Program PWSCF v.5.1.1 starts on 27Jul2015 at 14:11:44 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 32 processors R & G space division: proc/nbgrp/npool/nimage = 32 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: ./ZnTe.save/ file Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 5P renormalized file Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 37 24 6 2359 1232 188 Max 38 25 7 2369 1253 201 Sum 1189 769 223 75647 39809 6275 bravais-lattice index = 14 lattice parameter (alat) = 7.9180 a.u. unit-cell volume = 978.4112 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 54.00 number of Kohn-Sham states= 64 kinetic-energy cutoff = 45.0000 Ry charge density cutoff = 276.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.917952 celldm(2)= 1.000000 celldm(3)= 2.275895 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 2.275895 ) 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 0.439388 ) PseudoPot. # 1 for Te read from file: /home/autes/Pseudo/Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d7fe42880ce6991a805b4693d1f2335c 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 1245 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Zn read from file: /home/autes/Pseudo/Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 8d14e5a70806ad8c3d477ea097862760 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1201 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 Te 6.00 127.60000 Te( 1.00) Zn 12.00 65.40900 Zn( 1.00) 12 Sym. Ops. (no inversion) found ( 8 have fractional translation) 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 [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -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 = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 60 deg rotation - cryst. axis [0,0,1] cryst. s( 5) = ( 1 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.3333333 ) cart. s( 5) = ( 0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.7586317 ) isym = 6 60 deg rotation - cryst. axis [0,0,-1] cryst. s( 6) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.3333333 ) cart. s( 6) = ( 0.5000000 0.8660254 -0.0000000 ) f =( -0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.7586317 ) isym = 7 120 deg rotation - cryst. axis [0,0,1] cryst. s( 7) = ( 0 1 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.3333333 ) cart. s( 7) = ( -0.5000000 -0.8660254 0.0000000 ) f =( -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.7586317 ) isym = 8 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 8) = ( -1 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.3333333 ) cart. s( 8) = ( -0.5000000 0.8660254 0.0000000 ) f =( 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.7586317 ) isym = 9 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 9) = ( 0 -1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( -0.3333333 ) cart. s( 9) = ( 0.5000000 -0.8660254 -0.0000000 ) f =( -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -0.7586317 ) isym = 10 180 deg rotation - cryst. axis [2,1,0] cryst. s(10) = ( 1 1 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.3333333 ) cart. s(10) = ( 0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.7586317 ) isym = 11 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( -1 -1 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.3333333 ) cart. s(11) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.7586317 ) isym = 12 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( -0.3333333 ) cart. s(12) = ( -0.5000000 0.8660254 -0.0000000 ) f =( -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -0.7586317 ) double point group D_6 (622) there are 9 classes and 3 irreducible representations the character table: E -E C2 2C3 -2C3 2C6 -2C6 3C2' 3C2'' -C2 -3C2' -3C2' G_7 2.00 -2.00 0.00 1.00 -1.00 1.73 -1.73 0.00 0.00 G_8 2.00 -2.00 0.00 1.00 -1.00 -1.73 1.73 0.00 0.00 G_9 2.00 -2.00 0.00 -2.00 2.00 0.00 0.00 0.00 0.00 the symmetry operations in each class: E 1 C2 -C2 2 -2 3C2'-3C2' 3 -3 9 10 -10 -9 3C2''-3C2' 4 -4 12 -11 11 -12 2C6 5 6 2C3 7 8 -E -1 -2C6 -5 -6 -2C3 -7 -8 Cartesian axes number of k points= 298 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033557 k( 2) = ( 0.0113636 0.0065608 -0.0000000), wk = 0.0033557 k( 3) = ( 0.0227273 0.0131216 -0.0000000), wk = 0.0033557 k( 4) = ( 0.0340909 0.0196824 -0.0000000), wk = 0.0033557 k( 5) = ( 0.0454546 0.0262432 -0.0000000), wk = 0.0033557 k( 6) = ( 0.0568182 0.0328040 -0.0000000), wk = 0.0033557 k( 7) = ( 0.0681818 0.0393648 -0.0000000), wk = 0.0033557 k( 8) = ( 0.0795455 0.0459256 -0.0000000), wk = 0.0033557 k( 9) = ( 0.0909091 0.0524864 -0.0000000), wk = 0.0033557 k( 10) = ( 0.1022727 0.0590472 -0.0000000), wk = 0.0033557 k( 11) = ( 0.1136364 0.0656080 -0.0000000), wk = 0.0033557 k( 12) = ( 0.1250000 0.0721688 -0.0000000), wk = 0.0033557 k( 13) = ( 0.1363636 0.0787296 -0.0000000), wk = 0.0033557 k( 14) = ( 0.1477273 0.0852904 -0.0000000), wk = 0.0033557 k( 15) = ( 0.1590909 0.0918512 -0.0000000), wk = 0.0033557 k( 16) = ( 0.1704546 0.0984120 -0.0000000), wk = 0.0033557 k( 17) = ( 0.1818182 0.1049728 -0.0000000), wk = 0.0033557 k( 18) = ( 0.1931818 0.1115336 -0.0000000), wk = 0.0033557 k( 19) = ( 0.2045454 0.1180944 -0.0000000), wk = 0.0033557 k( 20) = ( 0.2159091 0.1246552 -0.0000000), wk = 0.0033557 k( 21) = ( 0.2272727 0.1312160 -0.0000000), wk = 0.0033557 k( 22) = ( 0.2386364 0.1377768 -0.0000000), wk = 0.0033557 k( 23) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0033557 k( 24) = ( 0.2613636 0.1508984 -0.0000000), wk = 0.0033557 k( 25) = ( 0.2727273 0.1574592 -0.0000000), wk = 0.0033557 k( 26) = ( 0.2840909 0.1640200 -0.0000000), wk = 0.0033557 k( 27) = ( 0.2954545 0.1705808 -0.0000000), wk = 0.0033557 k( 28) = ( 0.3068182 0.1771416 -0.0000000), wk = 0.0033557 k( 29) = ( 0.3181818 0.1837024 -0.0000000), wk = 0.0033557 k( 30) = ( 0.3295455 0.1902632 -0.0000000), wk = 0.0033557 k( 31) = ( 0.3409091 0.1968240 -0.0000000), wk = 0.0033557 k( 32) = ( 0.3522727 0.2033848 -0.0000000), wk = 0.0033557 k( 33) = ( 0.3636364 0.2099456 -0.0000000), wk = 0.0033557 k( 34) = ( 0.3750000 0.2165064 -0.0000000), wk = 0.0033557 k( 35) = ( 0.3863636 0.2230672 -0.0000000), wk = 0.0033557 k( 36) = ( 0.3977273 0.2296279 -0.0000000), wk = 0.0033557 k( 37) = ( 0.4090909 0.2361887 -0.0000000), wk = 0.0033557 k( 38) = ( 0.4204545 0.2427495 -0.0000000), wk = 0.0033557 k( 39) = ( 0.4318182 0.2493103 -0.0000000), wk = 0.0033557 k( 40) = ( 0.4431818 0.2558711 -0.0000000), wk = 0.0033557 k( 41) = ( 0.4545455 0.2624319 -0.0000000), wk = 0.0033557 k( 42) = ( 0.4659091 0.2689927 -0.0000000), wk = 0.0033557 k( 43) = ( 0.4772727 0.2755535 -0.0000000), wk = 0.0033557 k( 44) = ( 0.4886364 0.2821143 -0.0000000), wk = 0.0033557 k( 45) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033557 k( 46) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033557 k( 47) = ( 0.4933333 0.3002221 -0.0000000), wk = 0.0033557 k( 48) = ( 0.4866667 0.3117692 -0.0000000), wk = 0.0033557 k( 49) = ( 0.4800000 0.3233162 -0.0000000), wk = 0.0033557 k( 50) = ( 0.4733333 0.3348632 -0.0000000), wk = 0.0033557 k( 51) = ( 0.4666667 0.3464102 -0.0000000), wk = 0.0033557 k( 52) = ( 0.4600000 0.3579572 -0.0000000), wk = 0.0033557 k( 53) = ( 0.4533333 0.3695042 -0.0000000), wk = 0.0033557 k( 54) = ( 0.4466667 0.3810512 -0.0000000), wk = 0.0033557 k( 55) = ( 0.4400000 0.3925982 -0.0000000), wk = 0.0033557 k( 56) = ( 0.4333333 0.4041452 -0.0000000), wk = 0.0033557 k( 57) = ( 0.4266667 0.4156922 -0.0000000), wk = 0.0033557 k( 58) = ( 0.4200000 0.4272392 -0.0000000), wk = 0.0033557 k( 59) = ( 0.4133333 0.4387862 -0.0000000), wk = 0.0033557 k( 60) = ( 0.4066667 0.4503332 -0.0000000), wk = 0.0033557 k( 61) = ( 0.4000000 0.4618802 -0.0000000), wk = 0.0033557 k( 62) = ( 0.3933333 0.4734272 -0.0000000), wk = 0.0033557 k( 63) = ( 0.3866667 0.4849742 -0.0000000), wk = 0.0033557 k( 64) = ( 0.3800000 0.4965212 -0.0000000), wk = 0.0033557 k( 65) = ( 0.3733333 0.5080682 -0.0000000), wk = 0.0033557 k( 66) = ( 0.3666667 0.5196152 -0.0000000), wk = 0.0033557 k( 67) = ( 0.3600000 0.5311622 -0.0000000), wk = 0.0033557 k( 68) = ( 0.3533333 0.5427092 -0.0000000), wk = 0.0033557 k( 69) = ( 0.3466667 0.5542563 -0.0000000), wk = 0.0033557 k( 70) = ( 0.3400000 0.5658033 -0.0000000), wk = 0.0033557 k( 71) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033557 k( 72) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033557 k( 73) = ( 0.3266667 0.5658033 -0.0000000), wk = 0.0033557 k( 74) = ( 0.3200000 0.5542563 -0.0000000), wk = 0.0033557 k( 75) = ( 0.3133333 0.5427092 -0.0000000), wk = 0.0033557 k( 76) = ( 0.3066667 0.5311623 -0.0000000), wk = 0.0033557 k( 77) = ( 0.3000000 0.5196152 -0.0000000), wk = 0.0033557 k( 78) = ( 0.2933333 0.5080682 -0.0000000), wk = 0.0033557 k( 79) = ( 0.2866667 0.4965212 -0.0000000), wk = 0.0033557 k( 80) = ( 0.2800000 0.4849742 -0.0000000), wk = 0.0033557 k( 81) = ( 0.2733333 0.4734272 -0.0000000), wk = 0.0033557 k( 82) = ( 0.2666667 0.4618802 -0.0000000), wk = 0.0033557 k( 83) = ( 0.2600000 0.4503332 -0.0000000), wk = 0.0033557 k( 84) = ( 0.2533333 0.4387862 -0.0000000), wk = 0.0033557 k( 85) = ( 0.2466667 0.4272392 -0.0000000), wk = 0.0033557 k( 86) = ( 0.2400000 0.4156922 -0.0000000), wk = 0.0033557 k( 87) = ( 0.2333333 0.4041452 -0.0000000), wk = 0.0033557 k( 88) = ( 0.2266667 0.3925982 -0.0000000), wk = 0.0033557 k( 89) = ( 0.2200000 0.3810512 -0.0000000), wk = 0.0033557 k( 90) = ( 0.2133333 0.3695042 -0.0000000), wk = 0.0033557 k( 91) = ( 0.2066667 0.3579572 -0.0000000), wk = 0.0033557 k( 92) = ( 0.2000000 0.3464102 -0.0000000), wk = 0.0033557 k( 93) = ( 0.1933333 0.3348632 -0.0000000), wk = 0.0033557 k( 94) = ( 0.1866667 0.3233162 -0.0000000), wk = 0.0033557 k( 95) = ( 0.1800000 0.3117691 -0.0000000), wk = 0.0033557 k( 96) = ( 0.1733333 0.3002221 -0.0000000), wk = 0.0033557 k( 97) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0033557 k( 98) = ( 0.1600000 0.2771281 -0.0000000), wk = 0.0033557 k( 99) = ( 0.1533333 0.2655811 -0.0000000), wk = 0.0033557 k( 100) = ( 0.1466667 0.2540341 -0.0000000), wk = 0.0033557 k( 101) = ( 0.1400000 0.2424871 -0.0000000), wk = 0.0033557 k( 102) = ( 0.1333333 0.2309401 -0.0000000), wk = 0.0033557 k( 103) = ( 0.1266667 0.2193931 -0.0000000), wk = 0.0033557 k( 104) = ( 0.1200000 0.2078461 -0.0000000), wk = 0.0033557 k( 105) = ( 0.1133333 0.1962991 -0.0000000), wk = 0.0033557 k( 106) = ( 0.1066667 0.1847521 -0.0000000), wk = 0.0033557 k( 107) = ( 0.1000000 0.1732051 -0.0000000), wk = 0.0033557 k( 108) = ( 0.0933333 0.1616581 -0.0000000), wk = 0.0033557 k( 109) = ( 0.0866667 0.1501111 -0.0000000), wk = 0.0033557 k( 110) = ( 0.0800000 0.1385641 -0.0000000), wk = 0.0033557 k( 111) = ( 0.0733333 0.1270171 -0.0000000), wk = 0.0033557 k( 112) = ( 0.0666667 0.1154701 -0.0000000), wk = 0.0033557 k( 113) = ( 0.0600000 0.1039230 -0.0000000), wk = 0.0033557 k( 114) = ( 0.0533333 0.0923760 -0.0000000), wk = 0.0033557 k( 115) = ( 0.0466667 0.0808290 -0.0000000), wk = 0.0033557 k( 116) = ( 0.0400000 0.0692820 -0.0000000), wk = 0.0033557 k( 117) = ( 0.0333333 0.0577350 -0.0000000), wk = 0.0033557 k( 118) = ( 