5083 -13.5083 -13.2870 -13.2870 -11.7198 -11.7198 -10.7481 -10.7481 -10.6542 -10.6542 -10.0254 -10.0254 -9.3520 -9.3520 -9.2769 -9.2769 -6.8236 -6.8236 -6.7776 -6.7776 -6.7335 -6.7335 -2.5902 -2.5902 -2.1509 -2.1509 -0.3208 -0.3208 0.5875 0.5875 0.7504 0.7504 2.2791 2.2791 2.4010 2.4010 2.6532 2.6532 2.9493 2.9493 3.0143 3.0143 4.4399 4.4399 4.5866 4.5866 4.7770 4.7770 5.3989 5.3989 5.4806 5.4806 5.8880 5.8880 5.9599 5.9599 5.9813 5.9813 6.3514 6.3514 10.8462 10.8462 11.3411 11.3411 12.5650 12.5650 13.3941 13.3941 14.3240 14.3240 15.3769 15.3770 k = 0.3485 0.5511 0.4440 ( 4132 PWs) bands (ev): -13.4734 -13.4734 -13.3231 -13.3231 -11.7215 -11.7215 -10.7327 -10.7327 -10.6689 -10.6689 -10.0251 -10.0251 -9.3521 -9.3521 -9.2773 -9.2773 -6.8235 -6.8235 -6.7780 -6.7780 -6.7336 -6.7336 -2.5179 -2.5179 -2.2221 -2.2221 -0.3158 -0.3158 0.6056 0.6056 0.7228 0.7228 2.3118 2.3118 2.4433 2.4433 2.5982 2.5982 2.9380 2.9380 3.0066 3.0066 4.4421 4.4421 4.5832 4.5832 4.7847 4.7847 5.4174 5.4174 5.4688 5.4688 5.9059 5.9059 5.9541 5.9541 5.9695 5.9695 6.3403 6.3403 10.8452 10.8452 11.3377 11.3377 12.5777 12.5777 13.3870 13.3870 14.3238 14.3238 15.3751 15.3751 k = 0.3409 0.5642 0.4440 ( 4140 PWs) bands (ev): -13.4370 -13.4370 -13.3603 -13.3603 -11.7225 -11.7225 -10.7169 -10.7169 -10.6844 -10.6844 -10.0249 -10.0249 -9.3521 -9.3521 -9.2775 -9.2775 -6.8235 -6.8235 -6.7782 -6.7782 -6.7337 -6.7337 -2.4443 -2.4443 -2.2948 -2.2948 -0.3130 -0.3130 0.6276 0.6276 0.6952 0.6952 2.3377 2.3377 2.4798 2.4798 2.5490 2.5490 2.9299 2.9299 3.0023 3.0023 4.4434 4.4434 4.5808 4.5808 4.7893 4.7893 5.4318 5.4318 5.4585 5.4585 5.9234 5.9234 5.9479 5.9479 5.9585 5.9585 6.3334 6.3334 10.8446 10.8446 11.3358 11.3358 12.5854 12.5854 13.3827 13.3827 14.3238 14.3238 15.3755 15.3755 k = 0.3333 0.5774 0.4440 ( 4140 PWs) bands (ev): -13.4022 -13.4022 -13.3954 -13.3954 -11.7229 -11.7229 -10.7007 -10.7007 -10.7006 -10.7006 -10.0248 -10.0248 -9.3522 -9.3522 -9.2776 -9.2776 -6.8235 -6.8235 -6.7783 -6.7783 -6.7337 -6.7337 -2.3745 -2.3745 -2.3643 -2.3643 -0.3122 -0.3122 0.6443 0.6443 0.6768 0.6768 2.3491 2.3491 2.5028 2.5028 2.5193 2.5193 2.9268 2.9268 3.0010 3.0010 4.4439 4.4439 4.5800 4.5800 4.7909 4.7909 5.4387 5.4387 5.4529 5.4529 5.9341 5.9341 5.9452 5.9452 5.9506 5.9506 6.3310 6.3310 10.8444 10.8444 11.3352 11.3352 12.5880 12.5880 13.3813 13.3813 14.3238 14.3238 15.3763 15.3763 k = 0.3333 0.5774 0.4440 ( 4140 PWs) bands (ev): -13.4022 -13.4022 -13.3954 -13.3954 -11.7229 -11.7229 -10.7007 -10.7007 -10.7006 -10.7006 -10.0248 -10.0248 -9.3522 -9.3522 -9.2776 -9.2776 -6.8235 -6.8235 -6.7783 -6.7783 -6.7337 -6.7337 -2.3745 -2.3745 -2.3643 -2.3643 -0.3122 -0.3122 0.6443 0.6443 0.6768 0.6768 2.3491 2.3491 2.5028 2.5028 2.5193 2.5193 2.9268 2.9268 3.0010 3.0010 4.4439 4.4439 4.5800 4.5800 4.7909 4.7909 5.4387 5.4387 5.4529 5.4529 5.9341 5.9341 5.9452 5.9452 5.9506 5.9506 6.3310 6.3310 10.8444 10.8444 11.3352 11.3352 12.5880 12.5880 13.3813 13.3813 14.3238 14.3238 15.3763 15.3763 k = 0.3258 0.5642 0.4440 ( 4140 PWs) bands (ev): -13.4382 -13.4382 -13.3591 -13.3591 -11.7225 -11.7225 -10.7175 -10.7175 -10.6839 -10.6839 -10.0249 -10.0249 -9.3521 -9.3521 -9.2775 -9.2775 -6.8235 -6.8235 -6.7782 -6.7782 -6.7337 -6.7337 -2.4454 -2.4454 -2.2938 -2.2938 -0.3129 -0.3129 0.6252 0.6252 0.6975 0.6975 2.3348 2.3348 2.4961 2.4961 2.5352 2.5352 2.9304 2.9304 3.0022 3.0022 4.4435 4.4435 4.5809 4.5809 4.7893 4.7893 5.4334 5.4334 5.4569 5.4569 5.9283 5.9283 5.9390 5.9390 5.9624 5.9624 6.3334 6.3334 10.8446 10.8446 11.3357 11.3357 12.5854 12.5854 13.3826 13.3826 14.3237 14.3237 15.3752 15.3752 k = 0.3182 0.5511 0.4440 ( 4144 PWs) bands (ev): -13.4782 -13.4782 -13.3181 -13.3181 -11.7215 -11.7215 -10.7351 -10.7351 -10.6667 -10.6667 -10.0251 -10.0251 -9.3520 -9.3520 -9.2773 -9.2773 -6.8235 -6.8235 -6.7780 -6.7780 -6.7336 -6.7336 -2.5225 -2.5225 -2.2180 -2.2180 -0.3148 -0.3148 0.5947 0.5947 0.7324 0.7324 2.2968 2.2968 2.5040 2.5040 2.5494 2.5494 2.9412 2.9412 3.0059 3.0059 4.4425 4.4425 4.5837 4.5837 4.7848 4.7848 5.4250 5.4250 5.4618 5.4618 5.9190 5.9190 5.9323 5.9323 5.9777 5.9777 6.3408 6.3408 10.8455 10.8455 11.3372 11.3372 12.5780 12.5780 13.3863 13.3863 14.3234 14.3234 15.3730 15.3730 k = 0.3106 0.5380 0.4440 ( 4146 PWs) bands (ev): -13.5189 -13.5189 -13.2756 -13.2756 -11.7198 -11.7198 -10.7533 -10.7533 -10.6492 -10.6492 -10.0254 -10.0254 -9.3518 -9.3518 -9.2768 -9.2768 -6.8235 -6.8235 -6.7776 -6.7776 -6.7335 -6.7335 -2.6009 -2.6009 -2.1420 -2.1420 -0.3176 -0.3176 0.5622 0.5622 0.7718 0.7718 2.2475 2.2475 2.5179 2.5179 2.5585 2.5585 2.9585 2.9585 3.0124 3.0124 4.4413 4.4413 4.5882 4.5882 4.7775 4.7775 5.4166 5.4166 5.4647 5.4647 5.9085 5.9085 5.9274 5.9274 5.9915 5.9915 6.3530 6.3530 10.8470 10.8470 11.3394 11.3394 12.5662 12.5662 13.3919 13.3919 14.3227 14.3227 15.3713 15.3714 k = 0.3030 0.5249 0.4440 ( 4146 PWs) bands (ev): -13.5601 -13.5601 -13.2317 -13.2317 -11.7174 -11.7174 -10.7722 -10.7722 -10.6315 -10.6315 -10.0258 -10.0258 -9.3515 -9.3515 -9.2762 -9.2762 -6.8235 -6.8235 -6.7770 -6.7770 -6.7333 -6.7333 -2.6804 -2.6804 -2.0661 -2.0661 -0.3208 -0.3208 0.5286 0.5286 0.8142 0.8142 2.1938 2.1938 2.5265 2.5265 2.5680 2.5680 2.9782 2.9782 3.0242 3.0242 4.4406 4.4406 4.5944 4.5944 4.7678 4.7678 5.4089 5.4089 5.4655 5.4655 5.8971 5.8971 5.9246 5.9246 6.0034 6.0034 6.3698 6.3698 10.8493 10.8493 11.3422 11.3422 12.5503 12.5503 13.3989 13.3989 14.3215 14.3215 15.3710 15.3710 k = 0.2955 0.5117 0.4440 ( 4150 PWs) bands (ev): -13.6018 -13.6018 -13.1864 -13.1864 -11.7144 -11.7144 -10.7917 -10.7917 -10.6134 -10.6134 -10.0264 -10.0264 -9.3510 -9.3510 -9.2754 -9.2754 -6.8234 -6.8234 -6.7762 -6.7762 -6.7331 -6.7331 -2.7609 -2.7609 -1.9907 -1.9907 -0.3241 -0.3241 0.4942 0.4942 0.8588 0.8588 2.1384 2.1384 2.5246 2.5246 2.5820 2.5820 2.9932 2.9932 3.0464 3.0464 4.4409 4.4409 4.6017 4.6017 4.7561 4.7561 5.4021 5.4021 5.4643 5.4643 5.8850 5.8850 5.9238 5.9238 6.0132 6.0132 6.3905 6.3905 10.8522 10.8522 11.3455 11.3455 12.5310 12.5310 13.4065 13.4065 14.3199 14.3199 15.3722 15.3722 k = 0.2879 0.4986 0.4440 ( 4142 PWs) bands (ev): -13.6437 -13.6437 -13.1397 -13.1397 -11.7108 -11.7108 -10.8118 -10.8118 -10.5952 -10.5952 -10.0272 -10.0272 -9.3504 -9.3504 -9.2744 -9.2744 -6.8233 -6.8233 -6.7754 -6.7754 -6.7328 -6.7328 -2.8424 -2.8424 -1.9161 -1.9161 -0.3272 -0.3272 0.4593 0.4593 0.9051 0.9051 2.0826 2.0826 2.5155 2.5155 2.5975 2.5975 3.0011 3.0011 3.0797 3.0797 4.4429 4.4429 4.6094 4.6094 4.7435 4.7435 5.3963 5.3963 5.4613 5.4613 5.8723 5.8723 5.9249 5.9249 6.0210 6.0210 6.4147 6.4147 10.8559 10.8559 11.3490 11.3490 12.5088 12.5088 13.4142 13.4142 14.3178 14.3178 15.3747 15.3747 k = 0.2803 0.4855 0.4440 ( 4142 PWs) bands (ev): -13.6858 -13.6858 -13.0919 -13.0919 -11.7065 -11.7065 -10.8324 -10.8324 -10.5768 -10.5768 -10.0281 -10.0281 -9.3495 -9.3495 -9.2732 -9.2732 -6.8231 -6.8231 -6.7743 -6.7743 -6.7325 -6.7325 -2.9247 -2.9247 -1.8424 -1.8424 -0.3300 -0.3300 0.4241 0.4241 0.9523 0.9523 2.0267 2.0267 2.5029 2.5029 2.6116 2.6116 3.0044 3.0044 3.1204 3.1204 4.4473 4.4473 4.6160 4.6160 4.7317 4.7317 5.3917 5.3917 5.4566 5.4566 5.8591 5.8591 5.9278 5.9278 6.0270 6.0270 6.4416 6.4416 10.8601 10.8601 11.3525 11.3525 12.4842 12.4842 13.4216 13.4216 14.3152 14.3152 15.3784 15.3784 k = 0.2727 0.4724 0.4440 ( 4136 PWs) bands (ev): -13.7280 -13.7280 -13.0428 -13.0428 -11.7017 -11.7017 -10.8535 -10.8535 -10.5583 -10.5583 -10.0293 -10.0293 -9.3485 -9.3485 -9.2718 -9.2718 -6.8229 -6.8229 -6.7732 -6.7732 -6.7322 -6.7322 -3.0078 -3.0078 -1.7700 -1.7700 -0.3321 -0.3321 0.3887 0.3887 1.0000 1.0000 1.9713 1.9713 2.4885 2.4885 2.6229 2.6229 3.0046 3.0046 3.1660 3.1660 4.4545 4.4545 4.6193 4.6193 4.7233 4.7233 5.3884 5.3884 5.4503 5.4503 5.8457 5.8457 5.9321 5.9321 6.0315 6.0315 6.4706 6.4706 10.8649 10.8649 11.3560 11.3560 12.4579 12.4579 13.4281 13.4281 14.3121 14.3121 15.3830 15.3830 k = 0.2652 0.4593 0.4440 ( 4140 PWs) bands (ev): -13.7701 -13.7701 -12.9925 -12.9925 -11.6963 -11.6963 -10.8750 -10.8750 -10.5397 -10.5397 -10.0307 -10.0307 -9.3473 -9.3473 -9.2703 -9.2703 -6.8225 -6.8225 -6.7719 -6.7719 -6.7317 -6.7317 -3.0916 -3.0916 -1.6991 -1.6991 -0.3334 -0.3334 0.3532 0.3532 1.0475 1.0475 1.9164 1.9164 2.4734 2.4734 2.6306 2.6306 3.0021 3.0021 3.2155 3.2155 4.4648 4.4648 4.6165 4.6165 4.7218 4.7218 5.3865 5.3865 5.4424 5.4424 5.8321 5.8321 5.9378 5.9378 6.0347 6.0347 6.5011 6.5011 10.8701 10.8701 11.3591 11.3591 12.4302 12.4302 13.4334 13.4334 14.3085 14.3085 15.3879 15.3879 k = 0.2576 0.4461 0.4440 ( 4140 PWs) bands (ev): -13.8120 -13.8120 -12.9412 -12.9412 -11.6905 -11.6905 -10.8969 -10.8969 -10.5212 -10.5212 -10.0324 -10.0324 -9.3458 -9.3458 -9.2685 -9.2685 -6.8221 -6.8221 -6.7706 -6.7706 -6.7313 -6.7313 -3.1760 -3.1760 -1.6299 -1.6299 -0.3338 -0.3338 0.3180 0.3180 1.0942 1.0942 1.8622 1.8622 2.4582 2.4582 2.6341 2.6341 2.9976 2.9976 3.2684 3.2684 4.4784 4.4784 4.6067 4.6067 4.7283 4.7283 5.3859 5.3859 5.4330 5.4330 5.8184 5.8184 5.9444 5.9444 6.0368 6.0368 6.5326 6.5326 10.8756 10.8756 11.3617 11.3617 12.4016 12.4016 13.4373 13.4373 14.3045 14.3045 15.3929 15.3929 k = 0.2500 0.4330 0.4440 ( 4136 PWs) bands (ev): -13.8537 -13.8537 -12.8889 -12.8889 -11.6841 -11.6841 -10.9190 -10.9190 -10.5027 -10.5027 -10.0344 -10.0344 -9.3441 -9.3441 -9.2666 -9.2666 -6.8217 -6.8217 -6.7691 -6.7691 -6.7307 -6.7307 -3.2610 -3.2610 -1.5626 -1.5626 -0.3332 -0.3332 0.2830 0.2830 1.1394 1.1394 1.8088 1.8088 2.4431 2.4431 2.6332 2.6332 2.9917 2.9917 3.3247 3.3247 4.4951 4.4951 4.5924 4.5924 4.7415 4.7415 5.3865 5.3865 5.4220 5.4220 5.8047 5.8047 5.9519 5.9519 6.0380 6.0380 6.5648 6.5648 10.8811 10.8811 11.3635 11.3635 12.3728 12.3728 13.4396 13.4396 14.3001 14.3001 15.3974 15.3974 k = 0.2424 0.4199 0.4440 ( 4138 PWs) bands (ev): -13.8949 -13.8949 -12.8356 -12.8356 -11.6773 -11.6773 -10.9413 -10.9413 -10.4843 -10.4843 -10.0367 -10.0367 -9.3421 -9.3421 -9.2644 -9.2644 -6.8211 -6.8211 -6.7675 -6.7675 -6.7302 -6.7302 -3.3463 -3.3463 -1.4972 -1.4972 -0.3313 -0.3313 0.2486 0.2486 1.1826 1.1826 1.7563 1.7563 2.4280 2.4280 2.6276 2.6276 2.9854 2.9854 3.3840 3.3840 4.5139 4.5139 4.5770 4.5770 4.7592 4.7592 5.3875 5.3875 5.4101 5.4101 5.7912 5.7912 5.9599 5.9599 6.0384 6.0384 6.5971 6.5971 10.8864 10.8864 11.3645 11.3645 12.3440 12.3440 13.4402 13.4402 14.2953 14.2953 15.4010 15.4010 k = 0.2348 0.4068 0.4440 ( 4130 PWs) bands (ev): -13.9357 -13.9357 -12.7814 -12.7814 -11.6700 -11.6700 -10.9637 -10.9637 -10.4661 -10.4661 -10.0394 -10.0394 -9.3399 -9.3399 -9.2621 -9.2621 -6.8204 -6.8204 -6.7659 -6.7659 -6.7295 -6.7295 -3.4319 -3.4319 -1.4340 -1.4340 -0.3282 -0.3282 0.2149 0.2149 1.2230 1.2230 1.7049 1.7049 2.4123 2.4123 2.6170 2.6170 2.9800 2.9800 3.4463 3.4463 4.5297 4.5297 4.5673 4.5673 4.7802 4.7802 5.3852 5.3852 5.4008 5.4008 5.7780 5.7780 5.9683 5.9683 6.0383 6.0383 6.6295 6.6295 10.8912 10.8912 11.3643 11.3643 12.3159 12.3159 13.4391 13.4391 14.2903 14.2903 15.4032 15.4032 k = 0.2273 0.3936 0.4440 ( 4122 PWs) bands (ev): -13.9760 -13.9760 -12.7265 -12.7265 -11.6624 -11.6624 -10.9862 -10.9862 -10.4481 -10.4481 -10.0425 -10.0425 -9.3375 -9.3375 -9.2597 -9.2597 -6.8197 -6.8197 -6.7641 -6.7641 -6.7288 -6.7288 -3.5178 -3.5178 -1.3730 -1.3730 -0.3239 -0.3239 0.1820 0.1820 1.2601 1.2601 1.6545 1.6545 2.3955 2.3955 2.6012 2.6012 2.9774 2.9774 3.5115 3.5115 4.5274 4.5274 4.5792 4.5792 4.8035 4.8035 5.3726 5.3726 5.4012 5.4012 5.7651 5.7651 5.9768 5.9768 6.0376 6.0376 6.6616 6.6616 10.8951 10.8951 11.3628 11.3628 12.2889 12.2889 13.4364 13.4364 14.2851 14.2851 15.4036 15.4036 k = 0.2197 0.3805 0.4440 ( 4124 PWs) bands (ev): -14.0156 -14.0156 -12.6709 -12.6709 -11.6545 -11.6545 -11.0088 -11.0088 -10.4304 -10.4304 -10.0459 -10.0459 -9.3347 -9.3347 -9.2570 -9.2570 -6.8189 -6.8189 -6.7623 -6.7623 -6.7281 -6.7281 -3.6037 -3.6037 -1.3143 -1.3143 -0.3181 -0.3181 0.1501 0.1501 1.2933 1.2933 1.6053 1.6053 2.3764 2.3764 2.5803 2.5803 2.9792 2.9792 3.5794 3.5794 4.5148 4.5148 4.6055 4.6055 4.8287 4.8287 5.3547 5.3547 5.4058 5.4058 5.7526 5.7526 5.9853 5.9853 6.0365 6.0365 6.6933 6.6933 10.8975 10.8975 11.3599 11.3599 12.2634 12.2634 13.4321 13.4321 14.2798 14.2798 15.4016 15.4016 k = 0.2121 0.3674 0.4440 ( 4124 PWs) bands (ev): -14.0545 -14.0545 -12.6147 -12.6147 -11.6462 -11.6462 -11.0312 -11.0312 -10.4131 -10.4131 -10.0497 -10.0497 -9.3318 -9.3318 -9.2542 -9.2542 -6.8180 -6.8180 -6.7604 -6.7604 -6.7272 -6.7272 -3.6896 -3.6896 -1.2579 -1.2579 -0.3109 -0.3109 0.1195 0.1195 1.3223 1.3223 1.5573 1.5573 2.3539 2.3539 2.5543 2.5543 2.9875 2.9875 3.6497 3.6497 4.5018 4.5018 4.6363 4.6363 4.8555 4.8555 5.3345 5.3345 5.4119 5.4119 5.7403 5.7403 5.9936 5.9936 6.0351 6.0351 6.7243 6.7243 10.8980 10.8980 11.3559 11.3559 12.2400 12.2400 13.4263 13.4263 14.2747 14.2747 15.3971 15.3971 k = 0.2045 0.3543 0.4440 ( 4136 PWs) bands (ev): -14.0926 -14.0926 -12.5580 -12.5580 -11.6376 -11.6376 -11.0534 -11.0534 -10.3961 -10.3961 -10.0540 -10.0540 -9.3286 -9.3286 -9.2512 -9.2512 -6.8171 -6.8171 -6.7585 -6.7585 -6.7264 -6.7264 -3.7753 -3.7753 -1.2039 -1.2039 -0.3023 -0.3023 0.0901 0.0901 1.3467 1.3467 1.5107 1.5107 2.3270 2.3270 2.5234 2.5234 3.0036 3.0036 3.7223 3.7223 4.4904 4.4904 4.6694 4.6694 4.8836 4.8836 5.3126 5.3126 5.4189 5.4189 5.7283 5.7283 6.0016 6.0016 6.0334 6.0334 6.7546 6.7546 10.8957 10.8957 11.3508 11.3508 12.2189 12.2189 13.4190 13.4190 14.2699 14.2699 15.3897 15.3897 k = 0.1970 0.3412 0.4440 ( 4128 PWs) bands (ev): -14.1298 -14.1298 -12.5009 -12.5009 -11.6288 -11.6288 -11.0755 -11.0755 -10.3796 -10.3796 -10.0586 -10.0586 -9.3253 -9.3253 -9.2481 -9.2481 -6.8162 -6.8162 -6.7564 -6.7564 -6.7254 -6.7254 -3.8606 -3.8606 -1.1521 -1.1521 -0.2922 -0.2922 0.0623 0.0623 1.3664 1.3664 1.4656 1.4656 2.2952 2.2952 2.4878 2.4878 3.0285 3.0285 3.7970 3.7970 4.4812 4.4812 4.7041 4.7041 4.9128 4.9128 5.2895 5.2895 5.4266 5.4266 5.7164 5.7164 6.0090 6.0090 6.0317 6.0317 6.7841 6.7841 10.8898 10.8898 11.3451 11.3451 12.2005 12.2005 13.4104 13.4104 14.2656 14.2656 15.3792 15.3792 k = 0.1894 0.3280 0.4440 ( 4128 PWs) bands (ev): -14.1661 -14.1661 -12.4436 -12.4436 -11.6198 -11.6198 -11.0973 -11.0973 -10.3636 -10.3636 -10.0635 -10.0635 -9.3217 -9.3217 -9.2448 -9.2448 -6.8152 -6.8152 -6.7543 -6.7543 -6.7244 -6.7244 -3.9455 -3.9455 -1.1027 -1.1027 -0.2805 -0.2805 0.0360 0.0360 1.3803 1.3803 1.4233 1.4233 2.2581 2.2581 2.4479 2.4479 3.0627 3.0627 3.8734 3.8734 4.4745 4.4745 4.7394 4.7394 4.9430 4.9430 5.2657 5.2657 5.4348 5.4348 5.7046 5.7046 6.0154 6.0154 6.0302 6.0302 6.8126 6.8126 10.8795 10.8795 11.3394 11.3394 12.1850 12.1850 13.4005 13.4005 14.2621 14.2621 15.3654 15.3654 k = 0.1818 0.3149 0.4440 ( 4128 PWs) bands (ev): -14.2014 -14.2014 -12.3861 -12.3861 -11.6107 -11.6107 -11.1187 -11.1187 -10.3481 -10.3481 -10.0688 -10.0688 -9.3180 -9.3180 -9.2415 -9.2415 -6.8142 -6.8142 -6.7522 -6.7522 -6.7233 -6.7233 -4.0298 -4.0298 -1.0556 -1.0556 -0.2672 -0.2672 0.0114 0.0114 1.3717 1.3717 1.4008 1.4008 2.2160 2.2160 2.4040 2.4040 3.1058 3.1058 3.9512 3.9512 4.4703 4.4703 4.7749 4.7749 4.9739 4.9739 5.2418 5.2418 5.4434 5.4434 5.6925 5.6925 6.0199 6.0199 6.0300 6.0300 6.8400 6.8400 10.8639 10.8639 11.3345 11.3345 12.1723 12.1723 13.3894 13.3894 14.2597 14.2597 15.3483 15.3483 k = 0.1742 0.3018 0.4440 ( 4128 PWs) bands (ev): -14.2357 -14.2357 -12.3286 -12.3286 -11.6014 -11.6014 -11.1397 -11.1397 -10.3332 -10.3332 -10.0745 -10.0745 -9.3142 -9.3142 -9.2380 -9.2380 -6.8132 -6.8132 -6.7499 -6.7499 -6.7222 -6.7222 -4.1132 -4.1132 -1.0108 -1.0108 -0.2523 -0.2523 -0.0113 -0.0113 1.3339 1.3339 1.4052 1.4052 2.1692 2.1692 2.3566 2.3566 3.1571 3.1571 4.0300 4.0300 4.4686 4.4686 4.8095 4.8095 5.0053 5.0053 5.2189 5.2189 5.4522 5.4522 5.6802 5.6802 6.0209 6.0209 6.0326 6.0326 6.8663 6.8663 10.8422 10.8422 11.3310 11.3310 12.1626 12.1626 13.3772 13.3772 14.2586 14.2586 15.3281 15.3281 k = 0.1667 0.2887 0.4440 ( 4132 PWs) bands (ev): -14.2688 -14.2688 -12.2712 -12.2712 -11.5920 -11.5920 -11.1602 -11.1602 -10.3190 -10.3190 -10.0804 -10.0804 -9.3103 -9.3103 -9.2344 -9.2344 -6.8122 -6.8122 -6.7476 -6.7476 -6.7210 -6.7210 -4.1955 -4.1955 -0.9682 -0.9682 -0.2357 -0.2357 -0.0322 -0.0322 1.2947 1.2947 1.4093 1.4093 2.1184 2.1184 2.3060 2.3060 3.2158 3.2158 4.1093 4.1093 4.4691 4.4691 4.8424 4.8424 5.0370 5.0370 5.1981 5.1981 5.4612 5.4612 5.6675 5.6675 6.0195 6.0195 6.0366 6.0366 6.8914 6.8914 10.8139 10.8139 11.3297 11.3297 12.1554 12.1554 13.3641 13.3641 14.2590 14.2590 15.3048 15.3048 k = 0.1591 0.2756 0.4440 ( 4124 PWs) bands (ev): -14.3008 -14.3008 -12.2142 -12.2142 -11.5826 -11.5826 -11.1803 -11.1803 -10.3054 -10.3054 -10.0866 -10.0866 -9.3063 -9.3063 -9.2307 -9.2307 -6.8112 -6.8112 -6.7453 -6.7453 -6.7198 -6.7198 -4.2767 -4.2767 -0.9278 -0.9278 -0.2175 -0.2175 -0.0510 -0.0510 1.2566 1.2566 1.4109 1.4109 2.0642 2.0642 2.2530 2.2530 3.2808 3.2808 4.1885 4.1885 4.4718 4.4718 4.8722 4.8722 5.0685 5.0685 5.1816 5.1816 5.4703 5.4703 5.6542 5.6542 6.0175 6.0175 6.0406 6.0406 6.9152 6.9152 10.7791 10.7791 11.3307 11.3307 12.1507 