0.0266667 0.0461880 -0.0000000), wk = 0.0033557 k( 119) = ( 0.0200000 0.0346410 -0.0000000), wk = 0.0033557 k( 120) = ( 0.0133333 0.0230940 -0.0000000), wk = 0.0033557 k( 121) = ( 0.0066667 0.0115470 -0.0000000), wk = 0.0033557 k( 122) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033557 k( 123) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033557 k( 124) = ( 0.0000000 0.0000000 0.0129232), wk = 0.0033557 k( 125) = ( 0.0000000 0.0000000 0.0258463), wk = 0.0033557 k( 126) = ( 0.0000000 0.0000000 0.0387695), wk = 0.0033557 k( 127) = ( 0.0000000 0.0000000 0.0516927), wk = 0.0033557 k( 128) = ( 0.0000000 0.0000000 0.0646158), wk = 0.0033557 k( 129) = ( 0.0000000 0.0000000 0.0775390), wk = 0.0033557 k( 130) = ( 0.0000000 0.0000000 0.0904621), wk = 0.0033557 k( 131) = ( 0.0000000 0.0000000 0.1033853), wk = 0.0033557 k( 132) = ( 0.0000000 0.0000000 0.1163085), wk = 0.0033557 k( 133) = ( 0.0000000 0.0000000 0.1292316), wk = 0.0033557 k( 134) = ( 0.0000000 0.0000000 0.1421548), wk = 0.0033557 k( 135) = ( 0.0000000 0.0000000 0.1550780), wk = 0.0033557 k( 136) = ( 0.0000000 0.0000000 0.1680011), wk = 0.0033557 k( 137) = ( 0.0000000 0.0000000 0.1809243), wk = 0.0033557 k( 138) = ( 0.0000000 0.0000000 0.1938475), wk = 0.0033557 k( 139) = ( 0.0000000 0.0000000 0.2067706), wk = 0.0033557 k( 140) = ( 0.0000000 0.0000000 0.2196938), wk = 0.0033557 k( 141) = ( 0.0000000 0.0000000 0.2196938), wk = 0.0033557 k( 142) = ( 0.0113636 0.0065608 0.2196938), wk = 0.0033557 k( 143) = ( 0.0227273 0.0131216 0.2196938), wk = 0.0033557 k( 144) = ( 0.0340909 0.0196824 0.2196938), wk = 0.0033557 k( 145) = ( 0.0454546 0.0262432 0.2196938), wk = 0.0033557 k( 146) = ( 0.0568182 0.0328040 0.2196938), wk = 0.0033557 k( 147) = ( 0.0681818 0.0393648 0.2196938), wk = 0.0033557 k( 148) = ( 0.0795455 0.0459256 0.2196938), wk = 0.0033557 k( 149) = ( 0.0909091 0.0524864 0.2196938), wk = 0.0033557 k( 150) = ( 0.1022727 0.0590472 0.2196938), wk = 0.0033557 k( 151) = ( 0.1136364 0.0656080 0.2196938), wk = 0.0033557 k( 152) = ( 0.1250000 0.0721688 0.2196938), wk = 0.0033557 k( 153) = ( 0.1363636 0.0787296 0.2196938), wk = 0.0033557 k( 154) = ( 0.1477273 0.0852904 0.2196938), wk = 0.0033557 k( 155) = ( 0.1590909 0.0918512 0.2196938), wk = 0.0033557 k( 156) = ( 0.1704546 0.0984120 0.2196938), wk = 0.0033557 k( 157) = ( 0.1818182 0.1049728 0.2196938), wk = 0.0033557 k( 158) = ( 0.1931818 0.1115336 0.2196938), wk = 0.0033557 k( 159) = ( 0.2045454 0.1180944 0.2196938), wk = 0.0033557 k( 160) = ( 0.2159091 0.1246552 0.2196938), wk = 0.0033557 k( 161) = ( 0.2272727 0.1312160 0.2196938), wk = 0.0033557 k( 162) = ( 0.2386364 0.1377768 0.2196938), wk = 0.0033557 k( 163) = ( 0.2500000 0.1443376 0.2196938), wk = 0.0033557 k( 164) = ( 0.2613636 0.1508984 0.2196938), wk = 0.0033557 k( 165) = ( 0.2727273 0.1574592 0.2196938), wk = 0.0033557 k( 166) = ( 0.2840909 0.1640200 0.2196938), wk = 0.0033557 k( 167) = ( 0.2954545 0.1705808 0.2196938), wk = 0.0033557 k( 168) = ( 0.3068182 0.1771416 0.2196938), wk = 0.0033557 k( 169) = ( 0.3181818 0.1837024 0.2196938), wk = 0.0033557 k( 170) = ( 0.3295455 0.1902632 0.2196938), wk = 0.0033557 k( 171) = ( 0.3409091 0.1968240 0.2196938), wk = 0.0033557 k( 172) = ( 0.3522727 0.2033848 0.2196938), wk = 0.0033557 k( 173) = ( 0.3636364 0.2099456 0.2196938), wk = 0.0033557 k( 174) = ( 0.3750000 0.2165064 0.2196938), wk = 0.0033557 k( 175) = ( 0.3863636 0.2230672 0.2196938), wk = 0.0033557 k( 176) = ( 0.3977273 0.2296279 0.2196938), wk = 0.0033557 k( 177) = ( 0.4090909 0.2361887 0.2196938), wk = 0.0033557 k( 178) = ( 0.4204545 0.2427495 0.2196938), wk = 0.0033557 k( 179) = ( 0.4318182 0.2493103 0.2196938), wk = 0.0033557 k( 180) = ( 0.4431818 0.2558711 0.2196938), wk = 0.0033557 k( 181) = ( 0.4545455 0.2624319 0.2196938), wk = 0.0033557 k( 182) = ( 0.4659091 0.2689927 0.2196938), wk = 0.0033557 k( 183) = ( 0.4772727 0.2755535 0.2196938), wk = 0.0033557 k( 184) = ( 0.4886364 0.2821143 0.2196938), wk = 0.0033557 k( 185) = ( 0.5000000 0.2886751 0.2196938), wk = 0.0033557 k( 186) = ( 0.5000000 0.2886751 0.2196938), wk = 0.0033557 k( 187) = ( 0.4933333 0.3002221 0.2196938), wk = 0.0033557 k( 188) = ( 0.4866667 0.3117692 0.2196938), wk = 0.0033557 k( 189) = ( 0.4800000 0.3233162 0.2196938), wk = 0.0033557 k( 190) = ( 0.4733333 0.3348632 0.2196938), wk = 0.0033557 k( 191) = ( 0.4666667 0.3464102 0.2196938), wk = 0.0033557 k( 192) = ( 0.4600000 0.3579572 0.2196938), wk = 0.0033557 k( 193) = ( 0.4533333 0.3695042 0.2196938), wk = 0.0033557 k( 194) = ( 0.4466667 0.3810512 0.2196938), wk = 0.0033557 k( 195) = ( 0.4400000 0.3925982 0.2196938), wk = 0.0033557 k( 196) = ( 0.4333333 0.4041452 0.2196938), wk = 0.0033557 k( 197) = ( 0.4266667 0.4156922 0.2196938), wk = 0.0033557 k( 198) = ( 0.4200000 0.4272392 0.2196938), wk = 0.0033557 k( 199) = ( 0.4133333 0.4387862 0.2196938), wk = 0.0033557 k( 200) = ( 0.4066667 0.4503332 0.2196938), wk = 0.0033557 k( 201) = ( 0.4000000 0.4618802 0.2196938), wk = 0.0033557 k( 202) = ( 0.3933333 0.4734272 0.2196938), wk = 0.0033557 k( 203) = ( 0.3866667 0.4849742 0.2196938), wk = 0.0033557 k( 204) = ( 0.3800000 0.4965212 0.2196938), wk = 0.0033557 k( 205) = ( 0.3733333 0.5080682 0.2196938), wk = 0.0033557 k( 206) = ( 0.3666667 0.5196152 0.2196938), wk = 0.0033557 k( 207) = ( 0.3600000 0.5311622 0.2196938), wk = 0.0033557 k( 208) = ( 0.3533333 0.5427092 0.2196938), wk = 0.0033557 k( 209) = ( 0.3466667 0.5542563 0.2196938), wk = 0.0033557 k( 210) = ( 0.3400000 0.5658033 0.2196938), wk = 0.0033557 k( 211) = ( 0.3333333 0.5773503 0.2196938), wk = 0.0033557 k( 212) = ( 0.3333333 0.5773503 0.2196938), wk = 0.0033557 k( 213) = ( 0.3266667 0.5658033 0.2196938), wk = 0.0033557 k( 214) = ( 0.3200000 0.5542563 0.2196938), wk = 0.0033557 k( 215) = ( 0.3133333 0.5427092 0.2196938), wk = 0.0033557 k( 216) = ( 0.3066667 0.5311623 0.2196938), wk = 0.0033557 k( 217) = ( 0.3000000 0.5196152 0.2196938), wk = 0.0033557 k( 218) = ( 0.2933333 0.5080682 0.2196938), wk = 0.0033557 k( 219) = ( 0.2866667 0.4965212 0.2196938), wk = 0.0033557 k( 220) = ( 0.2800000 0.4849742 0.2196938), wk = 0.0033557 k( 221) = ( 0.2733333 0.4734272 0.2196938), wk = 0.0033557 k( 222) = ( 0.2666667 0.4618802 0.2196938), wk = 0.0033557 k( 223) = ( 0.2600000 0.4503332 0.2196938), wk = 0.0033557 k( 224) = ( 0.2533333 0.4387862 0.2196938), wk = 0.0033557 k( 225) = ( 0.2466667 0.4272392 0.2196938), wk = 0.0033557 k( 226) = ( 0.2400000 0.4156922 0.2196938), wk = 0.0033557 k( 227) = ( 0.2333333 0.4041452 0.2196938), wk = 0.0033557 k( 228) = ( 0.2266667 0.3925982 0.2196938), wk = 0.0033557 k( 229) = ( 0.2200000 0.3810512 0.2196938), wk = 0.0033557 k( 230) = ( 0.2133333 0.3695042 0.2196938), wk = 0.0033557 k( 231) = ( 0.2066667 0.3579572 0.2196938), wk = 0.0033557 k( 232) = ( 0.2000000 0.3464102 0.2196938), wk = 0.0033557 k( 233) = ( 0.1933333 0.3348632 0.2196938), wk = 0.0033557 k( 234) = ( 0.1866667 0.3233162 0.2196938), wk = 0.0033557 k( 235) = ( 0.1800000 0.3117691 0.2196938), wk = 0.0033557 k( 236) = ( 0.1733333 0.3002221 0.2196938), wk = 0.0033557 k( 237) = ( 0.1666667 0.2886751 0.2196938), wk = 0.0033557 k( 238) = ( 0.1600000 0.2771281 0.2196938), wk = 0.0033557 k( 239) = ( 0.1533333 0.2655811 0.2196938), wk = 0.0033557 k( 240) = ( 0.1466667 0.2540341 0.2196938), wk = 0.0033557 k( 241) = ( 0.1400000 0.2424871 0.2196938), wk = 0.0033557 k( 242) = ( 0.1333333 0.2309401 0.2196938), wk = 0.0033557 k( 243) = ( 0.1266667 0.2193931 0.2196938), wk = 0.0033557 k( 244) = ( 0.1200000 0.2078461 0.2196938), wk = 0.0033557 k( 245) = ( 0.1133333 0.1962991 0.2196938), wk = 0.0033557 k( 246) = ( 0.1066667 0.1847521 0.2196938), wk = 0.0033557 k( 247) = ( 0.1000000 0.1732051 0.2196938), wk = 0.0033557 k( 248) = ( 0.0933333 0.1616581 0.2196938), wk = 0.0033557 k( 249) = ( 0.0866667 0.1501111 0.2196938), wk = 0.0033557 k( 250) = ( 0.0800000 0.1385641 0.2196938), wk = 0.0033557 k( 251) = ( 0.0733333 0.1270171 0.2196938), wk = 0.0033557 k( 252) = ( 0.0666667 0.1154701 0.2196938), wk = 0.0033557 k( 253) = ( 0.0600000 0.1039230 0.2196938), wk = 0.0033557 k( 254) = ( 0.0533333 0.0923760 0.2196938), wk = 0.0033557 k( 255) = ( 0.0466667 0.0808290 0.2196938), wk = 0.0033557 k( 256) = ( 0.0400000 0.0692820 0.2196938), wk = 0.0033557 k( 257) = ( 0.0333333 0.0577350 0.2196938), wk = 0.0033557 k( 258) = ( 0.0266667 0.0461880 0.2196938), wk = 0.0033557 k( 259) = ( 0.0200000 0.0346410 0.2196938), wk = 0.0033557 k( 260) = ( 0.0133333 0.0230940 0.2196938), wk = 0.0033557 k( 261) = ( 0.0066667 0.0115470 0.2196938), wk = 0.0033557 k( 262) = ( 0.0000000 0.0000000 0.2196938), wk = 0.0033557 k( 263) = ( 0.5000000 0.2886751 0.2196938), wk = 0.0033557 k( 264) = ( 0.5000000 0.2886751 0.2067706), wk = 0.0033557 k( 265) = ( 0.5000000 0.2886751 0.1938475), wk = 0.0033557 k( 266) = ( 0.5000000 0.2886751 0.1809243), wk = 0.0033557 k( 267) = ( 0.5000000 0.2886751 0.1680011), wk = 0.0033557 k( 268) = ( 0.5000000 0.2886751 0.1550780), wk = 0.0033557 k( 269) = ( 0.5000000 0.2886751 0.1421548), wk = 0.0033557 k( 270) = ( 0.5000000 0.2886751 0.1292316), wk = 0.0033557 k( 271) = ( 0.5000000 0.2886751 0.1163085), wk = 0.0033557 k( 272) = ( 0.5000000 0.2886751 0.1033853), wk = 0.0033557 k( 273) = ( 0.5000000 0.2886751 0.0904621), wk = 0.0033557 k( 274) = ( 0.5000000 0.2886751 0.0775390), wk = 0.0033557 k( 275) = ( 0.5000000 0.2886751 0.0646158), wk = 0.0033557 k( 276) = ( 0.5000000 0.2886751 0.0516927), wk = 0.0033557 k( 277) = ( 0.5000000 0.2886751 0.0387695), wk = 0.0033557 k( 278) = ( 0.5000000 0.2886751 0.0258463), wk = 0.0033557 k( 279) = ( 0.5000000 0.2886751 0.0129232), wk = 0.0033557 k( 280) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033557 k( 281) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033557 k( 282) = ( 0.3333333 0.5773503 0.0129232), wk = 0.0033557 k( 283) = ( 0.3333333 0.5773503 0.0258463), wk = 0.0033557 k( 284) = ( 0.3333333 0.5773503 0.0387695), wk = 0.0033557 k( 285) = ( 0.3333333 0.5773503 0.0516927), wk = 0.0033557 k( 286) = ( 0.3333333 0.5773503 0.0646158), wk = 0.0033557 k( 287) = ( 0.3333333 0.5773503 0.0775390), wk = 0.0033557 k( 288) = ( 0.3333333 0.5773503 0.0904621), wk = 0.0033557 k( 289) = ( 0.3333333 0.5773503 0.1033853), wk = 0.0033557 k( 290) = ( 0.3333333 0.5773503 0.1163085), wk = 0.0033557 k( 291) = ( 0.3333333 0.5773503 0.1292316), wk = 0.0033557 k( 292) = ( 0.3333333 0.5773503 0.1421548), wk = 0.0033557 k( 293) = ( 0.3333333 0.5773503 0.1550780), wk = 0.0033557 k( 294) = ( 0.3333333 0.5773503 0.1680011), wk = 0.0033557 k( 295) = ( 0.3333333 0.5773503 0.1809243), wk = 0.0033557 k( 296) = ( 0.3333333 0.5773503 0.1938475), wk = 0.0033557 k( 297) = ( 0.3333333 0.5773503 0.2067706), wk = 0.0033557 k( 298) = ( 0.3333333 0.5773503 0.2196938), wk = 0.0033557 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033557 k( 2) = ( 0.0113636 0.0000000 0.0000000), wk = 0.0033557 k( 3) = ( 0.0227273 0.0000000 0.0000000), wk = 0.0033557 k( 4) = ( 0.0340909 0.0000000 0.0000000), wk = 0.0033557 k( 5) = ( 0.0454546 -0.0000000 -0.0000000), wk = 0.0033557 k( 6) = ( 0.0568182 -0.0000000 0.0000000), wk = 0.0033557 k( 7) = ( 0.0681818 0.0000000 0.0000000), wk = 0.0033557 k( 8) = ( 0.0795455 -0.0000000 0.0000000), wk = 0.0033557 k( 9) = ( 0.0909091 0.0000000 0.0000000), wk = 0.0033557 k( 10) = ( 0.1022727 0.0000000 0.0000000), wk = 0.0033557 k( 11) = ( 0.1136364 -0.0000000 0.0000000), wk = 0.0033557 k( 12) = ( 0.1250000 -0.0000000 0.0000000), wk = 0.0033557 k( 13) = ( 0.1363636 0.0000000 0.0000000), wk = 0.0033557 k( 14) = ( 0.1477273 0.0000000 0.0000000), wk = 0.0033557 k( 15) = ( 0.1590909 -0.0000000 0.0000000), wk = 0.0033557 k( 16) = ( 0.1704546 -0.0000000 0.0000000), wk = 0.0033557 k( 17) = ( 0.1818182 0.0000000 0.0000000), wk = 0.0033557 k( 18) = ( 0.1931818 0.0000000 0.0000000), wk = 0.0033557 k( 19) = ( 0.2045454 0.0000000 0.0000000), wk = 0.0033557 k( 20) = ( 0.2159091 -0.0000000 0.0000000), wk = 0.0033557 k( 21) = ( 0.2272727 0.0000000 0.0000000), wk = 0.0033557 k( 22) = ( 0.2386364 -0.0000000 -0.0000000), wk = 0.0033557 k( 23) = ( 0.2500000 -0.0000000 0.0000000), wk = 0.0033557 k( 24) = ( 0.2613636 0.0000000 0.0000000), wk = 0.0033557 k( 25) = ( 0.2727273 0.0000000 0.0000000), wk = 0.0033557 k( 26) = ( 0.2840909 0.0000000 0.0000000), wk = 0.0033557 k( 27) = ( 0.2954545 0.0000000 0.0000000), wk = 0.0033557 k( 28) = ( 0.3068182 0.0000000 0.0000000), wk = 0.0033557 k( 29) = ( 0.3181818 -0.0000000 0.0000000), wk = 0.0033557 k( 30) = ( 0.3295455 -0.0000000 0.0000000), wk = 0.0033557 k( 31) = ( 0.3409091 -0.0000000 0.0000000), wk = 0.0033557 k( 32) = ( 0.3522727 0.0000000 -0.0000000), wk = 0.0033557 k( 33) = ( 0.3636364 0.0000000 0.0000000), wk = 0.0033557 k( 34) = ( 0.3750000 0.0000000 0.0000000), wk = 0.0033557 k( 35) = ( 0.3863636 0.0000000 0.0000000), wk = 0.0033557 k( 36) = ( 0.3977273 0.0000000 0.0000000), wk = 0.0033557 k( 37) = ( 0.4090909 -0.0000000 0.0000000), wk = 0.0033557 k( 38) = ( 0.4204545 0.0000000 0.0000000), wk = 0.0033557 k( 39) = ( 0.4318182 -0.0000000 0.0000000), wk = 0.0033557 k( 40) = ( 0.4431818 0.0000000 0.0000000), wk = 0.0033557 k( 41) = ( 0.4545455 0.0000000 0.0000000), wk = 0.0033557 k( 42) = ( 0.4659091 0.0000000 0.0000000), wk = 0.0033557 k( 43) = ( 0.4772727 0.0000000 0.0000000), wk = 0.0033557 k( 44) = ( 0.4886364 0.0000000 0.0000000), wk = 0.0033557 k( 45) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0033557 k( 46) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0033557 k( 47) = ( 0.4933333 0.0133333 0.0000000), wk = 0.0033557 k( 48) = ( 0.4866667 0.0266667 -0.0000000), wk = 0.0033557 k( 49) = ( 0.4800000 0.0400000 0.0000000), wk = 0.0033557 k( 50) = ( 0.4733333 0.0533333 0.0000000), wk = 0.0033557 k( 51) = ( 0.4666667 0.0666667 0.0000000), wk = 0.0033557 k( 52) = ( 0.4600000 0.0800000 0.0000000), wk = 0.0033557 k( 53) = ( 0.4533333 0.0933333 0.0000000), wk = 0.0033557 k( 54) = ( 0.4466667 0.1066667 0.0000000), wk = 0.0033557 k( 55) = ( 0.4400000 0.1200000 0.0000000), wk = 0.0033557 k( 56) = ( 0.4333333 0.1333333 -0.0000000), wk = 0.0033557 k( 57) = ( 0.4266667 0.1466667 0.0000000), wk = 0.0033557 k( 58) = ( 0.4200000 0.1600000 0.0000000), wk = 0.0033557 k( 59) = ( 0.4133333 0.1733333 -0.0000000), wk = 0.0033557 k( 60) = ( 0.4066667 0.1866667 0.0000000), wk = 0.0033557 k( 61) = ( 0.4000000 0.2000000 0.0000000), wk = 0.0033557 k( 62) = ( 0.3933333 0.2133333 0.0000000), wk = 0.0033557 k( 63) = ( 0.3866667 0.2266667 0.0000000), wk = 0.0033557 k( 64) = ( 0.3800000 0.2400000 0.0000000), wk = 0.0033557 k( 65) = ( 0.3733333 0.2533333 0.0000000), wk = 0.0033557 k( 66) = ( 0.3666667 0.2666667 0.0000000), wk = 0.0033557 k( 67) = ( 0.3600000 0.2800000 -0.0000000), wk = 0.0033557 k( 68) = ( 0.3533333 0.2933333 0.0000000), wk = 0.0033557 k( 69) = ( 0.3466667 0.3066667 0.0000000), wk = 0.0033557 k( 70) = ( 0.3400000 0.3200000 -0.0000000), wk = 0.0033557 k( 71) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0033557 k( 72) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0033557 k( 73) = ( 0.3266667 0.3266667 0.0000000), wk = 0.0033557 k( 74) = ( 0.3200000 0.3200000 0.0000000), wk = 0.0033557 k( 75) = ( 0.3133333 0.3133333 0.0000000), wk = 0.0033557 k( 76) = ( 0.3066667 0.3066667 0.0000000), wk = 0.0033557 k( 77) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0033557 k( 78) = ( 0.2933333 0.2933333 0.0000000), wk = 0.0033557 k( 79) = ( 0.2866667 0.2866667 0.0000000), wk = 0.0033557 k( 80) = ( 0.2800000 0.2800000 -0.0000000), wk = 0.0033557 k( 81) = ( 0.2733333 0.2733333 0.0000000), wk = 0.0033557 k( 82) = ( 0.2666667 0.2666667 0.0000000), wk = 0.0033557 k( 83) = ( 0.2600000 0.2600000 -0.0000000), wk = 0.0033557 k( 84) = ( 0.2533333 0.2533333 0.0000000), wk = 0.0033557 k( 85) = ( 0.2466667 0.2466667 0.0000000), wk = 0.0033557 k( 86) = ( 0.2400000 0.2400000 0.0000000), wk = 0.0033557 k( 87) = ( 0.2333333 0.2333333 -0.0000000), wk = 0.0033557 k( 88) = ( 0.2266667 0.2266667 0.0000000), wk = 0.0033557 k( 89) = ( 0.2200000 0.2200000 0.0000000), wk = 0.0033557 k( 90) = ( 0.2133333 0.2133333 0.0000000), wk = 0.0033557 k( 91) = ( 0.2066667 0.2066667 0.0000000), wk = 0.0033557 k( 92) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0033557 k( 93) = ( 0.1933333 0.1933333 0.0000000), wk = 0.0033557 k( 94) = ( 0.1866667 0.1866667 -0.0000000), wk = 0.0033557 k( 95) = ( 0.1800000 0.1800000 0.0000000), wk = 0.0033557 k( 96) = ( 0.1733333 0.1733333 0.0000000), wk = 0.0033557 k( 97) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0033557 k( 98) = ( 0.1600000 0.1600000 0.0000000), wk = 0.0033557 k( 99) = ( 0.1533333 0.1533333 0.0000000), wk = 0.0033557 k( 100) = ( 0.1466667 0.1466667 0.0000000), wk = 0.0033557 k( 101) = ( 0.1400000 0.1400000 -0.0000000), wk = 0.0033557 k( 102) = ( 0.1333333 0.1333333 -0.0000000), wk = 0.0033557 k( 103) = ( 0.1266667 0.1266667 -0.0000000), wk = 0.0033557 k( 104) = ( 0.1200000 0.1200000 0.0000000), wk = 0.0033557 k( 105) = ( 0.1133333 0.1133333 -0.0000000), wk = 0.0033557 k( 106) = ( 0.1066667 0.1066667 0.0000000), wk = 0.0033557 k( 107) = ( 0.1000000 0.1000000 0.0000000), wk = 0.0033557 k( 108) = ( 0.0933333 0.0933333 0.0000000), wk = 0.0033557 k( 109) = ( 0.0866667 0.0866667 0.0000000), wk = 0.0033557 k( 110) = ( 0.0800000 0.0800000 0.0000000), wk = 0.0033557 k( 111) = ( 0.0733333 0.0733333 0.0000000), wk = 0.0033557 k( 112) = ( 0.0666667 0.0666667 0.0000000), wk = 0.0033557 k( 113) = ( 0.0600000 0.0600000 0.0000000), wk = 0.0033557 k( 114) = ( 0.0533333 0.0533333 0.0000000), wk = 0.0033557 k( 115) = ( 0.0466667 0.0466667 0.0000000), wk = 0.0033557 k( 116) = ( 0.0400000 0.0400000 0.0000000), wk = 0.0033557 k( 117) = ( 0.0333333 0.0333333 0.0000000), wk = 0.0033557 k( 118) = ( 0.0266667 0.0266667 0.0000000), wk = 0.0033557 k( 119) = ( 0.0200000 0.0200000 0.0000000), wk = 0.0033557 k( 120) = ( 0.0133333 0.0133333 0.0000000), wk = 0.0033557 k( 121) = ( 0.0066667 0.0066667 0.0000000), wk = 0.0033557 k( 122) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033557 k( 123) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033557 k( 124) = ( 0.0000000 0.0000000 0.0294118), wk = 0.0033557 k( 125) = ( 0.0000000 0.0000000 0.0588235), wk = 0.0033557 k( 126) = ( 0.0000000 0.0000000 0.0882353), wk = 0.0033557 k( 127) = ( 0.0000000 0.0000000 0.1176471), wk = 0.0033557 k( 128) = ( 0.0000000 0.0000000 0.1470588), wk = 0.0033557 k( 129) = ( 0.0000000 0.0000000 0.1764706), wk = 0.0033557 k( 130) = ( 0.0000000 0.0000000 0.2058823), wk = 0.0033557 k( 131) = ( 0.0000000 0.0000000 0.2352941), wk = 0.0033557 k( 132) = ( 0.0000000 0.0000000 0.2647059), wk = 0.0033557 k( 133) = ( 0.0000000 0.0000000 0.2941177), wk = 0.0033557 k( 134) = ( 0.0000000 0.0000000 0.3235294), wk = 0.0033557 k( 135) = ( 0.0000000 0.0000000 0.3529412), wk = 0.0033557 k( 136) = ( 0.0000000 0.0000000 0.3823529), wk = 0.0033557 k( 137) = ( 0.0000000 0.0000000 0.4117647), wk = 0.0033557 k( 138) = ( 0.0000000 0.0000000 0.4411765), wk = 0.0033557 k( 139) = ( 0.0000000 0.0000000 0.4705882), wk = 0.0033557 k( 140) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033557 k( 141) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033557 k( 142) = ( 0.0113636 0.0000000 0.5000000), wk = 0.0033557 k( 143) = ( 0.0227273 0.0000000 0.5000000), wk = 0.0033557 k( 144) = ( 0.0340909 0.0000000 0.5000000), wk = 0.0033557 k( 145) = ( 0.0454546 -0.0000000 0.5000000), wk = 0.0033557 k( 146) = ( 0.0568182 -0.0000000 0.5000000), wk = 0.0033557 k( 147) = ( 0.0681818 0.0000000 0.5000000), wk = 0.0033557 k( 148) = ( 0.0795455 -0.0000000 0.5000000), wk = 0.0033557 k( 149) = ( 0.0909091 0.0000000 0.5000000), wk = 0.0033557 k( 150) = ( 0.1022727 0.0000000 0.5000000), wk = 0.0033557 k( 151) = ( 0.1136364 -0.0000000 0.5000000), wk = 0.0033557 k( 152) = ( 0.1250000 -0.0000000 0.5000000), wk = 0.0033557 k( 153) = ( 0.1363636 0.0000000 0.5000000), wk = 0.0033557 k( 154) = ( 0.1477273 0.0000000 0.5000000), wk = 0.0033557 k( 155) = ( 0.1590909 -0.0000000 0.5000000), wk = 0.0033557 k( 156) = ( 0.1704546 -0.0000000 0.5000000), wk = 0.0033557 k( 157) = ( 0.1818182 0.0000000 0.5000000), wk = 0.0033557 k( 158) = ( 0.1931818 0.0000000 0.5000000), wk = 0.0033557 k( 159) = ( 0.2045454 0.0000000 0.5000000), wk = 0.0033557 k( 160) = ( 0.2159091 -0.0000000 0.5000000), wk = 0.0033557 k( 161) = ( 0.2272727 0.0000000 0.5000000), wk = 0.0033557 k( 162) = ( 0.2386364 -0.0000000 0.5000000), wk = 0.0033557 k( 163) = ( 0.2500000 -0.0000000 0.5000000), wk = 0.0033557 k( 164) = ( 0.2613636 0.0000000 0.5000000), wk = 0.0033557 k( 165) = ( 0.2727273 0.0000000 0.5000000), wk = 0.0033557 k( 166) = ( 0.2840909 0.0000000 0.5000000), wk = 0.0033557 k( 167) = ( 0.2954545 0.0000000 0.5000000), wk = 0.0033557 k( 168) = ( 0.3068182 0.0000000 0.5000000), wk = 0.0033557 k( 169) = ( 0.3181818 -0.0000000 0.5000000), wk = 0.0033557 k( 170) = ( 0.3295455 -0.0000000 0.5000000), wk = 0.0033557 k( 171) = ( 0.3409091 -0.0000000 0.5000000), wk = 0.0033557 k( 172) = ( 0.3522727 0.0000000 0.5000000), wk = 0.0033557 k( 173) = ( 0.3636364 0.0000000 0.5000000), wk = 0.0033557 k( 174) = ( 0.3750000 0.0000000 0.5000000), wk = 0.0033557 k( 175) = ( 0.3863636 0.0000000 0.5000000), wk = 0.0033557 k( 176) = ( 0.3977273 0.0000000 0.5000000), wk = 0.0033557 k( 177) = ( 0.4090909 -0.0000000 0.5000000), wk = 0.0033557 k( 178) = ( 0.4204545 0.0000000 0.5000000), wk = 0.0033557 k( 179) = ( 0.4318182 -0.0000000 0.5000000), wk = 0.0033557 k( 180) = ( 0.4431818 0.0000000 0.5000000), wk = 0.0033557 k( 181) = ( 0.4545455 0.0000000 0.5000000), wk = 0.0033557 k( 182) = ( 0.4659091 0.0000000 0.5000000), wk = 0.0033557 k( 183) = ( 0.4772727 0.0000000 0.5000000), wk = 0.0033557 k( 184) = ( 0.4886364 0.0000000 0.5000000), wk = 0.0033557 k( 185) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0033557 k( 186) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0033557 k( 187) = ( 0.4933333 0.0133333 0.5000000), wk = 0.0033557 k( 188) = ( 0.4866667 0.0266667 0.5000000), wk = 0.0033557 k( 189) = ( 0.4800000 0.0400000 0.5000000), wk = 0.0033557 k( 190) = ( 0.4733333 0.0533333 0.5000000), wk = 0.0033557 k( 191) = ( 0.4666667 0.0666667 0.5000000), wk = 0.0033557 k( 192) = ( 0.4600000 0.0800000 0.5000000), wk = 0.0033557 k( 193) = ( 0.4533333 0.0933333 0.5000000), wk = 0.0033557 k( 194) = ( 