12.1507 13.3501 13.3501 14.2612 14.2612 15.2786 15.2786 k = 0.1515 0.2624 0.4440 ( 4128 PWs) bands (ev): -14.3316 -14.3316 -12.1575 -12.1575 -11.5732 -11.5732 -11.1997 -11.1997 -10.2926 -10.2926 -10.0931 -10.0931 -9.3022 -9.3022 -9.2270 -9.2270 -6.8103 -6.8103 -6.7429 -6.7429 -6.7186 -6.7186 -4.3565 -4.3565 -0.8896 -0.8896 -0.1976 -0.1976 -0.0677 -0.0677 1.2198 1.2198 1.4102 1.4102 2.0072 2.0072 2.1977 2.1977 3.3510 3.3510 4.2667 4.2667 4.4764 4.4764 4.8971 4.8971 5.0990 5.0990 5.1722 5.1722 5.4794 5.4794 5.6401 5.6401 6.0153 6.0153 6.0439 6.0439 6.9375 6.9375 10.7379 10.7379 11.3344 11.3344 12.1479 12.1479 13.3355 13.3355 14.2653 14.2653 15.2499 15.2499 k = 0.1439 0.2493 0.4440 ( 4128 PWs) bands (ev): -14.3612 -14.3612 -12.1016 -12.1016 -11.5638 -11.5638 -11.2186 -11.2186 -10.2804 -10.2804 -10.0997 -10.0997 -9.2982 -9.2982 -9.2232 -9.2232 -6.8094 -6.8094 -6.7405 -6.7405 -6.7173 -6.7173 -4.4346 -4.4346 -0.8536 -0.8536 -0.1761 -0.1761 -0.0821 -0.0821 1.1847 1.1847 1.4076 1.4076 1.9480 1.9480 2.1409 2.1409 3.4255 3.4255 4.3427 4.3427 4.4827 4.4827 4.9159 4.9159 5.1269 5.1269 5.1738 5.1738 5.4885 5.4885 5.6253 5.6253 6.0131 6.0131 6.0464 6.0464 6.9585 6.9585 10.6909 10.6909 11.3405 11.3405 12.1466 12.1466 13.3204 13.3204 14.2714 14.2714 15.2190 15.2190 k = 0.1364 0.2362 0.4440 ( 4122 PWs) bands (ev): -14.3894 -14.3894 -12.0464 -12.0464 -11.5545 -11.5545 -11.2367 -11.2367 -10.2691 -10.2691 -10.1064 -10.1064 -9.2941 -9.2941 -9.2194 -9.2194 -6.8086 -6.8086 -6.7381 -6.7381 -6.7160 -6.7160 -4.5108 -4.5108 -0.8198 -0.8198 -0.1536 -0.1536 -0.0935 -0.0935 1.1511 1.1511 1.4034 1.4034 1.8872 1.8872 2.0830 2.0830 3.5032 3.5032 4.4147 4.4147 4.4905 4.4905 4.9286 4.9286 5.1502 5.1502 5.1894 5.1894 5.4974 5.4974 5.6096 5.6096 6.0109 6.0109 6.0481 6.0481 6.9780 6.9780 10.6388 10.6388 11.3489 11.3489 12.1465 12.1465 13.3050 13.3050 14.2795 14.2795 15.1863 15.1863 k = 0.1288 0.2231 0.4440 ( 4122 PWs) bands (ev): -14.4164 -14.4164 -11.9922 -11.9922 -11.5453 -11.5453 -11.2542 -11.2542 -10.2586 -10.2586 -10.1132 -10.1132 -9.2901 -9.2901 -9.2156 -9.2156 -6.8078 -6.8078 -6.7357 -6.7357 -6.7147 -6.7147 -4.5850 -4.5850 -0.7881 -0.7881 -0.1329 -0.1329 -0.0992 -0.0992 1.1191 1.1191 1.3977 1.3977 1.8253 1.8253 2.0245 2.0245 3.5833 3.5833 4.4790 4.4790 4.5007 4.5007 4.9381 4.9381 5.1722 5.1722 5.2150 5.2150 5.5062 5.5062 5.5930 5.5930 6.0087 6.0087 6.0488 6.0488 6.9959 6.9959 10.5823 10.5823 11.3592 11.3592 12.1472 12.1472 13.2897 13.2897 14.2897 14.2897 15.1522 15.1522 k = 0.1212 0.2099 0.4440 ( 4118 PWs) bands (ev): -14.4419 -14.4419 -11.9392 -11.9392 -11.5363 -11.5363 -11.2709 -11.2709 -10.2489 -10.2489 -10.1200 -10.1200 -9.2862 -9.2862 -9.2118 -9.2118 -6.8070 -6.8070 -6.7333 -6.7333 -6.7134 -6.7134 -4.6567 -4.6567 -0.7585 -0.7585 -0.1256 -0.1256 -0.0876 -0.0876 1.0888 1.0888 1.3907 1.3907 1.7628 1.7628 1.9659 1.9659 3.6650 3.6650 4.5071 4.5071 4.5378 4.5378 4.9500 4.9500 5.1968 5.1968 5.2442 5.2442 5.5148 5.5148 5.5755 5.5755 6.0067 6.0067 6.0486 6.0486 7.0123 7.0123 10.5224 10.5224 11.3712 11.3712 12.1481 12.1481 13.2746 13.2746 14.3019 14.3019 15.1169 15.1169 k = 0.1136 0.1968 0.4440 ( 4114 PWs) bands (ev): -14.4661 -14.4661 -11.8877 -11.8877 -11.5275 -11.5275 -11.2868 -11.2868 -10.2400 -10.2400 -10.1268 -10.1268 -9.2824 -9.2824 -9.2081 -9.2081 -6.8063 -6.8063 -6.7309 -6.7309 -6.7120 -6.7120 -4.7259 -4.7259 -0.7310 -0.7310 -0.1288 -0.1288 -0.0615 -0.0615 1.0602 1.0602 1.3824 1.3824 1.7004 1.7004 1.9076 1.9076 3.7474 3.7474 4.5181 4.5181 4.5786 4.5786 4.9707 4.9707 5.2240 5.2240 5.2743 5.2743 5.5232 5.5232 5.5571 5.5571 6.0048 6.0048 6.0475 6.0475 7.0272 7.0272 10.4599 10.4599 11.3845 11.3845 12.1488 12.1488 13.2602 13.2602 14.3160 14.3160 15.0810 15.0810 k = 0.1061 0.1837 0.4440 ( 4120 PWs) bands (ev): -14.4889 -14.4889 -11.8378 -11.8378 -11.5189 -11.5189 -11.3019 -11.3019 -10.2319 -10.2319 -10.1335 -10.1335 -9.2788 -9.2788 -9.2045 -9.2045 -6.8057 -6.8057 -6.7285 -6.7285 -6.7107 -6.7107 -4.7923 -4.7923 -0.7056 -0.7056 -0.1329 -0.1329 -0.0309 -0.0309 1.0333 1.0333 1.3724 1.3724 1.6389 1.6389 1.8501 1.8501 3.8300 3.8300 4.5290 4.5290 4.6033 4.6033 5.0042 5.0042 5.2524 5.2524 5.3041 5.3041 5.5307 5.5307 5.5386 5.5386 6.0029 6.0029 6.0455 6.0455 7.0404 7.0404 10.3957 10.3957 11.3990 11.3990 12.1492 12.1492 13.2466 13.2466 14.3317 14.3317 15.0448 15.0448 k = 0.0985 0.1706 0.4440 ( 4130 PWs) bands (ev): -14.5102 -14.5102 -11.7898 -11.7898 -11.5105 -11.5105 -11.3161 -11.3161 -10.2247 -10.2247 -10.1401 -10.1401 -9.2752 -9.2752 -9.2010 -9.2010 -6.8052 -6.8052 -6.7262 -6.7262 -6.7095 -6.7095 -4.8555 -4.8555 -0.6822 -0.6822 -0.1360 -0.1360 0.0024 0.0024 1.0082 1.0082 1.3600 1.3600 1.5796 1.5796 1.7939 1.7939 3.9120 3.9120 4.5400 4.5400 4.6124 4.6124 5.0505 5.0505 5.2809 5.2809 5.3332 5.3332 5.5174 5.5174 5.5403 5.5403 6.0011 6.0011 6.0426 6.0426 7.0521 7.0521 10.3305 10.3305 11.4143 11.4143 12.1488 12.1488 13.2342 13.2342 14.3488 14.3488 15.0087 15.0087 k = 0.0909 0.1575 0.4440 ( 4130 PWs) bands (ev): -14.5300 -14.5300 -11.7439 -11.7439 -11.5025 -11.5025 -11.3295 -11.3295 -10.2182 -10.2182 -10.1464 -10.1464 -9.2719 -9.2719 -9.1976 -9.1976 -6.8047 -6.8047 -6.7240 -6.7240 -6.7083 -6.7083 -4.9154 -4.9154 -0.6608 -0.6608 -0.1378 -0.1378 0.0378 0.0378 0.9847 0.9847 1.3436 1.3436 1.5243 1.5243 1.7395 1.7395 3.9929 3.9929 4.5510 4.5510 4.6100 4.6100 5.1061 5.1061 5.3082 5.3082 5.3611 5.3611 5.4978 5.4978 5.5484 5.5484 5.9993 5.9993 6.0389 6.0389 7.0624 7.0624 10.2654 10.2654 11.4303 11.4303 12.1474 12.1474 13.2231 13.2231 14.3671 14.3671 14.9730 14.9730 k = 0.0833 0.1443 0.4440 ( 4134 PWs) bands (ev): -14.5483 -14.5483 -11.7004 -11.7004 -11.4948 -11.4948 -11.3420 -11.3420 -10.2126 -10.2126 -10.1525 -10.1525 -9.2688 -9.2688 -9.1943 -9.1943 -6.8042 -6.8042 -6.7219 -6.7219 -6.7071 -6.7071 -4.9717 -4.9717 -0.6414 -0.6414 -0.1382 -0.1382 0.0751 0.0751 0.9630 0.9630 1.3203 1.3203 1.4765 1.4765 1.6872 1.6872 4.0721 4.0721 4.5619 4.5619 4.6003 4.6003 5.1668 5.1668 5.3325 5.3325 5.3874 5.3874 5.4794 5.4794 5.5566 5.5566 5.9975 5.9975 6.0345 6.0345 7.0711 7.0711 10.2010 10.2010 11.4466 11.4466 12.1450 12.1450 13.2135 13.2135 14.3862 14.3862 14.9380 14.9380 k = 0.0758 0.1312 0.4440 ( 4138 PWs) bands (ev): -14.5651 -14.5651 -11.6596 -11.6596 -11.4874 -11.4874 -11.3535 -11.3535 -10.2078 -10.2078 -10.1582 -10.1582 -9.2658 -9.2658 -9.1913 -9.1913 -6.8039 -6.8039 -6.7199 -6.7199 -6.7059 -6.7059 -5.0240 -5.0240 -0.6239 -0.6239 -0.1375 -0.1375 0.1141 0.1141 0.9430 0.9430 1.2869 1.2869 1.4396 1.4396 1.6377 1.6377 4.1490 4.1490 4.5722 4.5722 4.5865 4.5865 5.2290 5.2290 5.3513 5.3513 5.4114 5.4114 5.4650 5.4650 5.5652 5.5652 5.9954 5.9954 6.0294 6.0294 7.0786 7.0786 10.1382 10.1382 11.4631 11.4631 12.1414 12.1414 13.2055 13.2055 14.4059 14.4059 14.9042 14.9042 k = 0.0682 0.1181 0.4440 ( 4142 PWs) bands (ev): -14.5804 -14.5804 -11.6217 -11.6217 -11.4805 -11.4805 -11.3642 -11.3642 -10.2036 -10.2036 -10.1636 -10.1636 -9.2631 -9.2631 -9.1884 -9.1884 -6.8035 -6.8035 -6.7181 -6.7181 -6.7049 -6.7049 -5.0723 -5.0723 -0.6082 -0.6082 -0.1358 -0.1358 0.1545 0.1545 0.9247 0.9247 1.2433 1.2433 1.4142 1.4142 1.5912 1.5912 4.2230 4.2230 4.5702 4.5702 4.5828 4.5828 5.2889 5.2889 5.3610 5.3610 5.4325 5.4325 5.4601 5.4601 5.5741 5.5741 5.9930 5.9930 6.0239 6.0239 7.0848 7.0848 10.0778 10.0778 11.4795 11.4795 12.1367 12.1367 13.1992 13.1992 14.4258 14.4258 14.8717 14.8717 k = 0.0606 0.1050 0.4440 ( 4150 PWs) bands (ev): -14.5940 -14.5940 -11.5871 -11.5871 -11.4738 -11.4738 -11.3739 -11.3739 -10.2002 -10.2002 -10.1685 -10.1685 -9.2607 -9.2607 -9.1858 -9.1858 -6.8032 -6.8032 -6.7164 -6.7164 -6.7039 -6.7039 -5.1162 -5.1162 -0.5943 -0.5943 -0.1333 -0.1333 0.1961 0.1961 0.9080 0.9080 1.1931 1.1931 1.3969 1.3969 1.5485 1.5485 4.2936 4.2936 4.5541 4.5541 4.5919 4.5919 5.3298 5.3298 5.3732 5.3732 5.4504 5.4504 5.4675 5.4675 5.5836 5.5836 5.9900 5.9900 6.0182 6.0182 7.0898 7.0898 10.0208 10.0208 11.4955 11.4955 12.1310 12.1310 13.1944 13.1944 14.4455 14.4455 14.8410 14.8410 k = 0.0530 0.0919 0.4440 ( 4146 PWs) bands (ev): -14.6062 -14.6062 -11.5560 -11.5560 -11.4675 -11.4675 -11.3827 -11.3827 -10.1974 -10.1974 -10.1729 -10.1729 -9.2584 -9.2584 -9.1835 -9.1835 -6.8030 -6.8030 -6.7149 -6.7149 -6.7030 -6.7030 -5.1555 -5.1555 -0.5821 -0.5821 -0.1303 -0.1303 0.2386 0.2386 0.8928 0.8928 1.1401 1.1401 1.3846 1.3846 1.5099 1.5099 4.3601 4.3601 4.5385 4.5385 4.6005 4.6005 5.3240 5.3240 5.4181 5.4181 5.4673 5.4673 5.4810 5.4810 5.5938 5.5938 5.9864 5.9864 6.0125 