0.4466667 0.1066667 0.5000000), wk = 0.0033557 k( 195) = ( 0.4400000 0.1200000 0.5000000), wk = 0.0033557 k( 196) = ( 0.4333333 0.1333333 0.5000000), wk = 0.0033557 k( 197) = ( 0.4266667 0.1466667 0.5000000), wk = 0.0033557 k( 198) = ( 0.4200000 0.1600000 0.5000000), wk = 0.0033557 k( 199) = ( 0.4133333 0.1733333 0.5000000), wk = 0.0033557 k( 200) = ( 0.4066667 0.1866667 0.5000000), wk = 0.0033557 k( 201) = ( 0.4000000 0.2000000 0.5000000), wk = 0.0033557 k( 202) = ( 0.3933333 0.2133333 0.5000000), wk = 0.0033557 k( 203) = ( 0.3866667 0.2266667 0.5000000), wk = 0.0033557 k( 204) = ( 0.3800000 0.2400000 0.5000000), wk = 0.0033557 k( 205) = ( 0.3733333 0.2533333 0.5000000), wk = 0.0033557 k( 206) = ( 0.3666667 0.2666667 0.5000000), wk = 0.0033557 k( 207) = ( 0.3600000 0.2800000 0.5000000), wk = 0.0033557 k( 208) = ( 0.3533333 0.2933333 0.5000000), wk = 0.0033557 k( 209) = ( 0.3466667 0.3066667 0.5000000), wk = 0.0033557 k( 210) = ( 0.3400000 0.3200000 0.5000000), wk = 0.0033557 k( 211) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033557 k( 212) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033557 k( 213) = ( 0.3266667 0.3266667 0.5000000), wk = 0.0033557 k( 214) = ( 0.3200000 0.3200000 0.5000000), wk = 0.0033557 k( 215) = ( 0.3133333 0.3133333 0.5000000), wk = 0.0033557 k( 216) = ( 0.3066667 0.3066667 0.5000000), wk = 0.0033557 k( 217) = ( 0.3000000 0.3000000 0.5000000), wk = 0.0033557 k( 218) = ( 0.2933333 0.2933333 0.5000000), wk = 0.0033557 k( 219) = ( 0.2866667 0.2866667 0.5000000), wk = 0.0033557 k( 220) = ( 0.2800000 0.2800000 0.5000000), wk = 0.0033557 k( 221) = ( 0.2733333 0.2733333 0.5000000), wk = 0.0033557 k( 222) = ( 0.2666667 0.2666667 0.5000000), wk = 0.0033557 k( 223) = ( 0.2600000 0.2600000 0.5000000), wk = 0.0033557 k( 224) = ( 0.2533333 0.2533333 0.5000000), wk = 0.0033557 k( 225) = ( 0.2466667 0.2466667 0.5000000), wk = 0.0033557 k( 226) = ( 0.2400000 0.2400000 0.5000000), wk = 0.0033557 k( 227) = ( 0.2333333 0.2333333 0.5000000), wk = 0.0033557 k( 228) = ( 0.2266667 0.2266667 0.5000000), wk = 0.0033557 k( 229) = ( 0.2200000 0.2200000 0.5000000), wk = 0.0033557 k( 230) = ( 0.2133333 0.2133333 0.5000000), wk = 0.0033557 k( 231) = ( 0.2066667 0.2066667 0.5000000), wk = 0.0033557 k( 232) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0033557 k( 233) = ( 0.1933333 0.1933333 0.5000000), wk = 0.0033557 k( 234) = ( 0.1866667 0.1866667 0.5000000), wk = 0.0033557 k( 235) = ( 0.1800000 0.1800000 0.5000000), wk = 0.0033557 k( 236) = ( 0.1733333 0.1733333 0.5000000), wk = 0.0033557 k( 237) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0033557 k( 238) = ( 0.1600000 0.1600000 0.5000000), wk = 0.0033557 k( 239) = ( 0.1533333 0.1533333 0.5000000), wk = 0.0033557 k( 240) = ( 0.1466667 0.1466667 0.5000000), wk = 0.0033557 k( 241) = ( 0.1400000 0.1400000 0.5000000), wk = 0.0033557 k( 242) = ( 0.1333333 0.1333333 0.5000000), wk = 0.0033557 k( 243) = ( 0.1266667 0.1266667 0.5000000), wk = 0.0033557 k( 244) = ( 0.1200000 0.1200000 0.5000000), wk = 0.0033557 k( 245) = ( 0.1133333 0.1133333 0.5000000), wk = 0.0033557 k( 246) = ( 0.1066667 0.1066667 0.5000000), wk = 0.0033557 k( 247) = ( 0.1000000 0.1000000 0.5000000), wk = 0.0033557 k( 248) = ( 0.0933333 0.0933333 0.5000000), wk = 0.0033557 k( 249) = ( 0.0866667 0.0866667 0.5000000), wk = 0.0033557 k( 250) = ( 0.0800000 0.0800000 0.5000000), wk = 0.0033557 k( 251) = ( 0.0733333 0.0733333 0.5000000), wk = 0.0033557 k( 252) = ( 0.0666667 0.0666667 0.5000000), wk = 0.0033557 k( 253) = ( 0.0600000 0.0600000 0.5000000), wk = 0.0033557 k( 254) = ( 0.0533333 0.0533333 0.5000000), wk = 0.0033557 k( 255) = ( 0.0466667 0.0466667 0.5000000), wk = 0.0033557 k( 256) = ( 0.0400000 0.0400000 0.5000000), wk = 0.0033557 k( 257) = ( 0.0333333 0.0333333 0.5000000), wk = 0.0033557 k( 258) = ( 0.0266667 0.0266667 0.5000000), wk = 0.0033557 k( 259) = ( 0.0200000 0.0200000 0.5000000), wk = 0.0033557 k( 260) = ( 0.0133333 0.0133333 0.5000000), wk = 0.0033557 k( 261) = ( 0.0066667 0.0066667 0.5000000), wk = 0.0033557 k( 262) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033557 k( 263) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0033557 k( 264) = ( 0.5000000 -0.0000000 0.4705882), wk = 0.0033557 k( 265) = ( 0.5000000 -0.0000000 0.4411765), wk = 0.0033557 k( 266) = ( 0.5000000 -0.0000000 0.4117647), wk = 0.0033557 k( 267) = ( 0.5000000 -0.0000000 0.3823529), wk = 0.0033557 k( 268) = ( 0.5000000 -0.0000000 0.3529412), wk = 0.0033557 k( 269) = ( 0.5000000 -0.0000000 0.3235294), wk = 0.0033557 k( 270) = ( 0.5000000 -0.0000000 0.2941177), wk = 0.0033557 k( 271) = ( 0.5000000 -0.0000000 0.2647059), wk = 0.0033557 k( 272) = ( 0.5000000 -0.0000000 0.2352941), wk = 0.0033557 k( 273) = ( 0.5000000 -0.0000000 0.2058823), wk = 0.0033557 k( 274) = ( 0.5000000 -0.0000000 0.1764706), wk = 0.0033557 k( 275) = ( 0.5000000 -0.0000000 0.1470588), wk = 0.0033557 k( 276) = ( 0.5000000 -0.0000000 0.1176471), wk = 0.0033557 k( 277) = ( 0.5000000 -0.0000000 0.0882353), wk = 0.0033557 k( 278) = ( 0.5000000 -0.0000000 0.0588235), wk = 0.0033557 k( 279) = ( 0.5000000 -0.0000000 0.0294118), wk = 0.0033557 k( 280) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0033557 k( 281) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0033557 k( 282) = ( 0.3333333 0.3333333 0.0294118), wk = 0.0033557 k( 283) = ( 0.3333333 0.3333333 0.0588235), wk = 0.0033557 k( 284) = ( 0.3333333 0.3333333 0.0882353), wk = 0.0033557 k( 285) = ( 0.3333333 0.3333333 0.1176471), wk = 0.0033557 k( 286) = ( 0.3333333 0.3333333 0.1470588), wk = 0.0033557 k( 287) = ( 0.3333333 0.3333333 0.1764706), wk = 0.0033557 k( 288) = ( 0.3333333 0.3333333 0.2058823), wk = 0.0033557 k( 289) = ( 0.3333333 0.3333333 0.2352941), wk = 0.0033557 k( 290) = ( 0.3333333 0.3333333 0.2647059), wk = 0.0033557 k( 291) = ( 0.3333333 0.3333333 0.2941177), wk = 0.0033557 k( 292) = ( 0.3333333 0.3333333 0.3235294), wk = 0.0033557 k( 293) = ( 0.3333333 0.3333333 0.3529412), wk = 0.0033557 k( 294) = ( 0.3333333 0.3333333 0.3823529), wk = 0.0033557 k( 295) = ( 0.3333333 0.3333333 0.4117647), wk = 0.0033557 k( 296) = ( 0.3333333 0.3333333 0.4411765), wk = 0.0033557 k( 297) = ( 0.3333333 0.3333333 0.4705882), wk = 0.0033557 k( 298) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033557 Dense grid: 75647 G-vectors FFT dimensions: ( 45, 45, 96) Smooth grid: 39809 G-vectors FFT dimensions: ( 36, 36, 80) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.33 Mb ( 334, 64) NL pseudopotentials 0.52 Mb ( 167, 204) Each V/rho on FFT grid 0.09 Mb ( 6075) Each G-vector array 0.02 Mb ( 2361) G-vector shells 0.01 Mb ( 1090) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.30 Mb ( 334, 256) Each subspace H/S matrix 1.00 Mb ( 256, 256) Each matrix 0.40 Mb ( 204, 2, 64) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./ZnTe.save/charge-density.dat Starting wfc are 78 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.5 secs Computing kpt #: 2 total cpu time spent up to now is 6.2 secs Computing kpt #: 3 total cpu time spent up to now is 7.8 secs Computing kpt #: 4 total cpu time spent up to now is 9.5 secs Computing kpt #: 5 total cpu time spent up to now is 11.3 secs Computing kpt #: 6 total cpu time spent up to now is 13.0 secs Computing kpt #: 7 total cpu time spent up to now is 14.7 secs Computing kpt #: 8 total cpu time spent up to now is 16.6 secs Computing kpt #: 9 total cpu time spent up to now is 18.5 secs Computing kpt #: 10 total cpu time spent up to now is 20.3 secs Computing kpt #: 11 total cpu time spent up to now is 22.5 secs Computing kpt #: 12 total cpu time spent up to now is 24.6 secs Computing kpt #: 13 total cpu time spent up to now is 26.7 secs Computing kpt #: 14 total cpu time spent up to now is 28.6 secs Computing kpt #: 15 total cpu time spent up to now is 30.7 secs Computing kpt #: 16 total cpu time spent up to now is 32.9 secs Computing kpt #: 17 total cpu time spent up to now is 35.8 secs Computing kpt #: 18 total cpu time spent up to now is 37.7 secs Computing kpt #: 19 total cpu time spent up to now is 39.4 secs Computing kpt #: 20 total cpu time spent up to now is 41.0 secs Computing kpt #: 21 total cpu time spent up to now is 42.6 secs Computing kpt #: 22 total cpu time spent up to now is 44.1 secs Computing kpt #: 23 total cpu time spent up to now is 45.6 secs Computing kpt #: 24 total cpu time spent up to now is 47.1 secs Computing kpt #: 25 total cpu time spent up to now is 48.5 secs Computing kpt #: 26 total cpu time spent up to now is 49.9 secs Computing kpt #: 27 total cpu time spent up to now is 51.3 secs Computing kpt #: 28 total cpu time spent up to now is 52.6 secs Computing kpt #: 29 total cpu time spent up to now is 54.0 secs Computing kpt #: 30 total cpu time spent up to now is 55.4 secs Computing kpt #: 31 total cpu time spent up to now is 56.7 secs Computing kpt #: 32 total cpu time spent up to now is 58.0 secs Computing kpt #: 33 total cpu time spent up to now is 59.3 secs Computing kpt #: 34 total cpu time spent up to now is 60.6 secs Computing kpt #: 35 total cpu time spent up to now is 61.9 secs Computing kpt #: 36 total cpu time spent up to now is 63.2 secs Computing kpt #: 37 total cpu time spent up to now is 64.5 secs Computing kpt #: 38 total cpu time spent up to now is 65.8 secs Computing kpt #: 39 total cpu time spent up to now is 67.0 secs Computing kpt #: 40 total cpu time spent up to now is 68.3 secs Computing kpt #: 41 total cpu time spent up to now is 69.6 secs Computing kpt #: 42 total cpu time spent up to now is 70.9 secs Computing kpt #: 43 total cpu time spent up to now is 72.1 secs Computing kpt #: 44 total cpu time spent up to now is 73.4 secs Computing kpt #: 45 total cpu time spent up to now is 74.7 secs Computing kpt #: 46 total cpu time spent up to now is 75.9 secs Computing kpt #: 47 total cpu time spent up to now is 77.2 secs Computing kpt #: 48 total cpu time spent up to now is 78.4 secs Computing kpt #: 49 total cpu time spent up to now is 79.7 secs Computing kpt #: 50 total cpu time spent up to now is 80.9 secs Computing kpt #: 51 total cpu time spent up to now is 82.2 secs Computing kpt #: 52 total cpu time spent up to now is 83.4 secs Computing kpt #: 53 total cpu time spent up to now is 84.8 secs Computing kpt #: 54 total cpu time spent up to now is 86.0 secs Computing kpt #: 55 total cpu time spent up to now is 87.4 secs Computing kpt #: 56 total cpu time spent up to now is 88.7 secs Computing kpt #: 57 total cpu time spent up to now is 90.0 secs Computing kpt #: 58 total cpu time spent up to now is 91.4 secs Computing kpt #: 59 total cpu time spent up to now is 92.9 secs Computing kpt #: 60 total cpu time spent up to now is 94.4 secs Computing kpt #: 61 total cpu time spent up to now is 96.0 secs Computing kpt #: 62 total cpu time spent up to now is 97.6 secs Computing kpt #: 63 total cpu time spent up to now is 99.2 secs Computing kpt #: 64 total cpu time spent up to now is 100.8 secs Computing kpt #: 65 total cpu time spent up to now is 102.4 secs Computing kpt #: 66 total cpu time spent up to now is 104.0 secs Computing kpt #: 67 total cpu time spent up to now is 105.7 secs Computing kpt #: 68 total cpu time spent up to now is 107.4 secs Computing kpt #: 69 total cpu time spent up to now is 109.5 secs Computing kpt #: 70 total cpu time spent up to now is 112.2 secs Computing kpt #: 71 total cpu time spent up to now is 114.4 secs Computing kpt #: 72 total cpu time spent up to now is 116.1 secs Computing kpt #: 73 total cpu time spent up to now is 117.8 secs Computing kpt #: 74 total cpu time spent up to now is 119.7 secs Computing kpt #: 75 total cpu time spent up to now is 121.3 secs Computing kpt #: 76 total cpu time spent up to now is 123.1 secs Computing kpt #: 77 total cpu time spent up to now is 124.7 secs Computing kpt #: 78 total cpu time spent up to now is 126.4 secs Computing kpt #: 79 total cpu time spent up to now is 128.0 secs Computing kpt #: 80 total cpu time spent up to now is 129.6 secs Computing kpt #: 81 total cpu time spent up to now is 131.3 secs Computing kpt #: 82 total cpu time spent up to now is 132.8 secs Computing kpt #: 83 total cpu time spent up to now is 134.4 secs Computing kpt #: 84 total cpu time spent up to now is 136.0 secs Computing kpt #: 85 total cpu time spent up to now is 137.6 secs Computing kpt #: 86 total cpu time spent up to now is 139.1 secs Computing kpt #: 87 total cpu time spent up to now is 140.7 secs Computing kpt #: 88 total cpu time spent up to now is 142.3 secs Computing kpt #: 89 total cpu time spent up to now is 143.9 secs Computing kpt #: 90 total cpu time spent up to now is 145.5 secs Computing kpt #: 91 total cpu time spent up to now is 147.0 secs Computing kpt #: 92 total cpu time spent up to now is 148.5 secs Computing kpt #: 93 total cpu time spent up to now is 150.0 secs Computing kpt #: 94 total cpu time spent up to now is 151.5 secs Computing kpt #: 95 total cpu time spent up to now is 153.0 secs Computing kpt #: 96 total cpu time spent up to now is 154.5 secs Computing kpt #: 97 total cpu time spent up to now is 156.1 secs Computing kpt #: 98 total cpu time spent up to now is 157.6 secs Computing kpt #: 99 total cpu time spent up to now is 159.2 secs Computing kpt #: 100 total cpu time spent up to now is 160.7 secs Computing kpt #: 101 total cpu time spent up to now is 162.2 secs Computing kpt #: 102 total cpu time spent up to now is 163.7 secs Computing kpt #: 103 total cpu time spent up to now is 165.5 secs Computing kpt #: 104 total cpu time spent up to now is 167.2 secs Computing kpt #: 105 total cpu time spent up to now is 168.9 secs Computing kpt #: 106 total cpu time spent up to now is 170.6 secs Computing kpt #: 107 total cpu time spent up to now is 172.2 secs Computing kpt #: 108 total cpu time spent up to now is 174.0 secs Computing kpt #: 109 total cpu time spent up to now is 175.9 secs Computing kpt #: 110 total cpu time spent up to now is 177.7 secs Computing kpt #: 111 total cpu time spent up to now is 179.5 secs Computing kpt #: 112 total cpu time spent up to now is 181.3 secs Computing kpt #: 113 total cpu time spent up to now is 183.0 secs Computing kpt #: 114 total cpu time spent up to now is 184.8 secs Computing kpt #: 115 total cpu time spent up to now is 186.5 secs Computing kpt #: 116 total cpu time spent up to now is 188.3 secs Computing kpt #: 117 total cpu time spent up to now is 190.1 secs Computing kpt #: 118 total cpu time spent up to now is 191.8 secs Computing kpt #: 119 total cpu time spent up to now is 193.4 secs Computing kpt #: 120 total cpu time spent up to now is 195.1 secs Computing kpt #: 121 total cpu time spent up to now is 196.7 secs Computing kpt #: 122 total cpu time spent up to now is 198.3 secs Computing kpt #: 123 total cpu time spent up to now is 199.9 secs Computing kpt #: 124 total cpu time spent up to now is 201.6 secs Computing kpt #: 125 total cpu time spent up to now is 203.3 secs Computing kpt #: 126 total cpu time spent up to now is 205.1 secs Computing kpt #: 127 total cpu time spent up to now is 206.8 secs Computing kpt #: 128 total cpu time spent up to now is 208.5 secs Computing kpt #: 129 total cpu time spent up to now is 210.0 secs Computing kpt #: 130 total cpu time spent up to now is 211.6 secs Computing kpt #: 131 total cpu time spent up to now is 213.1 secs Computing kpt #: 132 total cpu time spent up to now is 214.6 secs Computing kpt #: 133 total cpu time spent up to now is 216.1 secs Computing kpt #: 134 total cpu time spent up to now is 217.5 secs Computing kpt #: 135 total cpu time spent up to now is 219.1 secs Computing kpt #: 136 total cpu time spent up to now is 220.5 secs Computing kpt #: 137 total cpu time spent up to now is 222.1 secs Computing kpt #: 138 total cpu time spent up to now is 223.7 secs Computing kpt #: 139 total cpu time spent up to now is 225.4 secs Computing kpt #: 140 total cpu time spent up to now is 227.0 secs Computing kpt #: 141 total cpu time spent up to now is 228.5 secs Computing kpt #: 142 total cpu time spent up to now is 230.1 secs Computing kpt #: 143 total cpu time spent up to now is 231.8 secs Computing kpt #: 144 total cpu time spent up to now is 233.5 secs Computing kpt #: 145 total cpu time spent up to now is 235.2 secs Computing kpt #: 146 total cpu time spent up to now is 236.9 secs Computing kpt #: 147 total cpu time spent up to now is 238.4 secs Computing kpt #: 148 total cpu time spent up to now is 240.0 secs Computing kpt #: 149 total cpu time spent up to now is 241.5 secs Computing kpt #: 150 total cpu time spent up to now is 243.1 secs Computing kpt #: 151 total cpu time spent up to now is 244.7 secs Computing kpt #: 152 total cpu time spent up to now is 246.3 secs Computing kpt #: 153 total cpu time spent up to now is 247.9 secs Computing kpt #: 154 total cpu time spent up to now is 249.5 secs Computing kpt #: 155 total cpu time spent up to now is 251.2 secs Computing kpt #: 156 total cpu time spent up to now is 252.7 secs Computing kpt #: 157 total cpu time spent up to now is 254.4 secs Computing kpt #: 158 total cpu time spent up to now is 255.9 secs Computing kpt #: 159 total cpu time spent up to now is 257.4 secs Computing kpt #: 160 total cpu time spent up to now is 258.9 secs Computing kpt #: 161 total cpu time spent up to now is 260.5 secs Computing kpt #: 162 total cpu time spent up to now is 262.0 secs Computing kpt #: 163 total cpu time spent up to now is 263.5 secs Computing kpt #: 164 total cpu time spent up to now is 265.0 secs Computing kpt #: 165 total cpu time spent up to now is 266.5 secs Computing kpt #: 166 total cpu time spent up to now is 268.1 secs Computing kpt #: 167 total cpu time spent up to now is 269.6 secs Computing kpt #: 168 total cpu time spent up to now is 271.1 secs Computing kpt #: 169 total cpu time spent up to now is 272.6 secs Computing kpt #: 170 total cpu time spent up to now is 274.1 secs Computing kpt #: 171 total cpu time spent up to now is 275.6 secs Computing kpt #: 172 total cpu time spent up to now is 277.1 secs Computing kpt #: 173 total cpu time spent up to now is 278.7 secs Computing kpt #: 174 total cpu time spent up to now is 280.2 secs Computing kpt #: 175 total cpu time spent up to now is 281.9 secs Computing kpt #: 176 total cpu time spent up to now is 283.4 secs Computing kpt #: 177 total cpu time spent up to now is 285.0 secs Computing kpt #: 178 total cpu time spent up to now is 286.6 secs Computing kpt #: 179 total cpu time spent up to now is 288.3 secs Computing kpt #: 180 total cpu time spent up to now is 289.8 secs Computing kpt #: 181 total cpu time spent up to now is 291.3 secs Computing kpt #: 182 total cpu time spent up to now is 292.8 secs Computing kpt #: 183 total cpu time spent up to now is 294.4 secs Computing kpt #: 184 total cpu time spent up to now is 295.9 secs Computing kpt #: 185 total cpu time spent up to now is 297.5 secs Computing kpt #: 186 total cpu time spent up to now is 299.0 secs Computing kpt #: 187 total cpu time spent up to now is 300.5 secs Computing kpt #: 188 total cpu time spent up to now is 302.1 secs Computing kpt #: 189 total cpu time spent up to now is 303.6 secs Computing kpt #: 190 total cpu time spent up to now is 305.0 secs Computing kpt #: 191 total cpu time spent up to now is 306.4 secs Computing kpt #: 192 total cpu time spent up to now is 307.7 secs Computing kpt #: 193 total cpu time spent up to now is 309.0 secs Computing kpt #: 194 total cpu time spent up to now is 310.5 secs Computing kpt #: 195 total cpu time spent up to now is 312.0 secs Computing kpt #: 196 total cpu time spent up to now is 313.5 secs Computing kpt #: 197 total cpu time spent up to now is 314.9 secs Computing kpt #: 198 total cpu time spent up to now is 316.4 secs Computing kpt #: 199 total cpu time spent up to now is 317.9 secs Computing kpt #: 200 total cpu time spent up to now is 319.3 secs Computing kpt #: 201 total cpu time spent up to now is 320.9 secs Computing kpt #: 202 total cpu time spent up to now is 322.4 secs Computing kpt #: 203 total cpu time spent up to now is 324.0 secs Computing kpt #: 204 total cpu time spent up to now is 325.5 secs Computing kpt #: 205 total cpu time spent up to now is 327.1 secs Computing kpt #: 206 total cpu time spent up to now is 328.6 secs Computing kpt #: 207 total cpu time spent up to now is 330.2 secs Computing kpt #: 208 total cpu time spent up to now is 331.7 secs Computing kpt #: 209 total cpu time spent up to now is 333.2 secs Computing kpt #: 210 total cpu time spent up to now is 334.7 secs Computing kpt #: 211 total cpu time spent up to now is 336.2 secs Computing kpt #: 212 total cpu time spent up to now is 337.7 secs Computing kpt #: 213 total cpu time spent up to now is 339.2 secs Computing kpt #: 214 total cpu time spent up to now is 340.7 secs Computing kpt #: 215 total cpu time spent up to now is 342.2 secs Computing kpt #: 216 total cpu time spent up to now is 343.7 secs Computing kpt #: 217 total cpu time spent up to now is 345.2 secs Computing kpt #: 218 total cpu time spent up to now is 346.7 secs Computing kpt #: 219 total cpu time spent up to now is 348.1 secs Computing kpt #: 220 total cpu time spent up to now is 349.6 secs Computing kpt #: 221 total cpu time spent up to now is 351.0 secs Computing kpt #: 222 total cpu time spent up to now is 352.5 secs Computing kpt #: 223 total cpu time spent up to now is 354.0 secs Computing kpt #: 224 total cpu time spent up to now is 355.4 secs Computing kpt #: 225 total cpu time spent up to now is 356.8 secs Computing kpt #: 226 total cpu time spent up to now is 358.1 secs Computing kpt #: 227 total cpu time spent up to now is 359.5 secs Computing kpt #: 228 total cpu time spent up to now is 360.9 secs Computing kpt #: 229 total cpu time spent up to now is 362.3 secs Computing kpt #: 230 total cpu time spent up to now is 363.6 secs Computing kpt #: 231 total cpu time spent up to now is 365.0 secs Computing kpt #: 232 total cpu time spent up to now is 366.3 secs Computing kpt #: 233 total cpu time spent up to now is 367.7 secs Computing kpt #: 234 total cpu time spent up to now is 369.1 secs Computing kpt #: 235 total cpu time spent