6.0125 7.0939 7.0939 9.9679 9.9679 11.5109 11.5109 12.1246 12.1246 13.1910 13.1910 14.4647 14.4647 14.8122 14.8122 k = 0.0455 0.0787 0.4440 ( 4150 PWs) bands (ev): -14.6167 -14.6167 -11.5288 -11.5288 -11.4614 -11.4614 -11.3906 -11.3906 -10.1953 -10.1953 -10.1767 -10.1767 -9.2565 -9.2565 -9.1814 -9.1814 -6.8028 -6.8028 -6.7136 -6.7136 -6.7022 -6.7022 -5.1901 -5.1901 -0.5717 -0.5717 -0.1269 -0.1269 0.2815 0.2815 0.8788 0.8788 1.0871 1.0871 1.3748 1.3748 1.4762 1.4762 4.4212 4.4212 4.5246 4.5246 4.6082 4.6082 5.3039 5.3039 5.4644 5.4644 5.4857 5.4857 5.4958 5.4958 5.6047 5.6047 5.9821 5.9821 6.0070 6.0070 7.0971 7.0971 9.9200 9.9200 11.5254 11.5254 12.1178 12.1178 13.1889 13.1889 14.4831 14.4831 14.7857 14.7857 k = 0.0379 0.0656 0.4440 ( 4138 PWs) bands (ev): -14.6256 -14.6256 -11.5059 -11.5059 -11.4554 -11.4554 -11.3975 -11.3975 -10.1938 -10.1938 -10.1798 -10.1798 -9.2549 -9.2549 -9.1796 -9.1796 -6.8026 -6.8026 -6.7125 -6.7125 -6.7014 -6.7014 -5.2196 -5.2196 -0.5629 -0.5629 -0.1235 -0.1235 0.3241 0.3241 0.8656 0.8656 1.0364 1.0364 1.3663 1.3663 1.4479 1.4479 4.4737 4.4737 4.5153 4.5153 4.6149 4.6149 5.2809 5.2809 5.4907 5.4907 5.5025 5.5025 5.5243 5.5243 5.6160 5.6160 5.9771 5.9771 6.0019 6.0019 7.0996 7.0996 9.8779 9.8779 11.5385 11.5385 12.1109 12.1109 13.1877 13.1877 14.5004 14.5004 14.7618 14.7618 k = 0.0303 0.0525 0.4440 ( 4142 PWs) bands (ev): -14.6329 -14.6329 -11.4877 -11.4877 -11.4492 -11.4492 -11.4035 -11.4035 -10.1930 -10.1930 -10.1821 -10.1821 -9.2535 -9.2535 -9.1781 -9.1781 -6.8025 -6.8025 -6.7116 -6.7116 -6.7008 -6.7008 -5.2440 -5.2440 -0.5558 -0.5558 -0.1204 -0.1204 0.3654 0.3654 0.8524 0.8524 0.9905 0.9905 1.3583 1.3583 1.4256 1.4256 4.4922 4.4922 4.5352 4.5352 4.6205 4.6205 5.2579 5.2579 5.5045 5.5045 5.5121 5.5121 5.5614 5.5614 5.6275 5.6275 5.9718 5.9718 5.9973 5.9973 7.1015 7.1015 9.8422 9.8422 11.5500 11.5500 12.1044 12.1044 13.1872 13.1872 14.5159 14.5159 14.7408 14.7408 k = 0.0227 0.0394 0.4440 ( 4144 PWs) bands (ev): -14.6386 -14.6386 -11.4744 -11.4744 -11.4430 -11.4430 -11.4085 -11.4085 -10.1927 -10.1927 -10.1836 -10.1836 -9.2524 -9.2524 -9.1770 -9.1770 -6.8024 -6.8024 -6.7108 -6.7108 -6.7004 -6.7004 -5.2632 -5.2632 -0.5503 -0.5503 -0.1176 -0.1176 0.4035 0.4035 0.8383 0.8383 0.9524 0.9524 1.3506 1.3506 1.4096 1.4096 4.4865 4.4865 4.5734 4.5734 4.6249 4.6249 5.2369 5.2369 5.5140 5.5140 5.5193 5.5193 5.5921 5.5921 5.6390 5.6390 5.9667 5.9667 5.9933 5.9933 7.1029 7.1029 9.8137 9.8137 11.5594 11.5594 12.0987 12.0987 13.1871 13.1871 14.5294 14.5294 14.7233 14.7233 k = 0.0152 0.0262 0.4440 ( 4142 PWs) bands (ev): -14.6427 -14.6427 -11.4659 -11.4659 -11.4371 -11.4371 -11.4125 -11.4125 -10.1929 -10.1929 -10.1844 -10.1844 -9.2517 -9.2517 -9.1761 -9.1761 -6.8023 -6.8023 -6.7103 -6.7103 -6.7000 -6.7000 -5.2769 -5.2769 -0.5463 -0.5463 -0.1155 -0.1155 0.4359 0.4359 0.8231 0.8231 0.9251 0.9251 1.3438 1.3438 1.3994 1.3994 4.4807 4.4807 4.6041 4.6041 4.6282 4.6282 5.2199 5.2199 5.5201 5.5201 5.5248 5.5248 5.6133 5.6133 5.6500 5.6500 5.9625 5.9625 5.9901 5.9901 7.1038 7.1038 9.7929 9.7929 11.5664 11.5664 12.0943 12.0943 13.1873 13.1873 14.5400 14.5400 14.7097 14.7097 k = 0.0076 0.0131 0.4440 ( 4138 PWs) bands (ev): -14.6451 -14.6451 -11.4613 -11.4613 -11.4327 -11.4327 -11.4151 -11.4151 -10.1931 -10.1931 -10.1848 -10.1848 -9.2512 -9.2512 -9.1756 -9.1756 -6.8023 -6.8023 -6.7100 -6.7100 -6.6998 -6.6998 -5.2852 -5.2852 -0.5440 -0.5440 -0.1142 -0.1142 0.4584 0.4584 0.8098 0.8098 0.9097 0.9097 1.3390 1.3390 1.3939 1.3939 4.4770 4.4770 4.6234 4.6234 4.6305 4.6305 5.2087 5.2087 5.5233 5.5233 5.5284 5.5284 5.6247 5.6247 5.6588 5.6588 5.9596 5.9596 5.9880 5.9880 7.1043 7.1043 9.7803 9.7803 11.5708 11.5708 12.0915 12.0915 13.1875 13.1875 14.5470 14.5470 14.7010 14.7010 k = 0.0000 0.0000 0.4440 ( 4138 PWs) bands (ev): -14.6460 -14.6460 -11.4599 -11.4599 -11.4311 -11.4311 -11.4161 -11.4161 -10.1932 -10.1932 -10.1848 -10.1848 -9.2511 -9.2511 -9.1754 -9.1754 -6.8022 -6.8022 -6.7099 -6.7099 -6.6997 -6.6997 -5.2880 -5.2880 -0.5432 -0.5432 -0.1137 -0.1137 0.4666 0.4666 0.8044 0.8044 0.9049 0.9049 1.3373 1.3373 1.3922 1.3922 4.4758 4.4758 4.6289 4.6289 4.6324 4.6324 5.2048 5.2048 5.5242 5.5242 5.5297 5.5297 5.6282 5.6282 5.6622 5.6622 5.9586 5.9586 5.9872 5.9872 7.1045 7.1045 9.7761 9.7761 11.5722 11.5722 12.0906 12.0906 13.1875 13.1875 14.5494 14.5494 14.6980 14.6980 k = 0.5000 0.2887 0.4440 ( 4140 PWs) bands (ev): -13.8392 -13.8392 -12.9318 -12.9318 -11.6499 -11.6499 -10.9015 -10.9015 -10.4982 -10.4982 -10.0566 -10.0566 -9.3510 -9.3510 -9.2638 -9.2638 -6.8270 -6.8270 -6.7651 -6.7651 -6.7243 -6.7243 -3.3703 -3.3703 -1.3630 -1.3630 -0.5612 -0.5612 0.8879 0.8879 1.0554 1.0554 1.5472 1.5472 1.7095 1.7095 3.1985 3.1985 3.2642 3.2642 3.5041 3.5041 4.3424 4.3424 4.4280 4.4280 4.7412 4.7412 4.8383 4.8383 5.7246 5.7246 5.7545 5.7545 5.9698 5.9698 6.0569 6.0569 6.6990 6.6990 10.8298 10.8298 11.6859 11.6859 11.9993 11.9993 13.5821 13.5821 14.4557 14.4557 15.5328 15.5328 k = 0.5000 0.2887 0.4287 ( 4134 PWs) bands (ev): -13.8392 -13.8392 -12.9319 -12.9319 -11.6498 -11.6498 -10.9016 -10.9016 -10.4979 -10.4979 -10.0569 -10.0569 -9.3509 -9.3509 -9.2637 -9.2637 -6.8269 -6.8269 -6.7650 -6.7650 -6.7243 -6.7243 -3.3703 -3.3703 -1.3635 -1.3635 -0.5602 -0.5602 0.8858 0.8858 1.0555 1.0555 1.5493 1.5493 1.7081 1.7081 3.1818 3.1818 3.2768 3.2768 3.5045 3.5045 4.3351 4.3351 4.4378 4.4378 4.7407 4.7407 4.8432 4.8432 5.7238 5.7238 5.7540 5.7540 5.9699 5.9699 6.0574 6.0574 6.6979 6.6979 10.8311 10.8311 11.6829 11.6829 12.0009 12.0009 13.5803 13.5803 14.4535 14.4535 15.5355 15.5355 k = 0.5000 0.2887 0.4134 ( 4130 PWs) bands (ev): -13.8392 -13.8392 -12.9322 -12.9322 -11.6496 -11.6496 -10.9021 -10.9021 -10.4970 -10.4970 -10.0578 -10.0578 -9.3504 -9.3504 -9.2633 -9.2633 -6.8267 -6.8267 -6.7647 -6.7647 -6.7244 -6.7244 -3.3701 -3.3701 -1.3650 -1.3650 -0.5573 -0.5573 0.8795 0.8795 1.0559 1.0559 1.5555 1.5555 1.7038 1.7038 3.1468 3.1468 3.2998 3.2998 3.5058 3.5058 4.3189 4.3189 4.4614 4.4614 4.7395 4.7395 4.8575 4.8575 5.7214 5.7214 5.7526 5.7526 5.9702 5.9702 6.0588 6.0588 6.6947 6.6947 10.8348 10.8348 11.6743 11.6743 12.0054 12.0054 13.5751 13.5751 14.4471 14.4471 15.5436 15.5436 k = 0.5000 0.2887 0.3981 ( 4146 PWs) bands (ev): -13.8392 -13.8392 -12.9327 -12.9327 -11.6492 -11.6492 -10.9028 -10.9028 -10.4955 -10.4955 -10.0593 -10.0593 -9.3497 -9.3497 -9.2626 -9.2626 -6.8263 -6.8263 -6.7642 -6.7642 -6.7246 -6.7246 -3.3700 -3.3700 -1.3674 -1.3674 -0.5524 -0.5524 0.8695 0.8695 1.0565 1.0565 1.5653 1.5653 1.6967 1.6967 3.1040 3.1040 3.3232 3.3232 3.5079 3.5079 4.3005 4.3005 4.4920 4.4920 4.7382 4.7382 4.8799 4.8799 5.7175 5.7175 5.7502 5.7502 5.9706 5.9706 6.0611 6.0611 6.6896 6.6896 10.8409 10.8409 11.6607 11.6607 12.0123 12.0123 13.5662 13.5662 14.4367 14.4367 15.5567 15.5567 k = 0.5000 0.2887 0.3828 ( 4138 PWs) bands (ev): -13.8393 -13.8393 -12.9334 -12.9334 -11.6487 -11.6487 -10.9038 -10.9038 -10.4935 -10.4935 -10.0613 -10.0613 -9.3488 -9.3488 -9.2617 -9.2617 -6.8257 -6.8257 -6.7636 -6.7636 -6.7247 -6.7247 -3.3697 -3.3697 -1.3708 -1.3708 -0.5456 -0.5456 0.8561 0.8561 1.0573 1.0573 1.5783 1.5783 1.6872 1.6872 3.0560 3.0560 3.3457 3.3457 3.5108 3.5108 4.2822 4.2822 4.5268 4.5268 4.7371 4.7371 4.9088 4.9088 5.7122 5.7122 5.7470 5.7470 5.9711 5.9711 6.0643 6.0643 6.6829 6.6829 10.8491 10.8491 11.6431 11.6431 12.0208 12.0208 13.5538 13.5538 14.4230 14.4230 15.5743 15.5743 k = 0.5000 0.2887 0.3675 ( 4134 PWs) bands (ev): -13.8393 -13.8393 -12.9343 -12.9343 -11.6481 -11.6481 -10.9051 -10.9051 -10.4908 -10.4908 -10.0639 -10.0639 -9.3476 -9.3476 -9.2606 -9.2606 -6.8250 -6.8250 -6.7628 -6.7628 -6.7249 -6.7249 -3.3693 -3.3693 -1.3751 -1.3751 -0.5369 -0.5369 0.8397 0.8397 1.0583 1.0583 1.5937 1.5937 1.6756 1.6756 3.0039 3.0039 3.3673 3.3673 3.5142 3.5142 4.2650 4.2650 4.5647 4.5647 4.7367 4.7367 4.9427 4.9427 5.7057 5.7057 5.7429 5.7429 5.9714 5.9714 6.0682 6.0682 6.6750 6.6750 10.8590 10.8590 11.6222 11.6222 12.0303 12.0303 13.5378 13.5378 14.4066 14.4066 15.5958 15.5959 k = 0.5000 0.2887 0.3522 ( 4134 PWs) bands (ev): -13.8393 -13.8393 -12.9353 -12.9353 -11.6473 -11.6473 -10.9067 -10.9067 -10.4877 -10.4877 -10.0671 -10.0671 -9.3462 -9.3462 -9.2592 -9.2592 -6.8242 -6.8242 -6.7618 -6.7618 -6.7251 -6.7251 -3.3689 -3.3689 -1.3802 -1.3802 -0.5263 -0.5263 0.8208 0.8208 1.0594 1.0594 1.6101 1.6101 1.6627 1.6627 2.9487 2.9487 3.3885 3.3885 3.5182 3.5182 4.2489 4.2489 4.6046 4.6046 4.7373 4.7373 4.9799 4.9799 5.6982 5.6982 