up to now is 370.6 secs Computing kpt #: 236 total cpu time spent up to now is 371.9 secs Computing kpt #: 237 total cpu time spent up to now is 373.4 secs Computing kpt #: 238 total cpu time spent up to now is 375.0 secs Computing kpt #: 239 total cpu time spent up to now is 376.5 secs Computing kpt #: 240 total cpu time spent up to now is 378.0 secs Computing kpt #: 241 total cpu time spent up to now is 379.5 secs Computing kpt #: 242 total cpu time spent up to now is 381.0 secs Computing kpt #: 243 total cpu time spent up to now is 382.5 secs Computing kpt #: 244 total cpu time spent up to now is 384.0 secs Computing kpt #: 245 total cpu time spent up to now is 385.5 secs Computing kpt #: 246 total cpu time spent up to now is 387.1 secs Computing kpt #: 247 total cpu time spent up to now is 388.6 secs Computing kpt #: 248 total cpu time spent up to now is 390.2 secs Computing kpt #: 249 total cpu time spent up to now is 391.7 secs Computing kpt #: 250 total cpu time spent up to now is 393.3 secs Computing kpt #: 251 total cpu time spent up to now is 394.9 secs Computing kpt #: 252 total cpu time spent up to now is 396.4 secs Computing kpt #: 253 total cpu time spent up to now is 397.9 secs Computing kpt #: 254 total cpu time spent up to now is 399.4 secs Computing kpt #: 255 total cpu time spent up to now is 401.0 secs Computing kpt #: 256 total cpu time spent up to now is 402.6 secs Computing kpt #: 257 total cpu time spent up to now is 404.2 secs Computing kpt #: 258 total cpu time spent up to now is 405.9 secs Computing kpt #: 259 total cpu time spent up to now is 407.6 secs Computing kpt #: 260 total cpu time spent up to now is 409.6 secs Computing kpt #: 261 total cpu time spent up to now is 413.9 secs Computing kpt #: 262 total cpu time spent up to now is 415.5 secs Computing kpt #: 263 total cpu time spent up to now is 417.0 secs Computing kpt #: 264 total cpu time spent up to now is 418.5 secs Computing kpt #: 265 total cpu time spent up to now is 420.1 secs Computing kpt #: 266 total cpu time spent up to now is 421.7 secs Computing kpt #: 267 total cpu time spent up to now is 423.2 secs Computing kpt #: 268 total cpu time spent up to now is 424.7 secs Computing kpt #: 269 total cpu time spent up to now is 426.0 secs Computing kpt #: 270 total cpu time spent up to now is 427.4 secs Computing kpt #: 271 total cpu time spent up to now is 428.7 secs Computing kpt #: 272 total cpu time spent up to now is 430.0 secs Computing kpt #: 273 total cpu time spent up to now is 431.3 secs Computing kpt #: 274 total cpu time spent up to now is 432.6 secs Computing kpt #: 275 total cpu time spent up to now is 433.9 secs Computing kpt #: 276 total cpu time spent up to now is 435.1 secs Computing kpt #: 277 total cpu time spent up to now is 436.4 secs Computing kpt #: 278 total cpu time spent up to now is 437.7 secs Computing kpt #: 279 total cpu time spent up to now is 439.0 secs Computing kpt #: 280 total cpu time spent up to now is 440.2 secs Computing kpt #: 281 total cpu time spent up to now is 441.9 secs Computing kpt #: 282 total cpu time spent up to now is 443.6 secs Computing kpt #: 283 total cpu time spent up to now is 445.4 secs Computing kpt #: 284 total cpu time spent up to now is 447.3 secs Computing kpt #: 285 total cpu time spent up to now is 449.1 secs Computing kpt #: 286 total cpu time spent up to now is 451.1 secs Computing kpt #: 287 total cpu time spent up to now is 452.8 secs Computing kpt #: 288 total cpu time spent up to now is 454.6 secs Computing kpt #: 289 total cpu time spent up to now is 456.2 secs Computing kpt #: 290 total cpu time spent up to now is 457.8 secs Computing kpt #: 291 total cpu time spent up to now is 459.4 secs Computing kpt #: 292 total cpu time spent up to now is 461.1 secs Computing kpt #: 293 total cpu time spent up to now is 462.6 secs Computing kpt #: 294 total cpu time spent up to now is 464.1 secs Computing kpt #: 295 total cpu time spent up to now is 465.5 secs Computing kpt #: 296 total cpu time spent up to now is 467.1 secs Computing kpt #: 297 total cpu time spent up to now is 468.7 secs Computing kpt #: 298 total cpu time spent up to now is 470.2 secs ethr = 1.85E-11, avg # of iterations = 27.2 total cpu time spent up to now is 470.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5049 PWs) bands (ev): -5.2043 -5.2043 -4.0889 -4.0889 -4.0863 -4.0863 -0.0261 -0.0261 0.0359 0.0359 0.1197 0.1197 0.1351 0.1351 0.1635 0.1635 0.2253 0.2253 0.3010 0.3010 0.3361 0.3361 0.3822 0.3822 0.5022 0.5022 0.5202 0.5202 0.5384 0.5384 0.5526 0.5526 0.5537 0.5537 0.6061 0.6061 2.7412 2.7412 2.7535 2.7535 5.1549 5.1549 6.3718 6.3718 6.5155 6.5155 7.0632 7.0632 7.0678 7.0678 7.1255 7.1255 7.6948 7.6948 8.3840 8.3840 10.1132 10.1132 10.1267 10.1267 11.5693 11.5693 11.5841 11.5841 k = 0.0114 0.0066-0.0000 ( 5031 PWs) bands (ev): -5.2033 -5.2033 -4.0882 -4.0882 -4.0857 -4.0857 -0.0260 -0.0260 0.0358 0.0362 0.1173 0.1213 0.1356 0.1357 0.1633 0.1638 0.2238 0.2268 0.3011 0.3011 0.3359 0.3368 0.3807 0.3839 0.5017 0.5028 0.5176 0.5228 0.5384 0.5384 0.5519 0.5523 0.5534 0.5553 0.6062 0.6062 2.7412 2.7414 2.7494 2.7583 5.1416 5.1617 6.3556 6.3733 6.5107 6.5108 7.0506 7.0514 7.0610 7.0629 7.1209 7.1212 7.6826 7.7028 8.4014 8.4025 10.1160 10.1227 10.1338 10.1342 11.5631 11.5656 11.5718 11.5917 k = 0.0227 0.0131-0.0000 ( 5017 PWs) bands (ev): -5.2003 -5.2002 -4.0863 -4.0862 -4.0837 -4.0837 -0.0257 -0.0257 0.0358 0.0365 0.1144 0.1218 0.1367 0.1376 0.1631 0.1641 0.2223 0.2282 0.3013 0.3013 0.3360 0.3378 0.3792 0.3857 0.5011 0.5034 0.5151 0.5255 0.5383 0.5384 0.5508 0.5514 0.5543 0.5569 0.6065 0.6065 2.7394 2.7420 2.7479 2.7635 5.1221 5.1621 6.3254 6.3589 6.4964 6.4970 7.0148 7.0197 7.0417 7.0462 7.1079 7.1082 7.6666 7.7083 8.4518 8.4535 10.1280 10.1411 10.1587 10.1589 11.5425 11.5455 11.5636 11.5992 k = 0.0341 0.0197-0.0000 ( 5009 PWs) bands (ev): -5.1953 -5.1952 -4.0831 -4.0830 -4.0804 -4.0804 -0.0253 -0.0252 0.0359 0.0369 0.1114 0.1214 0.1381 0.1406 0.1630 0.1645 0.2207 0.2295 0.3016 0.3018 0.3365 0.3390 0.3777 0.3876 0.5006 0.5039 0.5126 0.5281 0.5382 0.5384 0.5493 0.5510 0.5552 0.5585 0.6069 0.6069 2.7347 2.7428 2.7501 2.7693 5.0964 5.1560 6.2812 6.3269 6.4725 6.4744 6.9611 6.9745 7.0100 7.0185 7.0873 7.0881 7.6484 7.7129 8.5282 8.5296 10.1469 10.1649 10.2013 10.2030 11.5095 11.5108 11.5616 11.6068 k = 0.0455 0.0262-0.0000 ( 5007 PWs) bands (ev): -5.1882 -5.1881 -4.0786 -4.0785 -4.0759 -4.0758 -0.0247 -0.0245 0.0361 0.0374 0.1084 0.1206 0.1396 0.1441 0.1629 0.1649 0.2191 0.2308 0.3020 0.3024 0.3374 0.3406 0.3764 0.3895 0.5000 0.5045 0.5103 0.5306 0.5380 0.5384 0.5477 0.5509 0.5563 0.5601 0.6074 0.6075 2.7285 2.7433 2.7545 2.7761 5.0649 5.1436 6.2228 6.2759 6.4391 6.4434 6.8964 6.9230 6.9666 6.9811 7.0600 7.0626 7.6294 7.7172 8.6225 8.6229 10.1716 10.1946 10.2596 10.2636 11.4680 11.4683 11.5635 11.6140 k = 0.0568 0.0328-0.0000 ( 5019 PWs) bands (ev): -5.1792 -5.1790 -4.0729 -4.0729 -4.0700 -4.0698 -0.0241 -0.0236 0.0364 0.0379 0.1055 0.1196 0.1412 0.1480 0.1628 0.1653 0.2174 0.2319 0.3024 0.3032 0.3386 0.3423 0.3752 0.3915 0.4994 0.5050 0.5080 0.5328 0.5377 0.5387 0.5461 0.5508 0.5573 0.5617 0.6081 0.6083 2.7212 2.7430 2.7604 2.7841 5.0280 5.1250 6.1497 6.2055 6.3964 6.4043 6.8267 6.8712 6.9125 6.9359 7.0270 7.0332 7.6099 7.7208 8.7269 8.7280 10.2008 10.2288 10.3315 10.3382 11.4221 11.4221 11.5705 11.6215 k = 0.0682 0.0394-0.0000 ( 5021 PWs) bands (ev): -5.1682 -5.1680 -4.0660 -4.0660 -4.0628 -4.0626 -0.0233 -0.0225 0.0369 0.0384 0.1028 0.1185 0.1428 0.1521 0.1629 0.1658 0.2157 0.2331 0.3030 0.3042 0.3402 0.3443 0.3741 0.3935 0.4988 0.5055 0.5059 0.5345 0.5373 0.5395 0.5445 0.5510 0.5584 0.5635 0.6090 0.6093 2.7127 2.7417 2.7678 2.7936 4.9861 5.1006 6.0623 6.1169 6.3452 6.3576 6.7564 6.8221 6.8500 6.8850 6.9894 7.0007 7.5896 7.7230 8.8362 8.8392 10.2326 10.2655 10.4146 10.4245 11.3757 11.3759 11.5837 11.6308 k = 0.0795 0.0459-0.0000 ( 5011 PWs) bands (ev): -5.1552 -5.1550 -4.0581 -4.0580 -4.0543 -4.0540 -0.0223 -0.0212 0.0375 0.0390 0.1003 0.1174 0.1444 0.1562 0.1630 0.1663 0.2141 0.2342 0.3036 0.3053 0.3421 0.3464 0.3732 0.3957 0.4982 0.5040 0.5061 0.5354 0.5369 0.5412 0.5430 0.5513 0.5595 0.5654 0.6101 0.6105 2.7029 2.7389 2.7766 2.8045 4.9397 5.0706 5.9616 6.0126 6.2860 6.3041 6.6874 6.7729 6.7848 6.8305 6.9479 6.9661 7.5680 7.7228 8.9467 8.9519 10.2654 10.3027 10.5058 10.5197 11.3326 11.3338 11.6042 11.6441 k = 0.0909 0.0525-0.0000 ( 5023 PWs) bands (ev): -5.1403 -5.1400 -4.0490 -4.0489 -4.0445 -4.0442 -0.0213 -0.0197 0.0383 0.0397 0.0979 0.1164 0.1459 0.1600 0.1635 0.1669 0.2124 0.2353 0.3043 0.3067 0.3443 0.3487 0.3726 0.3978 0.4973 0.5024 0.5066 0.5357 0.5365 0.5413 0.5433 0.5518 0.5606 0.5673 0.6113 0.6118 2.6914 2.7342 2.7868 2.8170 4.8896 5.0357 5.8493 5.8957 6.2197 6.2443 6.6203 6.7026 6.7392 6.7743 6.9036 6.9299 7.5446 7.7197 9.0549 9.0625 10.2973 10.3382 10.6013 10.6200 11.2973 11.3003 11.6331 11.6636 k = 0.1023 0.0590-0.0000 ( 5019 PWs) bands (ev): -5.1235 -5.1232 -4.0389 -4.0387 -4.0336 -4.0332 -0.0201 -0.0179 0.0392 0.0404 0.0958 0.1154 0.1473 0.1622 0.1658 0.1675 0.2108 0.2366 0.3051 0.3082 0.3465 0.3511 0.3723 0.4001 0.4963 0.5012 0.5072 0.5357 0.5362 0.5396 0.5456 0.5524 0.5618 0.5695 0.6128 0.6134 2.6780 2.7275 2.7984 2.8309 4.8366 4.9964 5.7277 5.7695 6.1470 6.1789 6.5547 6.6249 6.7004 6.7178 6.8573 6.8925 7.5187 7.7132 9.1577 9.1679 10.3270 10.3702 10.6957 10.7205 11.2752 11.2808 11.6709 11.6916 k = 0.1136 0.0656-0.0000 ( 5009 PWs) bands (ev): -5.1048 -5.1044 -4.0277 -4.0275 -4.0215 -4.0210 -0.0189 -0.0160 0.0404 0.0411 0.0940 0.1146 0.1485 0.1628 0.1683 0.1696 0.2092 0.2380 0.3060 0.3098 0.3488 0.3536 0.3725 0.4024 0.4951 0.5005 0.5077 0.5356 0.5358 0.5380 0.5480 0.5532 0.5630 0.5718 0.6144 0.6152 2.6624 2.7182 2.8112 2.8462 4.7814 4.9534 5.5988 5.6365 6.0685 6.1082 6.4900 6.5456 6.6621 6.6634 6.8096 6.8542 7.4901 7.7027 9.2521 9.2649 10.3534 10.3972 10.7817 10.8135 11.2735 11.2824 11.7165 11.7289 k = 0.1250 0.0722-0.0000 ( 5009 PWs) bands (ev): -5.0842 -5.0838 -4.0155 -4.0152 -4.0083 -4.0078 -0.0175 -0.0138 0.0416 0.0419 0.0925 0.1139 0.1496 0.1632 0.1690 0.1735 0.2077 0.2395 0.3069 0.3114 0.3508 0.3562 0.3733 0.4048 0.4938 0.5001 0.5083 0.5355 0.5355 0.5363 0.5503 0.5541 0.5642 0.5743 0.6162 0.6172 2.6443 2.7060 2.8252 2.8629 4.7250 4.9077 5.4648 5.4988 5.9847 6.0325 6.4261 6.4666 6.6078 6.6273 6.7612 6.8152 7.4586 7.6882 9.3357 9.3509 10.3760 10.4182 10.8510 10.8897 11.2997 11.3114 11.6464 11.7317 k = 0.1364 0.0787-0.0000 ( 5009 PWs) bands (ev): -5.0618 -5.0614 -4.0023 -4.0020 -3.9941 -3.9935 -0.0161 -0.0115 0.0428 0.0430 0.0912 0.1134 0.1506 0.1636 0.1698 0.1773 0.2062 0.2414 0.3080 0.3132 0.3524 0.3588 0.3750 0.4072 0.4924 0.5000 0.5088 0.5346 0.5353 0.5353 0.5526 0.5551 0.5654 0.5770 0.6181 0.6194 2.6232 2.6905 2.8403 2.8808 4.6683 4.8600 5.3272 5.3581 5.8962 5.9518 6.3632 6.3896 6.5550 6.5916 6.7126 6.7759 7.4239 7.6694 9.4061 9.4233 10.3946 10.4330 10.9000 10.9439 11.3511 11.3614 11.5724 11.6611 k = 0.1477 0.0853-0.0000 ( 5005 PWs) bands (ev): -5.0376 -5.0372 -3.9882 -3.9879 -3.9790 -3.9783 -0.0146 -0.0091 0.0438 0.0446 0.0903 0.1130 0.1514 0.1640 0.1706 0.1808 0.2048 0.2437 0.3091 0.3149 0.3535 0.3613 0.3776 0.4097 0.4912 0.5001 0.5094 0.5329 0.5351 0.5352 0.5547 0.5561 0.5667 0.5799 0.6203 0.6217 2.5989 2.6712 2.8564 2.8998 4.6122 4.8110 5.1875 5.2159 5.8038 5.8663 6.3015 6.3156 6.5035 6.5558 6.6640 6.7363 7.3861 7.6464 9.4619 9.4803 10.4094 10.4420 10.9328 10.9805 11.3783 11.3931 11.5559 11.6247 k = 0.1591 0.0919-0.0000 ( 4997 PWs) bands (ev): -5.0117 -5.0112 -3.9732 -3.9729 -3.9630 -3.9623 -0.0130 -0.0065 0.0448 0.0463 0.0896 0.1127 0.1521 0.1645 0.1714 0.1840 0.2035 0.2465 0.3103 0.3166 0.3541 0.3638 0.3811 0.4122 0.4901 0.5003 0.5100 0.5313 0.5349 0.5352 0.5567 0.5573 0.5680 0.5831 0.6228 0.6243 2.5711 2.6476 2.8734 2.9199 4.5575 4.7613 5.0471 5.0737 5.7080 5.7765 6.2412 6.2455 6.4532 6.5200 6.6159 6.6967 7.3452 7.6191 9.5023 9.5212 10.4209 10.4461 10.9554 11.0073 11.3160 11.3649 11.6341 11.6736 k = 0.1705 0.0984-0.0000 ( 4987 PWs) bands (ev): -4.9842 -4.9836 -3.9575 -3.9571 -3.9462 -3.9454 -0.0113 -0.0039 0.0459 0.0481 0.0894 0.1127 0.1526 0.1650 0.1722 0.1869 0.2024 0.2498 0.3115 0.3183 0.3543 0.3662 0.3854 0.4148 0.4892 0.5007 0.5107 0.5297 0.5347 0.5352 0.5585 0.5587 0.5694 0.5866 0.6255 0.6271 2.5395 2.6195 2.8913 2.9408 4.5044 4.7100 4.9072 4.9339 5.6098 5.6828 6.1796 6.1826 6.4040 6.4841 6.5684 6.6571 7.3013 7.5877 9.5277 9.5462 10.4296 10.4463 10.9696 11.0282 11.2300 11.2879 11.7417 11.7781 k = 0.1818 0.1050-0.0000 ( 4989 PWs) bands (ev): -4.9550 -4.9544 -3.9410 -3.9405 -3.9287 -3.9280 -0.0095 -0.0012 0.0471 0.0499 0.0894 0.1128 0.1531 0.1656 0.1730 0.1894 0.2014 0.2536 0.3127 0.3198 0.3542 0.3685 0.3903 0.4173 0.4884 0.5013 0.5113 0.5281 0.5345 0.5354 0.5600 0.5603 0.5708 0.5902 0.6284 0.6300 2.5038 2.5866 2.9097 2.9625 4.4524 4.6524 4.7701 4.8030 5.5100 5.5861 6.1180 6.1259 6.3556 6.4481 6.5218 6.6177 7.2545 7.5524 9.5393 9.5565 10.4359 10.4438 10.9703 11.0424 11.1446 11.1955 11.8154 11.8957 k = 0.1932 0.1115-0.0000 ( 4993 PWs) bands (ev): -4.9242 -4.9236 -3.9238 -3.9233 -3.9107 -3.9099 -0.0077 0.0014 0.0484 0.0518 0.0898 0.1131 0.1534 0.1663 0.1737 0.1915 0.2007 0.2580 0.3140 0.3213 0.3540 0.3705 0.3958 0.4199 0.4879 0.5019 0.5119 0.5267 0.5343 0.5357 0.5615 0.5619 0.5724 0.5942 0.6316 0.6330 2.4641 2.5486 2.9285 2.9846 4.3988 4.5706 4.6396 4.6999 5.4094 5.4873 6.0604 6.0710 6.3081 6.4123 6.4763 6.5787 7.2051 7.5136 9.5389 9.5541 10.4396 10.4405 10.9413 11.0472 11.0775 11.0974 11.7554 11.8580 k = 0.2045 0.1181-0.0000 ( 4997 PWs) bands (ev): -4.8920 -4.8913 -3.9061 -3.9055 -3.8923 -3.8914 -0.0058 0.0041 0.0497 0.0537 0.0905 0.1136 0.1536 0.1669 0.1744 0.1934 0.2002 0.2630 0.3152 0.3227 0.3537 0.3724 0.4015 0.4224 0.4875 0.5027 0.5126 0.5253 0.5341 0.5362 0.5631 0.5634 0.5740 0.5984 0.6351 0.6362 2.4203 2.5056 2.9476 3.0070 4.3349 4.4528 4.5255 4.6376 5.3088 5.3874 6.0064 6.0180 6.2614 6.3766 6.4319 6.5403 7.1533 7.4714 9.5286 9.5413 10.4342 10.4434 10.8716 10.9957 11.0384 11.0405 11.6587 11.7565 k = 0.2159 0.1247-0.0000 ( 4997 PWs) bands (ev): -4.8583 -4.8576 -3.8878 -3.8872 -3.8734 -3.8725 -0.0039 0.0066 0.0510 0.0556 0.0915 0.1143 0.1537 0.1676 0.1752 0.1951 0.2001 0.2684 0.3164 0.3240 0.3534 0.3741 0.4076 0.4250 0.4873 0.5036 0.5133 0.5242 0.5339 0.5369 0.5648 0.5648 0.5758 0.6030 0.6389 0.6396 2.3725 2.4578 2.9666 3.0294 4.2459 4.3193 4.4429 4.5966 5.2093 5.2874 5.9559 5.9669 6.2155 6.3411 6.3887 6.5025 7.0995 7.4263 9.5103 9.5203 10.4279 10.4451 10.7801 10.8933 11.0074 11.0195 11.5558 11.6509 k = 0.2273 0.1312-0.0000 ( 4997 PWs) bands (ev): -4.8234 -4.8226 -3.8691 -3.8685 -3.8544 -3.8535 -0.0020 0.0091 0.0524 0.0575 0.0928 0.1153 0.1538 0.1683 0.1759 0.1967 0.2003 0.2743 0.3175 0.3252 0.3532 0.3755 0.4139 0.4276 0.4872 0.5045 0.5140 0.5234 0.5338 0.5377 0.5661 0.5666 0.5776 0.6078 0.6430 0.6430 2.3210 2.4055 2.9853 3.0514 4.1315 4.1819 4.3929 4.5656 5.1116 5.1882 5.9083 5.9177 6.1705 6.3061 6.3469 6.4656 7.0438 7.3786 9.4861 9.4930 10.4204 10.4455 10.6812 10.7903 10.9709 10.9856 11.4512 11.5443 k = 0.2386 0.1378-0.0000 ( 4997 PWs) bands (ev): -4.7871 -4.7863 -3.8500 -3.8494 -3.8353 -3.8343 -0.0001 0.0114 0.0537 0.0594 0.0943 0.1165 0.1539 0.1689 0.1767 0.1984 0.2009 0.2805 0.3185 0.3264 0.3530 0.3766 0.4202 0.4301 0.4871 0.5055 0.5147 0.5229 0.5337 0.5388 0.5674 0.5686 0.5797 0.6131 0.6466 0.6476 2.2663 2.3492 3.0033 3.0727 4.0049 4.0442 4.3620 4.5414 5.0169 5.0907 5.8635 5.8703 6.1265 6.2716 6.3066 6.4298 6.9867 7.3288 9.4574 9.4612 10.4107 10.4445 10.5795 10.6880 10.9264 10.9408 11.3469 11.4382 k = 0.2500 0.1443-0.0000 ( 4989 PWs) bands (ev): -4.7497 -4.7489 -3.8307 -3.8300 -3.8163 -3.8153 0.0019 0.0137 0.0550 0.0614 0.0957 0.1179 0.1540 0.1694 0.1777 0.2002 0.2020 0.2868 0.3195 0.3274 0.3529 0.3776 0.4266 0.4327 0.4870 0.5066 0.5155 0.5229 0.5336 0.5401 0.5686 0.5707 0.5818 0.6187 0.6503 0.6525 2.2087 2.2895 3.0203 3.0927 3.8745 3.9076 4.3419 4.5230 4.9261 4.9960 5.8213 5.8247 6.0835 6.2376 6.2677 6.3950 6.9284 7.2771 9.4256 9.4262 10.3961 10.4414 10.4772 10.5894 10.8748 10.8878 11.2443 11.3339 k = 0.2614 0.1509-0.0000 ( 4979 PWs) bands (ev): -4.7113 -4.7104 -3.8112 -3.8105 -3.7975 -3.7964 0.0038 0.0158 0.0561 0.0635 0.0971 0.1196 0.1541 0.1697 0.1788 0.2022 0.2035 0.2932 0.3203 0.3284 0.3529 0.3783 0.4330 0.4353 0.4868 0.5078 0.5163 0.5234 0.5336 0.5416 0.5697 0.5731 0.5841 0.6248 0.6540 0.6578 2.1489 2.2272 3.0357 3.1110 3.7436 3.7727 4.3286 4.5095 4.8405 4.9049 5.7809 5.7814 6.0418 6.2043 6.2304 6.3616 6.8692 7.2240 9.3889 9.3917 10.3674 10.3732 10.4378 10.5036 10.8185 10.8293 11.1446 11.2325 k = 0.2727 0.1575-0.0000 ( 4983 PWs) bands (ev): -4.6720 -4.6710 -3.7917 -3.7910 -3.7790 -3.7779 0.0056 0.0178 0.0571 0.0657 0.0983 0.1215 0.1543 0.1699 0.1801 0.2045 0.2055 0.2994 0.3210 0.3293 0.3531 0.3788 0.4378 0.4391 0.4865 0.5091 0.5171 0.5243 0.5337 0.5432 0.5707 0.5756 0.5866 0.6313 0.6577 0.6636 2.0876 2.1630 3.0492 3.1267 3.6137 3.6399 4.3199 4.5003 4.7617 4.8185 5.7389 5.7436 6.0013 6.1716 6.1947 6.3297 6.8096 7.1698 9.3503 9.3565 10.2709 10.3072 10.4303 10.4480 10.7594 10.7677 11.0490 11.1351 k = 0.2841 0.1640-0.0000 ( 4983 PWs) bands (ev): -4.6319 -4.6308 -3.7722 -3.7714 -3.7611 -3.7600 0.0074 0.0197 0.0579 0.0680 0.0992 0.1236 0.1546 0.1699 0.1816 0.2072 0.2079 0.3052 0.3216 0.3303 0.3533 0.3791 0.4404 0.4450 0.4860 0.5105 0.5178 0.5258 0.5337 0.5451 0.5718 0.5785 0.5892 0.6384 0.6614 0.6698 2.0255 2.0977 3.0601 3.1394 3.4856 3.5094 4.3138 4.4944 4.6914 4.7383 5.6987 5.7080 5.9623 6.1396 6.1607 6.2994 6.7497 7.1149 9.3109 9.3207 10.1695 10.2190 10.4189 10.4192 10.6995 10.7047 10.9590 11.0428 k = 0.2955 0.1706-0.0000 ( 4983 PWs) bands (ev): -4.5911 -4.5900 -3.7529 -3.7520 -3.7440 -3.7428 0.0091 0.0215 0.0585 0.0705 0.0997 0.1258 0.1551 0.1697 0.1833 0.2102 0.2110 0.3104 0.3220 0.3313 0.3537 0.3793 0.4429 0.4506 0.4853 0.5120 0.5186 0.5278 0.5339 0.5472 0.5727 0.5817 0.5920 0.6460 0.6650 0.6765 1.9634 2.0323 3.0678 3.1480 3.3599 3.3816 4.3083 4.4902 4.6319 4.6663 5.6603 5.6743 5.9247 6.1084 6.1284 6.2708 6.6900 7.0597 9.2712 9.2848 10.0698 10.1210 10.3976 10.4032 10.6398 10.6416 10.8765 10.9571 k = 0.3068 0.1771-0.0000 ( 4983 PWs) bands (ev): -4.5498 -4.5486 -3.7338 -3.7329 -3.7276 -3.7264 0.0107 0.0233 0.0589 0.0732 0.0998 0.1281 0.1557 0.1693 0.1852 0.2136 0.2146 0.3148 0.3224 0.3326 0.3542 0.3793 0.4453 0.4556 0.4847 0.5136 0.5194 0.5303 0.5341 0.5494 0.5736 0.5855 0.5949 0.6541 0.6684 0.6836 1.9021 1.9676 3.0718 3.1512 3.2376 3.2568 4.3011 4.4835 4.5856 4.6068 5.6237 5.6425 5.8889 6.0779 6.0978 6.2440 6.6308 7.0043 9.2315 9.2491 9.9722 10.0209 10.3761 10.3810 10.5792 10.5808 10.8038 10.8796 k = 0.3182 0.1837-0.0000 ( 4977 PWs) bands (ev): -4.5081 -4.5069 -3.7151 -3.7142 -3.7123 -3.7109 0.0122 0.0250 0.0591 0.0760 0.0994 0.1305 0.1566 0.1688 0.1872 0.2172 0.2187 0.3182 0.3227 0.3342 0.3549 0.3793 0.4474 0.4601 0.4843 0.5152 0.5202 0.5332 0.5345 0.5517 0.5745 0.5899 0.5981 0.6629 0.6716 0.6911 1.8423 1.9043 3.0708 3.1118 3.1360 3.1554 4.2906 4.4657 4.5544 4.5690 5.5890 5.6126 5.8548 6.0483 6.0691 6.2190 6.5725 6.9491 9.1919 9.2138 9.8777 9.9217 10.3510 10.3516 10.5179 10.5224 10.7431 10.8117 k = 0.3295 0.1903-0.0000 ( 4984 PWs) bands (ev): -4.4663 -4.4651 -3.6984 -3.6980 -3.6957 -3.6957 0.0137 0.0267 0.0592 0.0790 0.0986 0.1328 0.1578 0.1683 0.1891 0.2210 0.2235 0.3204 0.3230 0.3361 0.3556 0.3791 0.4489 0.4638 0.4842 0.5167 0.5209 0.5348 0.5364 0.5542 0.5753 0.5950 0.6014 0.6718 0.6747 0.6989 1.7849 1.8433 2.9972 3.0135 3.0701 3.1459 4.2770 4.4326 4.5382 4.5569 5.5561 5.5845 5.8227 6.0194 6.0422 6.1958 6.5155 6.8944 9.1528 9.1791 9.7866 9.8248 10.3148 10.3207 10.4583 10.4643 10.6956 10.7546 k = 0.3409 0.1968-0.0000 ( 4980 PWs) bands (ev): -4.4245 -4.4233 -3.6856 -3.6846 -3.6785 -3.6779 0.0151 0.0285 0.0590 0.0820 0.0975 0.1350 0.1592 0.1678 0.1911 0.2248 0.2287 0.3217 0.3233 0.3381 0.3564 0.3788 0.4498 0.4669 0.4848 0.5183 0.5217 0.5353 0.5398 0.5567 0.5761 0.6010 0.6050 0.6762 0.6825 0.7072 1.7306 1.7854 2.8836 2.8995 3.0596 3.1326 4.2622 4.3948 4.5345 4.5598 5.5251 5.5581 5.7926 5.9912 6.0172 6.1743 6.4604 6.8405 9.1140 9.1450 9.6999 9.7313 10.2716 10.2846 10.4009 10.4073 10.6604 10.7087 k = 0.3523 0.2034-0.0000 ( 4976 PWs) bands (ev): -4.3830 -4.3817 -3.6744 -3.6732 -3.6615 -3.6608 0.0165 0.0302 0.0587 0.0852 0.0960 0.1370 0.1609 0.1673 0.1930 0.2285 0.2343 0.3223 0.3237 0.3400 0.3572 0.3784 0.4499 0.4692 0.4861 0.5198 0.5225 0.5358 0.5433 0.5593 0.5768 0.6080 0.6087 0.6779 0.6927 0.7156 1.6804 1.7313 2.7735 2.7881 3.0455 3.1137 4.2490 4.3605 4.5401 4.5692 5.4962 5.5335 5.7647 5.9638 5.9941 6.1541 6.4079 6.7875 9.0757 9.1115 9.6180 9.6421 10.2236 10.2425 10.3469 10.3527 10.6351 10.6730 k = 0.3636 0.2099-0.0000 ( 4972 PWs) bands (ev): -4.3420 -4.3406 -3.6647 -3.6635 -3.6452 -3.6445 0.0180 0.0320 0.0582 0.0882 0.0943 0.1387 0.1630 0.1672 0.1948 0.2319 0.2402 0.3223 0.3242 0.3417 0.3581 0.3778 0.4492 0.4707 0.4881 0.5213 0.5232 0.5363 0.5466 0.5619 0.5775 0.6126 0.6159 0.6786 0.7035 0.7242 1.6349 1.6818 2.6671 2.6803 3.0272 3.0897 4.2395 4.3323 4.5517 4.5818 5.4693 5.5105 5.7392 5.9372 5.9730 6.1348 6.3589 6.7356 9.0379 9.0784 9.5417 9.5582 10.1727 10.1956 10.2973 10.3019 10.6169 10.6459 k = 0.3750 0.2165-0.0000 ( 4982 PWs) bands (ev): -4.3016 -4.3003 -3.6568 -3.6556 -3.6298 -3.6291 0.0194 0.0338 0.0576 0.0905 0.0930 0.1399 0.1654 0.1673 0.1964 0.2349 0.2463 0.3219 0.3248 0.3431 0.3589 0.3771 0.4479 0.4714 0.4906 0.5227 0.5238 0.5367 0.5497 0.5645 0.5781 0.6166 0.6245 0.6784 0.7145 0.7328 1.5948 1.6374 2.5648 2.5767 3.0052 3.0614 4.2345 4.3108 4.5672 4.5961 5.4447 5.4891 5.7162 5.9112 5.9539 6.1156 6.3146 6.6852 9.0007 9.0456 9.4715 9.4804 10.1210 10.1456 10.2526 10.2554 10.6035 10.6255 k = 0.3864 0.2231-0.0000 ( 4994 PWs) bands (ev): -4.2624 -4.2610 -3.6506 -3.6494 -3.6153 -3.6146 0.0208 0.0356 0.0569 0.0893 0.0950 0.1406 0.1679 0.1681 0.1979 0.2372 0.2525 0.3212 0.3256 0.3443 0.3598 0.3762 0.4461 0.4713 0.4935 0.5241 0.5243 0.5370 0.5526 0.5671 0.5785 0.6206 0.6337 0.6772 0.7257 0.7413 1.5608 1.5990 2.4667 2.4773 2.9802 3.0300 4.2340 4.2957 4.5849 4.6111 5.4223 5.4692 5.6959 5.8859 5.9369 6.0955 6.2765 6.6363 8.9641 9.0128 9.4079 9.4095 10.0700 