5.7382 5.7382 5.9716 5.9716 6.0727 6.0727 6.6667 6.6667 10.8704 10.8704 11.5993 11.5993 12.0403 12.0403 13.5182 13.5182 14.3883 14.3883 15.6205 15.6205 k = 0.5000 0.2887 0.3368 ( 4128 PWs) bands (ev): -13.8393 -13.8393 -12.9365 -12.9365 -11.6464 -11.6464 -10.9084 -10.9084 -10.4841 -10.4841 -10.0707 -10.0707 -9.3446 -9.3446 -9.2576 -9.2576 -6.8233 -6.8233 -6.7607 -6.7607 -6.7253 -6.7253 -3.3683 -3.3683 -1.3861 -1.3861 -0.5138 -0.5138 0.7998 0.7998 1.0606 1.0606 1.6227 1.6227 1.6532 1.6532 2.8912 2.8912 3.4099 3.4099 3.5226 3.5226 4.2342 4.2342 4.6449 4.6449 4.7399 4.7399 5.0189 5.0189 5.6899 5.6899 5.7330 5.7330 5.9716 5.9716 6.0778 6.0778 6.6584 6.6584 10.8825 10.8825 11.5751 11.5751 12.0501 12.0501 13.4948 13.4948 14.3689 14.3689 15.6475 15.6475 k = 0.5000 0.2887 0.3215 ( 4128 PWs) bands (ev): -13.8393 -13.8393 -12.9379 -12.9379 -11.6454 -11.6454 -10.9104 -10.9104 -10.4800 -10.4800 -10.0747 -10.0747 -9.3428 -9.3428 -9.2558 -9.2558 -6.8223 -6.8223 -6.7594 -6.7594 -6.7254 -6.7254 -3.3677 -3.3677 -1.3928 -1.3928 -0.4995 -0.4995 0.7772 0.7772 1.0620 1.0620 1.6176 1.6176 1.6606 1.6606 2.8324 2.8324 3.4316 3.4316 3.5275 3.5275 4.2207 4.2207 4.6815 4.6815 4.7483 4.7483 5.0579 5.0579 5.6810 5.6810 5.7273 5.7273 5.9713 5.9713 6.0833 6.0833 6.6510 6.6510 10.8948 10.8948 11.5506 11.5506 12.0595 12.0595 13.4678 13.4678 14.3492 14.3492 15.6755 15.6755 k = 0.5000 0.2887 0.3062 ( 4130 PWs) bands (ev): -13.8394 -13.8394 -12.9394 -12.9394 -11.6443 -11.6443 -10.9126 -10.9126 -10.4756 -10.4756 -10.0790 -10.0790 -9.3410 -9.3410 -9.2538 -9.2538 -6.8213 -6.8213 -6.7581 -6.7581 -6.7255 -6.7255 -3.3670 -3.3670 -1.4002 -1.4002 -0.4834 -0.4834 0.7533 0.7533 1.0635 1.0635 1.6010 1.6010 1.6782 1.6782 2.7731 2.7731 3.4542 3.4542 3.5329 3.5329 4.2083 4.2083 4.7045 4.7045 4.7717 4.7717 5.0952 5.0952 5.6716 5.6716 5.7212 5.7212 5.9709 5.9709 6.0891 6.0891 6.6453 6.6453 10.9066 10.9066 11.5270 11.5270 12.0682 12.0682 13.4371 13.4371 14.3299 14.3299 15.6986 15.6987 k = 0.5000 0.2887 0.2909 ( 4134 PWs) bands (ev): -13.8394 -13.8394 -12.9410 -12.9410 -11.6431 -11.6431 -10.9149 -10.9149 -10.4707 -10.4707 -10.0837 -10.0837 -9.3390 -9.3390 -9.2516 -9.2516 -6.8203 -6.8203 -6.7568 -6.7568 -6.7254 -6.7254 -3.3663 -3.3663 -1.4082 -1.4082 -0.4656 -0.4656 0.7282 0.7282 1.0652 1.0652 1.5814 1.5814 1.6973 1.6973 2.7142 2.7142 3.4774 3.4774 3.5391 3.5391 4.1971 4.1971 4.7128 4.7128 4.8109 4.8109 5.1293 5.1293 5.6620 5.6620 5.7148 5.7148 5.9704 5.9704 6.0952 6.0952 6.6421 6.6421 10.9168 10.9168 11.5052 11.5052 12.0759 12.0759 13.4028 13.4028 14.3116 14.3116 15.6932 15.6932 k = 0.5000 0.2887 0.2756 ( 4136 PWs) bands (ev): -13.8394 -13.8394 -12.9427 -12.9427 -11.6418 -11.6418 -10.9173 -10.9173 -10.4656 -10.4656 -10.0887 -10.0887 -9.3370 -9.3370 -9.2493 -9.2493 -6.8193 -6.8193 -6.7554 -6.7554 -6.7252 -6.7252 -3.3654 -3.3654 -1.4166 -1.4166 -0.4461 -0.4461 0.7022 0.7022 1.0669 1.0669 1.5605 1.5605 1.7158 1.7158 2.6565 2.6565 3.5007 3.5007 3.5468 3.5468 4.1869 4.1869 4.7147 4.7147 4.8570 4.8570 5.1585 5.1585 5.6523 5.6523 5.7083 5.7083 5.9699 5.9699 6.1015 6.1015 6.6421 6.6421 10.9245 10.9245 11.4864 11.4864 12.0826 12.0826 13.3652 13.3652 14.2949 14.2949 15.6788 15.6788 k = 0.5000 0.2887 0.2603 ( 4136 PWs) bands (ev): -13.8395 -13.8395 -12.9444 -12.9444 -11.6405 -11.6405 -10.9199 -10.9199 -10.4603 -10.4603 -10.0938 -10.0938 -9.3351 -9.3351 -9.2469 -9.2469 -6.8184 -6.8184 -6.7542 -6.7542 -6.7247 -6.7247 -3.3645 -3.3645 -1.4255 -1.4255 -0.4249 -0.4249 0.6754 0.6754 1.0688 1.0688 1.5390 1.5390 1.7329 1.7329 2.6010 2.6010 3.5216 3.5216 3.5588 3.5588 4.1777 4.1777 4.7141 4.7141 4.9057 4.9057 5.1815 5.1815 5.6428 5.6428 5.7018 5.7018 5.9698 5.9698 6.1078 6.1078 6.6460 6.6460 10.9287 10.9287 11.4718 11.4718 12.0881 12.0881 13.3244 13.3244 14.2800 14.2800 15.6640 15.6640 k = 0.5000 0.2887 0.2450 ( 4140 PWs) bands (ev): -13.8395 -13.8395 -12.9462 -12.9462 -11.6391 -11.6391 -10.9225 -10.9225 -10.4547 -10.4547 -10.0991 -10.0991 -9.3331 -9.3331 -9.2444 -9.2444 -6.8174 -6.8174 -6.7530 -6.7530 -6.7240 -6.7240 -3.3635 -3.3635 -1.4347 -1.4347 -0.4022 -0.4022 0.6479 0.6479 1.0709 1.0709 1.5171 1.5171 1.7478 1.7478 2.5483 2.5483 3.5361 3.5361 3.5792 3.5792 4.1693 4.1693 4.7121 4.7121 4.9552 4.9552 5.1975 5.1975 5.6336 5.6336 5.6952 5.6952 5.9700 5.9700 6.1142 6.1142 6.6542 6.6542 10.9286 10.9286 11.4623 11.4623 12.0922 12.0922 13.2809 13.2809 14.2674 14.2674 15.6495 15.6495 k = 0.5000 0.2887 0.2297 ( 4144 PWs) bands (ev): -13.8396 -13.8396 -12.9481 -12.9481 -11.6377 -11.6377 -10.9251 -10.9251 -10.4491 -10.4491 -10.1044 -10.1044 -9.3312 -9.3312 -9.2418 -9.2418 -6.8166 -6.8166 -6.7521 -6.7521 -6.7229 -6.7229 -3.3624 -3.3624 -1.4440 -1.4440 -0.3779 -0.3779 0.6197 0.6197 1.0730 1.0730 1.4953 1.4953 1.7599 1.7599 2.4994 2.4994 3.5449 3.5449 3.6072 3.6072 4.1618 4.1618 4.7089 4.7089 5.0047 5.0047 5.2059 5.2059 5.6250 5.6250 5.6887 5.6887 5.9707 5.9707 6.1204 6.1204 6.6670 6.6670 10.9235 10.9235 11.4588 11.4588 12.0950 12.0950 13.2349 13.2349 14.2571 14.2571 15.6355 15.6355 k = 0.5000 0.2887 0.2144 ( 4144 PWs) bands (ev): -13.8396 -13.8396 -12.9499 -12.9499 -11.6363 -11.6363 -10.9277 -10.9277 -10.4433 -10.4433 -10.1098 -10.1098 -9.3293 -9.3293 -9.2392 -9.2392 -6.8158 -6.8158 -6.7514 -6.7514 -6.7216 -6.7216 -3.3613 -3.3613 -1.4535 -1.4535 -0.3521 -0.3521 0.5910 0.5910 1.0752 1.0752 1.4737 1.4737 1.7687 1.7687 2.4549 2.4549 3.5512 3.5512 3.6399 3.6399 4.1550 4.1550 4.7044 4.7044 5.0533 5.0533 5.2068 5.2068 5.6171 5.6171 5.6823 5.6823 5.9717 5.9717 6.1266 6.1266 6.6842 6.6842 10.9135 10.9135 11.4615 11.4615 12.0961 12.0961 13.1872 13.1872 14.2492 14.2492 15.6223 15.6223 k = 0.5000 0.2887 0.1990 ( 4144 PWs) bands (ev): -13.8396 -13.8396 -12.9517 -12.9517 -11.6349 -11.6349 -10.9303 -10.9303 -10.4376 -10.4376 -10.1150 -10.1150 -9.3276 -9.3276 -9.2366 -9.2366 -6.8150 -6.8150 -6.7509 -6.7509 -6.7199 -6.7199 -3.3602 -3.3602 -1.4630 -1.4630 -0.3249 -0.3249 0.5616 0.5616 1.0776 1.0776 1.4526 1.4526 1.7737 1.7737 2.4155 2.4155 3.5564 3.5564 3.6758 3.6758 4.1488 4.1488 4.6985 4.6985 5.0996 5.0996 5.2015 5.2015 5.6102 5.6102 5.6762 5.6762 5.9729 5.9729 6.1326 6.1326 6.7056 6.7056 10.8989 10.8989 11.4702 11.4702 12.0956 12.0956 13.1381 13.1381 14.2436 14.2436 15.6099 15.6099 k = 0.5000 0.2887 0.1837 ( 4138 PWs) bands (ev): -13.8397 -13.8397 -12.9535 -12.9535 -11.6335 -11.6335 -10.9329 -10.9329 -10.4320 -10.4320 -10.1202 -10.1202 -9.3259 -9.3259 -9.2340 -9.2340 -6.8144 -6.8144 -6.7507 -6.7507 -6.7180 -6.7180 -3.3590 -3.3590 -1.4723 -1.4723 -0.2964 -0.2964 0.5315 0.5315 1.0800 1.0800 1.4321 1.4321 1.7746 1.7746 2.3817 2.3817 3.5609 3.5609 3.7144 3.7144 4.1434 4.1434 4.6909 4.6909 5.1385 5.1385 5.1954 5.1954 5.6042 5.6042 5.6703 5.6703 5.9742 5.9742 6.1383 6.1383 6.7305 6.7305 10.8805 10.8805 11.4844 11.4844 12.0933 12.0933 13.0885 13.0885 14.2403 14.2403 15.5983 15.5983 k = 0.5000 0.2887 0.1684 ( 4132 PWs) bands (ev): -13.8397 -13.8397 -12.9552 -12.9552 -11.6322 -11.6322 -10.9354 -10.9354 -10.4265 -10.4265 -10.1252 -10.1252 -9.3244 -9.3244 -9.2315 -9.2315 -6.8138 -6.8138 -6.7506 -6.7506 -6.7160 -6.7160 -3.3579 -3.3579 -1.4814 -1.4814 -0.2667 -0.2667 0.5009 0.5009 1.0825 1.0825 1.4125 1.4125 1.7716 1.7716 2.3536 2.3536 3.5650 3.5650 3.7555 3.7555 4.1385 4.1385 4.6812 4.6812 5.1480 5.1480 5.2115 5.2115 5.5992 5.5992 5.6647 5.6647 5.9753 5.9753 6.1438 6.1438 6.7582 6.7582 10.8593 10.8593 11.5034 11.5034 12.0889 12.0889 13.0391 13.0391 14.2390 14.2390 15.5876 15.5876 k = 0.5000 0.2887 0.1531 ( 4144 PWs) bands (ev): -13.8397 -13.8397 -12.9569 -12.9569 -11.6309 -11.6309 -10.9377 -10.9377 -10.4213 -10.4213 -10.1300 -10.1300 -9.3230 -9.3230 -9.2291 -9.2291 -6.8133 -6.8133 -6.7506 -6.7506 -6.7138 -6.7138 -3.3567 -3.3567 -1.4901 -1.4901 -0.2357 -0.2357 0.4695 0.4695 1.0851 1.0851 1.3939 1.3939 1.7649 1.7649 2.3311 2.3311 3.5686 3.5686 3.7988 3.7988 4.1342 4.1342 4.6690 4.6690 5.1307 5.1307 5.2482 5.2482 5.5951 5.5951 5.6595 5.6595 5.9760 5.9760 6.1489 6.1489 6.7877 6.7877 10.8364 10.8364 11.5264 11.5264 12.0824 12.0824 12.9905 12.9905 14.2395 14.2395 15.5776 15.5776 k = 0.5000 0.2887 0.1378 ( 4134 PWs) bands (ev): -13.8398 -13.8398 -12.9585 -12.9585 -11.6296 -11.6296 -10.9399 -10.9399 -10.4163 -10.4163 -10.1346 -10.1346 -9.3218 -9.3218 -9.2268 -9.2268 -6.8129 -6.8129 -6.7508 -6.7508 -6.7116 -6.7116 -3.3556 -3.3556 -1.4984 -1.4984 -0.2037 -0.2037 0.4374 0.4374 1.0877 1.0877 1.3765 1.3765 1.7551 1.7551 2.3137 2.3137 3.5719 3.5719 3.8443 3.8443 4.1305 4.1305 4.6537 4.6537 5.1062 5.1062 5.2868 5.2868 5.5917 5.5917 5.6547 5.6547 5.9764 5.9764 6.1537 6.1537 6.8181 6.8181 10.8127 10.8127 11.5527 11.5527 12.0734 12.0734 12.9435 12.9435 14.2414 14.2414 15.5686 15.5686 k = 0.5000 0.2887 0.1225 ( 4130 PWs) bands (ev): -13.8398 -13.8398 -12.9599 -12.9599 -11.6285 -11.6285 -10.9420 -10.9420 -10.4116 -10.4116 -10.1387 -10.1387 -9.3206 -9.3206 -9.2246 -9.2246 -6.8126 -6.8126 -6.7510 -6.7510 -6.7094 -6.7094 -3.3546 -3.3546 -1.5061 -1.5061 -0.1707 -0.1707 0.4047 0.4047 1.0902 1.0902 1.3603 1.3603 1.7432 1.7432 2.3009 2.3009 3.5749 3.5749 3.8917 3.8917 4.1273 4.1273 4.6347 4.6347 5.0798 5.0798 5.3234 5.3234 5.5891 5.5891 5.6502 5.6502 5.9764 5.9764 6.1581 6.1581 6.8483 6.8483 10.7893 10.7893 11.5818 11.5818 12.0617 12.0617 12.8991 12.8991 14.2444 14.2444 15.5604 15.5604 k = 0.5000 0.2887 0.1072 ( 4128 PWs) bands (ev): -13.8398 -13.8398 -12.9612 -12.9612 -11.6275 -11.6275 -10.9438 -10.9438 -10.4073 -10.4073 -10.1426 -10.1426 -9.3197 -9.3197 -9.2226 -9.2226 -6.8123 -6.8123 -6.7512 -6.7512 -6.7073 -6.7073 -3.3536 -3.3536 -1.5131 -1.5131 -0.1368 -0.1368 0.3712 0.3712 1.0928 1.0928 1.3456 1.3456 1.7300 1.7300 2.2917 2.2917 3.5775 3.5775 3.9407 3.9407 4.1248 4.1248 4.6115 4.6115 5.0537 5.0537 5.3571 5.3571 5.5871 5.5871 5.6462 5.6462 5.9761 5.9761 6.1621 6.1621 6.8775 6.8775 10.7668 10.7668 11.6130 11.6130 12.0471 12.0471 12.8580 12.8580 14.2482 14.2482 15.5530 15.5530 k = 0.5000 0.2887 0.0919 ( 4138 PWs) bands (ev): -13.8398 -13.8398 -12.9624 -12.9624 -11.6265 -11.6265 -10.9455 -10.9455 -10.4035 -10.4035 -10.1460 -10.1460 -9.3188 -9.3188 -9.2209 -9.2209 -6.8121 -6.8121 -6.7515 -6.7515 -6.7054 -6.7054 -3.3527 -3.3527 -1.5194 -1.5194 -0.1021 -0.1021 0.3371 0.3371 1.0952 1.0952 1.3325 1.3325 1.7166 1.7166 2.2855 2.2855 3.5797 3.5797 3.9907 3.9907 4.1233 4.1233 4.5835 4.5835 5.0295 5.0295 5.3872 5.3872 5.5856 5.5856 5.6427 5.6427 5.9755 5.9755 6.1656 6.1656 6.9046 6.9046 10.7460 10.7460 11.6459 11.6459 12.0296 12.0296 12.8208 12.8208 14.2524 14.2524 15.5466 15.5466 k = 0.5000 0.2887 0.0766 ( 4142 PWs) bands (ev): -13.8399 -13.8399 -12.9634 -12.9634 -11.6257 -11.6257 -10.9469 -10.9469 -10.4002 -10.4002 -10.1489 -10.1489 -9.3181 -9.3181 -9.2193 -9.2193 -6.8119 -6.8119 -6.7517 -6.7517 -6.7037 -6.7037 -3.3519 -3.3519 -1.5249 -1.5249 -0.0668 -0.0668 0.3024 0.3024 1.0975 1.0975 1.3211 1.3211 1.7038 1.7038 2.2814 2.2814 3.5817 3.5817 4.0406 4.0406 4.1235 4.1235 4.5506 4.5506 5.0083 5.0083 5.4132 5.4132 5.5845 5.5845 5.6396 5.6396 5.9747 5.9747 6.1687 6.1687 6.9289 6.9289 10.7274 10.7274 11.6800 11.6800 12.0089 12.0089 12.7884 12.7884 14.2566 14.2566 15.5410 15.5410 k = 0.5000 0.2887 0.0612 ( 4138 PWs) bands (ev): -13.8399 -13.8399 -12.9642 -12.9642 -11.6250 -11.6250 -10.9481 -10.9481 -10.3974 -10.3974 -10.1514 -10.1514 -9.3176 -9.3176 -9.2181 -9.2181 -6.8117 -6.8117 -6.7519 -6.7519 -6.7023 -6.7023 -3.3513 -3.3513 -1.5295 -1.5295 -0.0311 -0.0311 0.2672 0.2672 1.0996 1.0996 1.3115 1.3115 1.6924 1.6924 2.2788 2.2788 3.5833 3.5833 4.0848 4.0848 4.1307 4.1307 4.5131 4.5131 4.9907 4.9907 5.4350 5.4350 5.5837 5.5837 5.6371 5.6371 5.9739 5.9739 6.1712 6.1712 6.9498 6.9498 10.7115 10.7115 11.7151 11.7151 11.9853 11.9853 12.7612 12.7612 14.2607 14.2607 15.5364 15.5364 k = 0.5000 0.2887 0.0459 ( 4138 PWs) bands (ev): -13.8399 -13.8399 -12.9649 -12.9649 -11.6245 -11.6245 -10.9491 -10.9491 -10.3952 -10.3952 -10.1533 -10.1533 -9.3171 -9.3171 -9.2171 -9.2171 -6.8116 -6.8116 -6.7521 -6.7521 -6.7011 -6.7011 -3.3507 -3.3507 -1.5331 -1.5331 0.0049 0.0049 0.2317 0.2317 1.1013 1.1013 1.3039 1.3039 1.6829 1.6829 2.2773 2.2773 3.5845 3.5845 4.1046 4.1046 4.1628 4.1628 4.4714 4.4714 4.9770 4.9770 5.4522 5.4522 5.5832 5.5832 5.6351 5.6351 5.9731 5.9731 6.1732 6.1732 6.9666 6.9666 10.6988 10.6988 11.7504 11.7504 11.9590 11.9590 12.7397 12.7397 14.2641 14.2641 15.5328 15.5328 k = 0.5000 0.2887 0.0306 ( 4142 PWs) bands (ev): -13.8399 -13.8399 -12.9654 -12.9654 -11.6241 -11.6241 -10.9497 -10.9497 -10.3936 -10.3936 -10.1547 -10.1547 -9.3168 -9.3168 -9.2163 -9.2163 -6.8116 -6.8116 -6.7522 -6.7522 -6.7003 -6.7003 -3.3503 -3.3503 -1.5358 -1.5358 0.0405 0.0405 0.1964 0.1964 1.1026 1.1026 1.2984 1.2984 1.6759 1.6759 2.2765 2.2765 3.5854 3.5854 4.1082 4.1082 4.2109 4.2109 4.4268 4.4268 4.9674 4.9674 5.4647 5.4647 5.5829 5.5829 5.6337 5.6337 5.9725 5.9725 6.1746 6.1746 6.9790 6.9790 10.6895 10.6895 11.7852 11.7852 11.9306 11.9306 12.7242 12.7242 14.2668 14.2668 15.5301 15.5301 k = 0.5000 0.2887 0.0153 ( 4138 PWs) bands (ev): -13.8399 -13.8399 -12.9657 -12.9657 -11.6239 -11.6239 -10.9501 -10.9501 -10.3926 -10.3926 -10.1556 -10.1556 -9.3166 -9.3166 -9.2159 -9.2159 -6.8115 -6.8115 -6.7523 -6.7523 -6.6998 -6.6998 -3.3501 -3.3501 -1.5373 -1.5373 0.0743 0.0743 0.1629 0.1629 1.1034 1.1034 1.2950 1.2950 1.6715 1.6715 2.2761 2.2761 3.5859 3.5859 4.1090 4.1090 4.2590 4.2590 4.3821 4.3821 4.9617 4.9617 5.4722 5.4722 5.5827 5.5827 5.6328 5.6328 5.9721 5.9721 6.1755 6.1755 6.9865 6.9865 10.6838 10.6838 11.8175 11.8175 11.9022 11.9022 12.7148 12.7148 14.2684 14.2684 15.5285 15.5285 k = 0.5000 0.2887-0.0000 ( 4148 PWs) bands (ev): -13.8399 -13.8399 -12.9658 -12.9658 -11.6238 -11.6238 -10.9503 -10.9503 -10.3923 -10.3923 -10.1559 -10.1559 -9.3166 -9.3166 -9.2157 -9.2157 -6.8115 -6.8115 -6.7524 -6.7524 -6.6996 -6.6996 -3.3500 -3.3500 -1.5379 -1.5379 0.0945 0.0945 0.1428 0.1428 1.1037 1.1037 1.2939 1.2939 1.6701 1.6701 2.2759 2.2759 3.5861 3.5861 4.1091 4.1091 4.2880 4.2880 4.3542 4.3542 4.9598 4.9598 5.4747 5.4747 5.5827 5.5827 5.6325 5.6325 5.9720 5.9720 6.1758 6.1758 6.9891 6.9891 10.6819 10.6819 11.8358 11.8358 11.8851 11.8851 12.7116 12.7116 14.2690 14.2690 15.5280 15.5280 k = 0.3333 0.5774-0.0000 ( 4170 PWs) bands (ev): -13.4054 -13.4054 -13.3976 -13.3976 -11.7484 -11.7484 -10.7403 -10.7403 -10.7243 -10.7243 -9.9899 -9.9899 -9.3213 -9.3213 -9.2169 -9.2169 -6.8120 -6.8120 -6.7299 -6.7299 -6.7096 -6.7096 -2.4075 -2.4075 -2.4043 -2.4043 -0.0753 -0.0753 0.6161 0.6161 0.6477 0.6477 1.9044 1.9044 2.0325 2.0325 2.0396 2.0396 2.3466 2.3466 3.5102 3.5102 4.8118 4.8118 5.2314 5.2314 5.2359 5.2359 5.4725 5.4725 5.4941 5.4941 5.7158 5.7158 5.9418 5.9418 5.9436 5.9436 6.9814 6.9814 10.8199 10.8199 11.6047 11.6047 11.8878 11.8878 12.3075 12.3075 13.9885 13.9885 16.0316 16.0316 k = 0.3333 0.5774 0.0153 ( 4173 PWs) bands (ev): -13.4060 -13.4060 -13.3981 -13.3981 -11.7498 -11.7498 -10.7366 -10.7366 -10.7208 -10.7208 -9.9864 -9.9864 -9.3239 -9.3239 -9.2207 -9.2207 -6.8130 -6.8130 -6.7337 -6.7337 -6.7119 -6.7119 -2.4012 -2.4012 -2.3980 -2.3980 -0.1331 -0.1331 0.6161 0.6161 0.6485 0.6485 1.9533 1.9533 2.0445 2.0445 2.0672 2.0672 2.3467 2.3467 3.5566 3.5566 4.8121 4.8121 5.2230 5.2230 5.2278 5.2278 5.4534 5.4534 5.4813 5.4813 5.6977 5.6977 5.9459 5.9459 5.9483 5.9483 6.8996 6.8996 10.8619 10.8619 11.6457 11.6457 11.8649 11.8649 12.2684 12.2684 14.0041 14.0041 16.0468 16.0468 k = 0.3333 0.5774 0.0306 ( 4179 PWs) bands (ev): -13.4065 -13.4065 -13.3987 -13.3987 -11.7510 -11.7510 -10.7327 -10.7327 -10.7171 -10.7171 -9.9832 -9.9832 -9.3267 -9.3267 -9.2248 -9.2248 -6.8141 -6.8141 -6.7377 -6.7377 -6.7143 -6.7143 -2.3948 -2.3948 -2.3915 -2.3915 -0.1878 -0.1878 0.6164 0.6164 0.6496 0.6496 1.9820 1.9820 2.0516 2.0516 2.1220 2.1220 2.3468 2.3468 3.6065 3.6065 4.8123 4.8123 5.2120 5.2120 5.2178 5.2178 5.4324 5.4324 5.4662 5.4662 5.6788 5.6788 5.9506 5.9506 5.9536 5.9536 6.8138 6.8138 10.9048 10.9048 11.6856 11.6856 11.8446 11.8446 12.2343 12.2343 14.0210 14.0210 16.0586 16.0586 k = 0.3333 0.5774 0.0459 ( 4173 PWs) bands (ev): -13.4070 -13.4070 -13.3992 -13.3992 -11.7521 -11.7521 -10.7286 -10.7286 -10.7133 -10.7133 -9.9802 -9.9802 -9.3296 -9.3296 -9.2292 -9.2292 -6.8154 -6.8154 -6.7419 -6.7419 -6.7167 -6.7167 -2.3884 -2.3884 -2.3849 -2.3849 -0.2392 -0.2392 0.6168 0.6168 0.6510 0.6510 2.0007 2.0007 2.0607 2.0607 2.1859 2.1859 2.3473 2.3473 3.6602 3.6602 4.8124 4.8124 5.1974 5.1974 5.2054 5.2054 5.4110 5.4110 5.4500 5.4500 5.6589 5.6589 5.9557 5.9557 5.9594 5.9594 6.7250 6.7250 10.9477 10.9477 11.7230 11.7230 11.8274 11.8274 12.2065 12.2065 14.0389 14.0389 16.0667 16.0667 k = 0.3333 0.5774 0.0612 ( 4173 PWs) bands (ev): -13.4075 -13.4075 -13.3996 -13.3996 -11.7530 -11.7530 -10.7244 -10.7244 -10.7095 -10.7095 -9.9775 -9.9775 -9.3326 -9.3326 -9.2338 -9.2338 -6.8166 -6.8166 -6.7463 -6.7463 -6.7191 -6.7191 -2.3820 -2.3820 -2.3784 -2.3784 -0.2873 -0.2873 0.6175 0.6175 0.6525 0.6525 2.0170 2.0170 2.0719 2.0719 2.2507 2.2507 2.3482 2.3482 3.7178 3.7178 4.8123 4.8123 5.1780 5.1780 5.1900 5.1900 5.3910 5.3910 5.4336 5.4336 5.6374 5.6374 5.9611 5.9611 5.9653 5.9653 6.6343 6.6343 10.9897 10.9897 11.7556 11.7556 11.8138 11.8138 12.1869 12.1869 14.0575 14.0575 16.0714 16.0714 k = 0.3333 0.5774 0.0766 ( 4173 PWs) bands (ev): -13.4079 -13.4079 -13.4001 -13.4001 -11.7537 -11.7537 -10.7201 -10.7201 -10.7057 -10.7057 -9.9751 -9.9751 -9.3357 -9.3357 -9.2387 -9.2387 -6.8179 -6.8179 -6.7507 -6.7507 -6.7216 -6.7216 -2.3758 -2.3758 -2.3719 -2.3719 -0.3319 -0.3319 0.6184 0.6184 0.6542 0.6542 2.0335 2.0335 2.0851 2.0851 2.3114 2.3114 2.3516 2.3516 3.7795 3.7795 4.8121 4.8121 5.1529 5.1529 5.1708 5.1708 5.3738 5.3738 5.4182 5.4182 5.6137 5.6137 5.9666 5.9666 5.9713 5.9713 6.5428 6.5428 11.0299 11.0299 11.7808 11.7808 11.8044 11.8044 12.1781 12.1781 14.0765 14.0765 16.0726 16.0726 k = 0.3333 0.5774 0.0919 ( 4176 PWs) bands (ev): -13.4083 -13.4083 -13.4004 -13.4004 -11.7541 -11.7541 -10.7158 -10.7158 -10.7020 -10.7020 -9.9731 -9.9731 -9.3388 -9.3388 -9.2436 -9.2436 -6.8193 -6.8193 -6.7552 -6.7552 -6.7239 -6.7239 -2.3698 -2.3698 -2.3657 -2.3657 -0.3729 -0.3729 0.6195 0.6195 0.6561 0.6561 2.0512 2.0512 2.1002 2.1002 2.3421 2.3421 2.3819 2.3819 3.8451 3.8451 4.8118 4.8118 5.1217 5.1217 5.1475 5.1475 5.3602 5.3602 5.4047 5.4047 5.5869 5.5869 5.9720 5.9720 5.9770 5.9770 6.4521 6.4521 11.0671 11.0671 11.7960 11.7960 11.8001 11.8001 12.1821 12.1821 14.0956 14.0956 16.0706 16.0706 k = 0.3333 0.5774 0.1072 ( 4176 PWs) bands (ev): -13.4086 -13.4086 -13.4008 -13.4008 -11.7544 -11.7544 -10.7116 -10.7116 -10.6984 -10.6984 -9.9716 -9.9716 -9.3419 -9.3419 -9.2486 -9.2486 -6.8207 -6.8207 -6.7596 -6.7596 -6.7262 -6.7262 -2.3640 -2.3640 -2.3596 -2.3596 -0.4104 -0.4104 0.6207 0.6207 0.6581 0.6581 2.0704 2.0704 2.1172 2.1172 2.3456 2.3456 2.4359 2.4359 3.9147 3.9147 4.8113 4.8113 5.0848 5.0848 5.1199 5.1199 5.3504 5.3504 5.3936 5.3936 5.5560 5.5560 5.9771 5.9771 5.9823 5.9823 6.3639 6.3639 11.1003 11.1003 11.8004 11.8004 11.8017 11.8017 12.1999 12.1999 14.1145 14.1145 16.0653 16.0653 k = 0.3333 0.5774 0.1225 ( 4164 PWs) bands (ev): -13.4088 -13.4088 -13.4011 -13.4011 -11.7544 -11.7544 -10.7074 -10.7074 -10.6950 -10.6950 -9.9704 -9.9704 -9.3450 -9.3450 -9.2536 -9.2536 -6.8221 -6.8221 -6.7639 -6.7639 -6.7283 -6.7283 -2.3586 -2.3586 -2.3539 -2.3539 -0.4443 -0.4443 0.6221 0.6221 0.6601 0.6601 2.0913 2.0913 2.1361 2.1361 2.3470 2.3470 2.4880 2.4880 3.9878 3.9878 4.8107 4.8107 5.0433 5.0433 5.0882 5.0882 5.3439 5.3439 5.3851 5.3851 5.5195 5.5195 5.9818 5.9818 5.9872 5.9872 6.2803 6.2803 11.1282 11.1282 11.7950 11.7950 11.8097 11.8097 12.2298 12.2298 14.1331 14.1331 16.0569 16.0569 k = 0.3333 0.5774 0.1378 ( 4158 PWs) bands (ev): -13.4090 -13.4090 -13.4013 -13.4013 -11.7543 -11.7543 -10.7034 -10.7034 -10.6917 -10.6917 -9.9696 -9.9696 -9.3479 -9.3479 -9.2586 -9.2586 -6.8235 -6.8235 -6.7681 -6.7681 -6.7304 -6.7304 -2.3535 -2.3535 -2.3485 -2.3485 -0.4745 -0.4745 0.6235 0.6235 0.6621 0.6621 2.1139 2.1139 2.1567 2.1567 2.3480 2.3480 2.5364 2.5364 4.0637 4.0637 4.8100 4.8100 4.9982 4.9982 5.0529 5.0529 5.3400 5.3400 5.3790 5.3790 5.4762 5.4762 5.9860 5.9860 5.9914 5.9914 6.2036 6.2036 11.1502 11.1502 11.7823 11.7823 11.8247 11.8247 12.2693 12.2693 14.1511 14.1511 16.0456 16.0456 k = 0.3333 0.5774 0.1531 ( 4149 PWs) bands (ev): -13.4092 -13.4092 -13.4015 -13.4015 -11.7539 -11.7539 -10.6995 -10.6995 -10.6886 -10.6886 -9.9693 -9.9693 -9.3508 -9.3508 -9.2635 -9.2635 -6.8249 -6.8249 -6.7722 -6.7722 -6.7323 -6.7323 -2.3490 -2.3490 -2.3436 -2.3436 -0.5010 -0.5010 0.6250 0.6250 0.6641 0.6641 2.1381 2.1381 2.1789 2.1789 2.3491 2.3491 2.5807 2.5807 4.1415 4.1415 4.8091 4.8091 4.9508 4.9508 5.0147 5.0147 5.3378 5.3378 5.3753 5.3753 5.4253 5.4253 5.9897 5.9897 5.9948 5.9948 6.1358 6.1358 11.1659 11.1659 11.7646 11.7646 11.8468 11.8468 12.3158 12.3158 14.1683 14.1683 16.0314 16.0314 k = 0.3333 0.5774 0.1684 ( 4149 PWs) bands (ev): -13.4092 -13.4092 -13.4016 -13.4016 -11.7533 -11.7533 -10.6959 -10.6959 -10.6859 -10.6859 -9.9694 -9.9694 -9.3535 -9.3535 -9.2682 -9.2682 -6.8262 -6.8262 -6.7760 -6.7760 -6.7340 -6.7340 -2.3449 -2.3449 -2.3392 -2.3392 -0.5237 -0.5237 0.6265 0.6265 0.6661 0.6661 2.1638 2.1638 2.2026 2.2026 2.3504 2.3504 2.6209 2.6209 4.2196 4.2196 4.8081 4.8081 4.9023 4.9023 4.9744 4.9744 5.3341 5.3341 5.3696 5.3696 5.3734 5.3734 5.9927 5.9927 5.9970 5.9970 6.0788 6.0788 11.1751 11.1751 11.7439 11.7439 11.8755 11.8755 12.3670 12.3670 14.1847 14.1847 16.0145 16.0145 k = 0.3333 0.5774 0.1837 ( 4146 PWs) bands (ev): -13.4093 -13.4093 -13.4017 -13.4017 -11.7525 -11.7525 -10.6925 -10.6925 -10.6834 -10.6834 -9.9699 -9.9699 -9.3560 -9.3560 -9.2727 -9.2727 -6.8274 -6.8274 -6.7796 -6.7796 -6.7355 -6.7355 -2.3414 -2.3414 -2.3353 -2.3353 -0.5428 -0.5428 0.6281 0.6281 0.6679 0.6679 2.1907 2.1907 2.2274 2.2274 2.3518 2.3518 2.6572 2.6572 4.2953 4.2953 4.8068 4.8068 4.8540 4.8540 4.9327 4.9327 5.2936 5.2936 5.3455 5.3455 5.3732 5.3732 5.9950 5.9950 5.9964 5.9964 6.0346 6.0346 11.1785 11.1785 11.7214 11.7214 11.9101 11.9101 12.4217 12.4217 14.2002 14.2002 15.9949 15.9949 k = 0.3333 0.5774 0.1990 ( 4140 PWs) bands (ev): -13.4092 -13.4092 -13.4017 -13.4017 -11.7515 -11.7515 -10.6895 -10.6895 -10.6813 -10.6813 -9.9709 -9.9709 -9.3583 -9.3583 -9.2769 -9.2769 -6.8285 -6.8285 -6.7828 -6.7828 -6.7369 -6.7369 -2.3385 -2.3385 -2.3320 -2.3320 -0.5581 -0.5581 0.6296 0.6296 0.6697 0.6697 2.2184 2.2184 2.2533 2.2533 2.3538 2.3538 2.6899 2.6899 4.3639 4.3639 4.8008 4.8008 4.8121 4.8121 4.8902 4.8902 5.2273 5.2273 5.3461 5.3461 5.3743 5.3743 5.9839 5.9839 5.9966 5.9966 6.0118 6.0118 11.1766 11.1766 11.6978 11.6978 11.9497 11.9497 12.4787 12.4787 14.2147 14.2147 15.9728 15.9728 k = 0.3333 0.5774 0.2144 ( 4140 PWs) bands (ev): -13.4091 -13.4091 -13.4016 -13.4016 -11.7503 -11.7503 -10.6868 -10.6868 -10.6795 -10.6795 -9.9724 -9.9724 -9.3603 -9.3603 -9.2807 -9.2807 -6.8295 -6.8295 -6.7858 -6.7858 -6.7381 -6.7381 -2.3362 -2.3362 -2.3294 -2.3294 -0.5697 -0.5697 0.6311 0.6311 0.6713 0.6713 2.2464 2.2464 2.2799 2.2799 2.3564 2.3564 2.7191 2.7191 4.4176 4.4176 4.7626 4.7626 4.8061 4.8061 4.8477 4.8477 5.1646 5.1646 5.3493 5.3493 5.3765 5.3765 5.9607 5.9607 5.9975 5.9975 6.0079 6.0079 11.1701 11.1701 11.6736 11.6736 11.9931 11.9931 12.5373 12.5373 14.2281 14.2281 15.9482 15.9482 k = 0.3333 0.5774 0.2297 ( 4152 PWs) bands (ev): -13.4089 -13.4089 -13.4015 -13.4015 -11.7490 -11.7490 -10.6846 -10.6846 -10.6782 -10.6782 -9.9742 -9.9742 -9.3621 -9.3621 -9.2841 -9.2841 -6.8304 -6.8304 -6.7883 -6.7883 -6.7391 -6.7391 -2.3346 -2.3346 -2.3274 -2.3274 -0.5776 -0.5776 0.6325 0.6325 0.6728 0.6728 2.2737 2.2737 2.3069 2.3069 2.3604 2.3604 2.7452 2.7452 4.4448 4.4448 4.7245 4.7245 4.8046 4.8046 4.8057 4.8057 5.1191 5.1191 5.3536 5.3536 5.3796 5.3796 5.9414 5.9414 5.9977 5.9977 6.0068 6.0068 11.1599 11.1599 11.6492 11.6492 12.0393 12.0393 12.5971 12.5971 14.2405 14.2405 15.9212 15.9212 k = 0.3333 0.5774 0.2450 ( 4128 PWs) bands (ev): -13.4087 -13.4087 -13.4013 -13.4013 -11.7475 -11.7475 -10.6827 -10.6827 -10.6772 -10.6772 -9.9764 -9.9764 -9.3636 -9.3636 -9.2871 -9.2871 -6.8311 -6.8311 -6.7905 -6.7905 -6.7399 -6.7399 -2.3336 -2.3336 -2.3260 -2.3260 -0.5817 -0.5817 0.6339 0.6339 0.6741 0.6741 2.2984 2.2984 2.3340 2.3340 2.3672 2.3672 2.7685 2.7685 4.4364 4.4364 4.6870 4.6870 4.7649 4.7649 4.8033 4.8033 5.1062 5.1062 5.3588 5.3588 5.3834 5.3834 5.9275 5.9275 5.9971 5.9971 6.0057 6.0057 11.1467 11.1467 11.6248 11.6248 12.0873 12.0873 12.6577 12.6577 14.2518 14.2518 15.8920 15.8920 k = 0.3333 0.5774 0.2603 ( 4137 PWs) bands (ev): -13.4084 -13.4084 -13.4011 -13.4011 -11.7458 -11.7458 -10.6813 -10.6813 -10.6767 -10.6767 -9.9791 -9.9791 -9.3647 -9.3647 -9.2896 -9.2896 -6.8316 -6.8316 -6.7922 -6.7922 -6.7405 -6.7405 -2.3333 -2.3333 -2.3253 -2.3253 -0.5822 -0.5822 0.6352 0.6352 0.6753 0.6753 2.3178 2.3178 2.3607 2.3607 2.3792 2.3792 2.7893 2.7893 4.3935 4.3935 4.6436 4.6436 4.7259 4.7259 4.8021 4.8021 5.1325 5.1325 5.3648 5.3648 5.3879 5.3879 5.9183 5.9183 5.9958 5.9958 6.0042 6.0042 11.1308 11.1308 11.6005 11.6005 12.1363 12.1363 12.7187 12.7187 14.2621 14.2621 15.8605 15.8605 k = 0.3333 0.5774 0.2756 ( 4137 PWs) bands (ev): -13.4080 -13.4080 -13.4008 -13.4008 -11.7441 -11.7441 -10.6804 -10.6804 -10.6766 -10.6766 -9.9820 -9.9820 -9.3655 -9.3655 -9.2916 -9.2916 -6.8319 -6.8319 -6.7935 -6.7935 -6.7410 -6.7410 -2.3336 -2.3336 -2.3254 -2.3254 -0.5790 -0.5790 0.6364 0.6364 0.6762 0.6762 2.3301 2.3301 2.3867 2.3867 2.3977 2.3977 2.8077 2.8077 4.3238 4.3238 4.5956 4.5956 4.6892 4.6892 4.8009 4.8009 5.1905 5.1905 5.3716 5.3716 5.3929 5.3929 5.9129 5.9129 5.9939 5.9939 6.0020 6.0020 11.1128 11.1128 11.5763 11.5763 12.1855 12.1855 12.7799 12.7799 14.2714 14.2714 15.8269 15.8269 k = 0.3333 0.5774 0.2909 ( 4131 PWs) bands (ev): -13.4077 -13.4077 -13.4005 -13.4005 -11.7422 -11.7422 -10.6800 -10.6800 -10.6769 -10.6769 -9.9853 -9.9853 -9.3659 -9.3659 -9.2931 -9.2931 -6.8321 -6.8321 -6.7943 -6.7943 -6.7412 -6.7412 -2.3346 -2.3346 -2.3260 -2.3260 -0.5721 -0.5721 0.6375 0.6375 0.6770 0.6770 2.3369 2.3369 2.4116 2.4116 2.4204 2.4204 2.8242 2.8242 4.2342 4.2342 4.5489 4.5489 4.6555 4.6555 4.7996 4.7996 5.2675 5.2675 5.3801 5.3801 5.3983 5.3983 5.9107 5.9107 5.9913 5.9913 5.9993 5.9993 11.0931 11.0931 11.5524 11.5524 12.2343 12.2343 12.8411 12.8411 14.2798 14.2798 15.7914 15.7914 k = 0.3333 0.5774 0.3062 ( 4140 PWs) bands (ev): -13.4072 -13.4072 -13.4001 -13.4001 -11.7403 -11.7403 -10.6800 -10.6800 -10.6777 -10.6777 -9.9888 -9.9888 -9.3660 -9.3660 -9.2940 -9.2940 -6.8320 -6.8320 -6.7947 -6.7947 -6.7413 -6.7413 -2.3363 -2.3363 -2.3274 -2.3274 -0.5616 -0.5616 0.6386 0.6386 0.6776 0.6776 2.3409 2.3409 2.4347 2.4347 2.4442 2.4442 2.8389 2.8389 4.1305 4.1305 4.5073 4.5073 4.6253 4.6253 4.7984 4.7984 5.3472 5.3472 5.3980 5.3980 5.4040 5.4040 5.9111 5.9111 5.9881 5.9881 5.9960 5.9960 11.0719 11.0719 11.5287 11.5287 12.2821 12.2821 12.9020 12.9020 14.2874 14.2874 15.7542 15.7542 k = 0.3333 0.5774 0.3215 ( 4122 PWs) bands (ev): -13.4067 -13.4067 -13.3997 -13.3997 -11.7382 -11.7382 -10.6806 -10.6806 -10.6789 -10.6789 -9.9925 -9.9925 -9.3657 -9.3657 -9.2943 -9.2943 -6.8317 -6.8317 -6.7946 -6.7946 -6.7412 -6.7412 -2.3385 -2.3385 -2.3294 -2.3294 -0.5475 -0.5475 0.6395 0.6395 0.6781 0.6781 2.3435 2.3435 2.4557 2.4557 2.4670 2.4670 2.8521 2.8521 4.0172 4.0172 4.4720 4.4720 4.5992 4.5992 4.7973 4.7973 5.3812 5.3812 5.4098 5.4098 5.4685 5.4685 5.9138 5.9138 5.9843 5.9843 5.9922 5.9922 11.0495 11.0495 11.5053 11.5053 12.3284 12.3284 12.9624 12.9624 14.2942 14.2942 15.7155 15.7155 k = 0.3333 0.5774 0.3368 ( 4116 PWs) bands (ev): -13.4062 -13.4062 -13.3992 -13.3992 -11.7362 -11.7362 -10.6816 -10.6816 -10.6804 -10.6804 -9.9964 -9.9964 -9.3651 -9.3651 -9.2940 -9.2940 -6.8312 -6.8312 -6.7941 -6.7941 -6.7409 -6.7409 -2.3414 -2.3414 -2.3320 -2.3320 -0.5299 -0.5299 0.6404 0.6404 0.6783 0.6783 2.3453 2.3453 2.4740 2.4740 2.4876 2.4876 2.8640 2.8640 3.8974 3.8974 4.4435 4.4435 4.5777 4.5777 4.7962 4.7962 5.3919 5.3919 5.4158 5.4158 5.5659 5.5659 5.9188 5.9188 5.9801 5.9801 5.9880 5.9880 11.0260 11.0260 11.4823 11.4823 12.3725 12.3725 13.0219 13.0219 14.3003 14.3003 15.6756 15.6756 k = 0.3333 0.5774 0.3522 ( 4122 PWs) bands (ev): -13.4057 -13.4057 -13.3987 -13.3987 -11.7341 -11.7341 -10.6831 -10.6831 -10.6824 -10.6824 -10.0005 -10.0005 -9.3641 -9.3641 -9.2932 -9.2932 -6.8306 -6.8306 -6.7930 -6.7930 -6.7404 -6.7404 -2.3448 -2.3448 -2.3352 -2.3352 -0.5088 -0.5088 0.6412 0.6412 0.6785 0.6785 2.3466 2.3466 2.4894 2.4894 2.5051 2.5051 2.8748 2.8748 3.7735 3.7735 4.4219 4.4219 4.5611 4.5611 4.7952 4.7952 5.4000 5.4000 5.4218 5.4218 5.6665 5.6665 5.9265 5.9265 5.9755 5.9755 5.9836 5.9836 11.0016 11.0016 11.4597 11.4597 12.4142 12.4142 13.0803 13.0803 14.3058 14.3058 15.6349 15.6349 k = 0.3333 0.5774 0.3675 ( 4116 PWs) bands (ev): -13.4051 -13.4051 -13.3982 -13.3982 -11.7321 -11.7321 -10.6851 -10.6851 -10.6847 -10.6847 -10.0046 -10.0046 -9.3628 -9.3628 -9.2918 -9.2918 -6.8297 -6.8297 -6.7916 -6.7916 -6.7397 -6.7397 -2.3487 -2.3487 -2.3389 -2.3389 -0.4843 -0.4843 0.6419 0.6419 0.6785 0.6785 2.3476 2.3476 2.5013 2.5013 2.5187 2.5187 2.8847 2.8847 3.6468 3.6468 4.4074 4.4074 4.5500 4.5500 4.7942 4.7942 5.4074 5.4074 5.4278 5.4278 5.7644 5.7644 5.9391 5.9391 5.9707 5.9707 5.9796 5.9796 10.9765 10.9765 11.4375 11.4375 12.4529 12.4529 13.1372 13.1372 14.3106 14.3106 15.5937 15.5937 k = 0.3333 0.5774 0.3828 ( 4125 PWs) bands (ev): -13.4046 -13.4046 -13.3976 -13.3976 -11.7301 -11.7301 -10.6875 -10.6875 -10.6874 -10.6874 -10.0088 -10.0088 -9.3612 -9.3612 -9.2899 -9.2899 -6.8287 -6.8287 -6.7897 -6.7897 -6.7389 -6.7389 -2.3532 -2.3532 -2.3432 -2.3432 -0.4564 -0.4564 0.6425 0.6425 0.6784 0.6784 2.3483 2.3483 2.5094 2.5094 2.5282 2.5282 2.8940 2.8940 3.5184 3.5184 4.4003 4.4003 4.5444 4.5444 4.7933 4.7933 5.4145 5.4145 5.4335 5.4335 5.8475 5.8475 5.9604 5.9604 5.9656 5.9656 5.9827 5.9827 10.9508 10.9508 11.4158 11.4158 12.4881 12.4881 13.1922 13.1922 14.3149 14.3149 15.5527 15.5527 k = 0.3333 0.5774 0.3981 ( 4137 PWs) bands (ev): -13.4040 -13.4040 -13.3971 -13.3971 -11.7281 -11.7281 -10.6903 -10.6903 -10.6903 -10.6903 -10.0130 -10.0130 -9.3593 -9.3593 -9.2875 -9.2875 -6.8276 -6.8276 -6.7874 -6.7874 -6.7379 -6.7379 -2.3580 -2.3580 -2.3479 -2.3479 -0.4251 -0.4251 0.6431 0.6431 0.6781 0.6781 2.3489 2.3489 2.5137 2.5137 2.5330 2.5330 2.9027 2.9027 3.3890 3.3890 4.4005 4.4005 4.5447 4.5447 4.7925 4.7925 5.4212 5.4212 5.4390 5.4390 5.8949 5.8949 5.9603 5.9603 5.9642 5.9642 6.0393 6.0393 10.9246 10.9246 11.3946 11.3946 12.5196 12.5196 13.2448 13.2448 14.3185 14.3185 15.5122 15.5122 k = 0.3333 0.5774 0.4134 ( 4140 PWs) bands (ev): -13.4034 -13.4034 -13.3965 -13.3965 -11.7263 -11.7263 -10.6936 -10.6936 -10.6934 -10.6934 -10.0171 -10.0171 -9.3571 -9.3571 -9.2846 -9.2846 -6.8263 -6.8263 -6.7847 -6.7847 -6.7367 -6.7367 -2.3632 -2.3632 -2.3531 -2.3531 -0.3906 -0.3906 0.6436 0.6436 0.6778 0.6778 2.3492 2.3492 2.5140 2.5140 2.5331 2.5331 2.9111 2.9111 3.2592 3.2592 4.4080 4.4080 4.5509 4.5509 4.7919 4.7919 5.4275 5.4275 5.4441 5.4441 5.9151 5.9151 5.9551 5.9551 5.9599 5.9599 6.1304 6.1304 10.8980 10.8980 11.3741 11.3741 12.5469 12.5469 13.2943 13.2943 14.3213 14.3213 15.4731 15.4731 k = 0.3333 0.5774 0.4287 ( 4134 PWs) bands (ev): -13.4028 -13.4028 -13.3960 -13.3960 -11.7245 -11.7245 -10.6970 -10.6970 -10.6969 -10.6969 -10.0210 -10.0210 -9.3548 -9.3548 -9.2813 -9.2813 -6.8249 -6.8249 -6.7817 -6.7817 -6.7353 -6.7353 -2.3687 -2.3687 -2.3585 -2.3585 -0.3530 -0.3530 0.6440 0.6440 0.6774 0.6774 2.3493 2.3493 2.5103 2.5103 2.5285 2.5285 2.9192 2.9192 3.1296 3.1296 4.4226 4.4226 4.5627 4.5627 4.7913 4.7913 5.4334 5.4334 5.4488 5.4488 5.9264 5.9264 5.9501 5.9501 5.9551 5.9551 6.2299 6.2299 10.8712 10.8712 11.3543 11.3543 12.5698 12.5698 13.3401 13.3401 14.3232 14.3232 15.4274 15.4274 k = 0.3333 0.5774 0.4440 ( 4140 PWs) bands (ev): -13.4022 -13.4022 -13.3954 -13.3954 -11.7229 -11.7229 -10.7007 -10.7007 -10.7006 -10.7006 -10.0248 -10.0248 -9.3522 -9.3522 -9.2776 -9.2776 -6.8235 -6.8235 -6.7783 -6.7783 -6.7337 -6.7337 -2.3745 -2.3745 -2.3643 -2.3643 -0.3122 -0.3122 0.6443 0.6443 0.6768 0.6768 2.3491 2.3491 2.5028 2.5028 2.5193 2.5193 2.9268 2.9268 3.0010 3.0010 4.4439 4.4439 4.5800 4.5800 4.7909 4.7909 5.4387 5.4387 5.4529 5.4529 5.9341 5.9341 5.9452 5.9452 5.9506 5.9506 6.3310 6.3310 10.8444 10.8444 11.3352 11.3352 12.5880 12.5880 13.3813 13.3813 14.3238 14.3238 15.3763 15.3763 Writing output data file As2PbO6.save init_run : 0.25s CPU 0.37s WALL ( 1 calls) electrons : 251.26s CPU 254.86s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 251.25s CPU 254.85s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.00s WALL ( 1 calls) newd : 0.04s CPU 0.06s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.07s WALL ( 304 calls) cegterg : 232.42s CPU 235.33s WALL ( 380 calls) Called by sum_band: Called by *egterg: h_psi : 115.00s CPU 116.80s WALL ( 6940 calls) s_psi : 5.03s CPU 5.05s WALL ( 6940 calls) g_psi : 0.28s CPU 0.30s WALL ( 6256 calls) cdiaghg : 98.80s CPU 99.82s WALL ( 6560 calls) cegterg:over : 10.07s CPU 10.04s WALL ( 6256 calls) cegterg:upda : 8.69s CPU 8.96s WALL ( 6256 calls) cegterg:last : 4.31s CPU 4.28s WALL ( 1084 calls) cdiaghg:chol : 5.80s CPU 5.84s WALL ( 6560 calls) cdiaghg:inve : 4.28s CPU 4.28s WALL ( 6560 calls) cdiaghg:para : 7.45s CPU 7.73s WALL ( 13120 calls) Called by h_psi: h_psi:vloc : 100.67s CPU 102.48s WALL ( 6940 calls) h_psi:vnl : 13.98s CPU 14.00s WALL ( 6940 calls) add_vuspsi : 6.12s CPU 6.15s WALL ( 6940 calls) General routines calbec : 7.84s CPU 7.83s WALL ( 6940 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 94.76s CPU 96.28s WALL ( 1016952 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.19s CPU 0.27s WALL ( 608 calls) Parallel routines fft_scatter : 28.86s CPU 29.36s WALL ( 1016975 calls) PWSCF : 4m30.89s CPU 4m46.51s WALL This run was terminated on: 20:35:49 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=