10.0949 10.2125 10.2136 10.5935 10.6100 k = 0.3977 0.2296-0.0000 ( 4990 PWs) bands (ev): -4.2244 -4.2231 -3.6461 -3.6449 -3.6019 -3.6012 0.0224 0.0374 0.0562 0.0870 0.0980 0.1407 0.1692 0.1712 0.1991 0.2387 0.2586 0.3201 0.3267 0.3454 0.3606 0.3751 0.4442 0.4706 0.4966 0.5248 0.5255 0.5373 0.5554 0.5697 0.5790 0.6245 0.6432 0.6750 0.7367 0.7496 1.5335 1.5669 2.3733 2.3825 2.9534 2.9968 4.2374 4.2863 4.6034 4.6263 5.4023 5.4508 5.6783 5.8610 5.9219 6.0734 6.2461 6.5892 8.9286 8.9797 9.3464 9.3512 10.0214 10.0453 10.1762 10.1765 10.5857 10.5981 k = 0.4091 0.2362-0.0000 ( 4984 PWs) bands (ev): -4.1882 -4.1869 -3.6435 -3.6423 -3.5896 -3.5890 0.0240 0.0392 0.0555 0.0845 0.1010 0.1403 0.1709 0.1747 0.2001 0.2394 0.2645 0.3189 0.3281 0.3466 0.3615 0.3739 0.4423 0.4692 0.4998 0.5252 0.5268 0.5374 0.5580 0.5723 0.5793 0.6280 0.6524 0.6721 0.7474 0.7574 1.5130 1.5416 2.2848 2.2928 2.9259 2.9630 4.2438 4.2816 4.6220 4.6413 5.3849 5.4339 5.6638 5.8366 5.9091 6.0490 6.2244 6.5440 8.8945 8.9465 9.2916 9.3014 9.9762 9.9985 10.1431 10.1444 10.5796 10.5889 k = 0.4205 0.2427-0.0000 ( 4988 PWs) bands (ev): -4.1542 -4.1529 -3.6424 -3.6412 -3.5785 -3.5780 0.0257 0.0408 0.0548 0.0819 0.1039 0.1392 0.1732 0.1784 0.2008 0.2390 0.2702 0.3173 0.3298 0.3476 0.3623 0.3726 0.4407 0.4672 0.5030 0.5254 0.5282 0.5374 0.5605 0.5749 0.5794 0.6306 0.6610 0.6690 0.7575 0.7647 1.4997 1.5234 2.2016 2.2084 2.8986 2.9299 4.2522 4.2806 4.6399 4.6554 5.3702 5.4182 5.6523 5.8125 5.8984 6.0229 6.2109 6.5010 8.8625 8.9134 9.2453 9.2584 9.9352 9.9554 10.1142 10.1160 10.5748 10.5817 k = 0.4318 0.2493-0.0000 ( 4978 PWs) bands (ev): -4.1227 -4.1215 -3.6427 -3.6416 -3.5688 -3.5683 0.0275 0.0422 0.0544 0.0792 0.1068 0.1377 0.1758 0.1825 0.2012 0.2376 0.2756 0.3155 0.3318 0.3487 0.3630 0.3712 0.4394 0.4647 0.5060 0.5254 0.5294 0.5373 0.5630 0.5775 0.5795 0.6315 0.6666 0.6684 0.7668 0.7715 1.4932 1.5122 2.1243 2.1299 2.8728 2.8987 4.2617 4.2823 4.6564 4.6684 5.3583 5.4039 5.6442 5.7887 5.8900 5.9966 6.2049 6.4602 8.8333 8.8809 9.2074 9.2221 9.8990 9.9168 10.0893 10.0914 10.5708 10.5760 k = 0.4432 0.2559-0.0000 ( 4974 PWs) bands (ev): -4.0944 -4.0933 -3.6442 -3.6432 -3.5604 -3.5600 0.0293 0.0432 0.0544 0.0765 0.1097 0.1359 0.1787 0.1868 0.2013 0.2353 0.2805 0.3135 0.3340 0.3496 0.3637 0.3698 0.4386 0.4618 0.5089 0.5252 0.5307 0.5371 0.5655 0.5794 0.5803 0.6300 0.6659 0.6744 0.7751 0.7776 1.4930 1.5078 2.0537 2.0581 2.8495 2.8704 4.2713 4.2856 4.6711 4.6800 5.3492 5.3907 5.6394 5.7654 5.8838 5.9716 6.2049 6.4219 8.8077 8.8502 9.1774 9.1918 9.8681 9.8833 10.0683 10.0704 10.5677 10.5715 k = 0.4545 0.2624-0.0000 ( 4964 PWs) bands (ev): -4.0698 -4.0689 -3.6464 -3.6456 -3.5534 -3.5531 0.0312 0.0434 0.0551 0.0737 0.1125 0.1338 0.1817 0.1911 0.2012 0.2321 0.2852 0.3113 0.3365 0.3502 0.3643 0.3686 0.4385 0.4584 0.5117 0.5248 0.5318 0.5369 0.5680 0.5791 0.5834 0.6261 0.6671 0.6786 0.7821 0.7830 1.4983 1.5093 1.9907 1.9941 2.8294 2.8457 4.2802 4.2898 4.6836 4.6898 5.3431 5.3788 5.6381 5.7428 5.8801 5.9490 6.2101 6.3861 8.7865 8.8223 9.1544 9.1674 9.8428 9.8551 10.0513 10.0532 10.5653 10.5680 k = 0.4659 0.2690-0.0000 ( 4956 PWs) bands (ev): -4.0496 -4.0489 -3.6490 -3.6483 -3.5480 -3.5477 0.0331 0.0428 0.0565 0.0710 0.1154 0.1315 0.1847 0.1946 0.2017 0.2281 0.2894 0.3088 0.3392 0.3503 0.3648 0.3675 0.4390 0.4550 0.5142 0.5241 0.5328 0.5366 0.5703 0.5786 0.5870 0.6205 0.6697 0.6810 0.7876 0.7876 1.5075 1.5151 1.9370 1.9394 2.8134 2.8253 4.2879 4.2939 4.6936 4.6977 5.3397 5.3682 5.6403 5.7212 5.8787 5.9295 6.2197 6.3530 8.7704 8.7982 9.1379 9.1484 9.8232 9.8325 10.0381 10.0397 10.5635 10.5654 k = 0.4773 0.2756-0.0000 ( 4954 PWs) bands (ev): -4.0345 -4.0340 -3.6512 -3.6507 -3.5440 -3.5439 0.0350 0.0418 0.0584 0.0683 0.1182 0.1290 0.1876 0.1957 0.2043 0.2236 0.2933 0.3062 0.3418 0.3497 0.3653 0.3667 0.4403 0.4514 0.5165 0.5232 0.5337 0.5361 0.5724 0.5779 0.5911 0.6141 0.6729 0.6817 0.7912 0.7915 1.5182 1.5230 1.8948 1.8964 2.8021 2.8099 4.2938 4.2972 4.7009 4.7034 5.3391 5.3589 5.6461 5.7011 5.8799 5.9132 6.2334 6.3228 8.7599 8.7788 9.1271 9.1345 9.8096 9.8158 10.0288 10.0300 10.5623 10.5635 k = 0.4886 0.2821-0.0000 ( 4954 PWs) bands (ev): -4.0251 -4.0249 -3.6528 -3.6525 -3.5416 -3.5416 0.0369 0.0404 0.0606 0.0656 0.1210 0.1264 0.1903 0.1947 0.2087 0.2187 0.2969 0.3033 0.3443 0.3484 0.3656 0.3662 0.4423 0.4480 0.5186 0.5219 0.5345 0.5357 0.5742 0.5770 0.5959 0.6076 0.6761 0.6809 0.7935 0.7938 1.5273 1.5296 1.8674 1.8681 2.7958 2.7997 4.2977 4.2992 4.7055 4.7067 5.3410 5.3511 5.6553 5.6832 5.8838 5.9003 6.2507 6.2956 8.7554 8.7650 9.1217 9.1254 9.8020 9.8051 10.0234 10.0240 10.5617 10.5623 k = 0.5000 0.2887-0.0000 ( 4954 PWs) bands (ev): -4.0219 -4.0219 -3.6533 -3.6533 -3.5408 -3.5408 0.0387 0.0387 0.0631 0.0631 0.1237 0.1237 0.1928 0.1928 0.2137 0.2137 0.3002 0.3002 0.3466 0.3466 0.3659 0.3659 0.4449 0.4449 0.5204 0.5204 0.5351 0.5351 0.5757 0.5757 0.6015 0.6015 0.6789 0.6789 0.7944 0.7944 1.5316 1.5316 1.8580 1.8580 2.7950 2.7950 4.2995 4.2995 4.7074 4.7074 5.3451 5.3451 5.6678 5.6678 5.8905 5.8905 6.2715 6.2715 8.7571 8.7571 9.1211 9.1211 9.8005 9.8005 10.0218 10.0218 10.5617 10.5617 k = 0.5000 0.2887-0.0000 ( 4954 PWs) bands (ev): -4.0219 -4.0219 -3.6533 -3.6533 -3.5408 -3.5408 0.0387 0.0387 0.0631 0.0631 0.1237 0.1237 0.1928 0.1928 0.2137 0.2137 0.3002 0.3002 0.3466 0.3466 0.3659 0.3659 0.4449 0.4449 0.5204 0.5204 0.5351 0.5351 0.5757 0.5757 0.6015 0.6015 0.6789 0.6789 0.7944 0.7944 1.5316 1.5316 1.8580 1.8580 2.7950 2.7950 4.2995 4.2995 4.7074 4.7074 5.3451 5.3451 5.6678 5.6678 5.8905 5.8905 6.2715 6.2715 8.7571 8.7571 9.1211 9.1211 9.8005 9.8005 10.0218 10.0218 10.5617 10.5617 k = 0.4933 0.3002-0.0000 ( 4950 PWs) bands (ev): -4.0212 -4.0212 -3.6532 -3.6531 -3.5406 -3.5405 0.0386 0.0386 0.0625 0.0637 0.1187 0.1284 0.1921 0.1932 0.2122 0.2158 0.2991 0.3014 0.3451 0.3481 0.3633 0.3685 0.4384 0.4515 0.5199 0.5205 0.5338 0.5367 0.5731 0.5785 0.5968 0.6066 0.6780 0.6802 0.7937 0.7952 1.5316 1.5338 1.8561 1.8612 2.7954 2.7965 4.2791 4.2961 4.7088 4.7088 5.3492 5.3542 5.6650 5.6692 5.8811 5.8850 6.2635 6.2643 8.7510 8.7616 9.1336 9.1377 9.7997 9.8056 10.0298 10.0392 10.5513 10.5700 k = 0.4867 0.3118-0.0000 ( 4960 PWs) bands (ev): -4.0192 -4.0192 -3.6528 -3.6526 -3.5399 -3.5397 0.0383 0.0383 0.0621 0.0644 0.1134 0.1328 0.1913 0.1933 0.2111 0.2184 0.2982 0.3026 0.3435 0.3496 0.3607 0.3711 0.4320 0.4581 0.5192 0.5200 0.5331 0.5384 0.5705 0.5810 0.5926 0.6121 0.6774 0.6818 0.7930 0.7961 1.5337 1.5383 1.8556 1.8658 2.7976 2.8000 4.2378 4.2690 4.7112 4.7136 5.3664 5.3742 5.6595 5.6706 5.8569 5.8658 6.2412 6.2424 8.7435 8.7647 9.1742 9.1827 9.8050 9.8139 10.0628 10.0798 10.5392 10.5772 k = 0.4800 0.3233-0.0000 ( 4960 PWs) bands (ev): -4.0160 -4.0159 -3.6521 -3.6519 -3.5387 -3.5384 0.0377 0.0378 0.0617 0.0653 0.1079 0.1368 0.1904 0.1931 0.2104 0.2215 0.2974 0.3037 0.3418 0.3511 0.3581 0.3736 0.4259 0.4647 0.5185 0.5187 0.5330 0.5399 0.5682 0.5824 0.5901 0.6178 0.6773 0.6837 0.7925 0.7970 1.5382 1.5451 1.8565 1.8718 2.8017 2.8052 4.1799 4.2212 4.7130 4.7212 5.3946 5.4003 5.6488 5.6731 5.8187 5.8357 6.2072 6.2077 8.7349 8.7667 9.2407 9.2540 9.8175 9.8257 10.1174 10.1402 10.5271 10.5856 k = 0.4733 0.3349-0.0000 ( 4964 PWs) bands (ev): -4.0114 -4.0113 -3.6511 -3.6509 -3.5370 -3.5367 0.0370 0.0372 0.0614 0.0663 0.1022 0.1404 0.1895 0.1927 0.2101 0.2250 0.2969 0.3047 0.3402 0.3527 0.3556 0.3760 0.4201 0.4711 0.5168 0.5178 0.5336 0.5412 0.5661 0.5809 0.5909 0.6238 0.6777 0.6859 0.7920 0.7980 1.5448 1.5541 1.8586 1.8792 2.8075 2.8121 4.1094 4.1572 4.7131 4.7305 5.4263 5.4300 5.6283 5.6788 5.7685 5.8005 6.1633 6.1651 8.7258 8.7676 9.3301 9.3487 9.8366 9.8407 10.1887 10.2167 10.5189 10.5991 k = 0.4667 0.3464-0.0000 ( 4972 PWs) bands (ev): -4.0056 -4.0054 -3.6500 -3.6497 -3.5348 -3.5344 0.0361 0.0364 0.0611 0.0674 0.0965 0.1437 0.1886 0.1921 0.2101 0.2289 0.2967 0.3056 0.3384 0.3531 0.3543 0.3782 0.4147 0.4771 0.5144 0.5171 0.5346 0.5422 0.5642 0.5778 0.5937 0.6300 0.6785 0.6883 0.7916 0.7991 1.5537 1.5653 1.8621 1.8879 2.8149 2.8206 4.0299 4.0814 4.7106 4.7402 5.4450 5.4683 5.5922 5.6882 5.7107 5.7679 6.1131 6.1190 8.7164 8.7677 9.4389 9.4633 9.8572 9.8595 10.2716 10.3040 10.5218 10.6236 k = 0.4600 0.3580-0.0000 ( 4968 PWs) bands (ev): -3.9985 -3.9983 -3.6486 -3.6483 -3.5322 -3.5318 0.0351 0.0354 0.0609 0.0687 0.0907 0.1465 0.1877 0.1913 0.2104 0.2331 0.2967 0.3063 0.3367 0.3508 0.3559 0.3802 0.4098 0.4828 0.5118 0.5166 0.5359 0.5429 0.5626 0.5745 0.5972 0.6364 0.6798 0.6910 0.7914 0.8002 1.5648 1.5789 1.8668 1.8980 2.8237 2.8304 3.9441 3.9973 4.7045 4.7495 5.4502 5.5005 5.5416 5.6392 5.7121 5.7439 6.0617 6.0734 8.7069 8.7669 9.5629 9.5942 9.8722 9.8818 10.3600 10.3915 10.5502 10.6669 k = 0.4533 0.3695-0.0000 ( 4966 PWs) bands (ev): -3.9902 -3.9899 -3.6472 -3.6467 -3.5293 -3.5287 0.0339 0.0344 0.0607 0.0700 0.0850 0.1490 0.1867 0.1904 0.2110 0.2375 0.2970 0.3068 0.3349 0.3485 0.3576 0.3817 0.4056 0.4880 0.5091 0.5161 0.5373 0.5433 0.5613 0.5712 0.6009 0.6427 0.6817 0.6940 0.7913 0.8014 1.5781 1.5948 1.8726 1.9093 2.8336 2.8412 3.8543 3.9077 4.6934 4.7571 5.4398 5.4599 5.5399 5.5677 5.7291 5.7382 6.0145 6.0331 8.6971 8.7650 9.6958 9.7376 9.8825 9.9006 10.4494 10.4644 10.6236 10.7363 k = 0.4467 0.3811-0.0000 ( 4966 PWs) bands (ev): -3.9807 -3.9805 -3.6456 -3.6452 -3.5259 -3.5253 0.0326 0.0333 0.0604 0.0712 0.0796 0.1512 0.1857 0.1894 0.2121 0.2421 0.2976 0.3070 0.3331 0.3463 0.3594 0.3825 0.4024 0.4924 0.5064 0.5157 0.5388 0.5433 0.5603 0.5683 0.6049 0.6490 0.6841 0.6972 0.7912 0.8026 1.5937 1.6129 1.8796 1.9219 2.8443 2.8525 3.7624 3.8149 4.6756 4.7618 5.3822 5.4161 5.4934 5.5478 5.7259 5.7671 5.9769 6.0024 8.6866 8.7616 9.8167 9.8768 9.8990 9.9293 10.5311 10.5392 10.7371 10.8339 k = 0.4400 0.3926-0.0000 ( 4968 PWs) bands (ev): -3.9701 -3.9698 -3.6441 -3.6436 -3.5223 -3.5217 0.0312 0.0321 0.0601 0.0711 0.0756 0.1531 0.1846 0.1883 0.2135 0.2467 0.2983 0.3071 0.3314 0.3442 0.3612 0.3824 0.4005 0.4958 0.5041 0.5154 0.5403 0.5431 0.5595 0.5656 0.6090 0.6552 0.6870 0.7007 0.7913 0.8038 1.6115 1.6334 1.8877 1.9357 2.8555 2.8639 3.6699 3.7206 4.6494 4.7613 5.3012 5.3845 5.4173 5.5297 5.7366 5.7926 5.9532 5.9855 8.6750 8.7559 9.8562 9.8784 10.0327 10.0506 10.6102 10.6339 10.8721 10.9554 k = 0.4333 0.4041-0.0000 ( 4960 PWs) bands (ev): -3.9585 -3.9582 -3.6426 -3.6421 -3.5185 -3.5177 0.0298 0.0309 0.0599 0.0671 0.0758 0.1547 0.1834 0.1872 0.2155 0.2514 0.2991 0.3070 0.3297 0.3421 0.3631 0.3812 0.4000 0.4970 0.5033 0.5151 0.5418 0.5427 0.5589 0.5632 0.6133 0.6610 0.6903 0.7045 0.7915 0.8050 1.6315 1.6562 1.8967 1.9505 2.8666 2.8745 3.5784 3.6261 4.6133 4.7524 5.2237 5.3384 5.3524 5.4890 5.7553 5.8100 5.9446 5.9848 8.6615 8.7474 9.8459 9.8670 10.1773 10.2098 10.7077 10.7382 11.0194 11.0942 k = 0.4267 0.4157-0.0000 ( 4964 PWs) bands (ev): -3.9458 -3.9455 -3.6414 -3.6408 -3.5144 -3.5136 0.0282 0.0298 0.0595 0.0621 0.0773 0.1560 0.1820 0.1859 0.2179 0.2560 0.2998 0.3066 0.3282 0.3402 0.3648 0.3792 0.4006 0.4951 0.5046 0.5148 0.5423 0.5433 0.5585 0.5612 0.6178 0.6664 0.6941 0.7086 0.7919 0.8063 1.6536 1.6813 1.9065 1.9663 2.8770 2.8836 3.4892 3.5328 4.5670 4.7315 5.1547 5.2573 5.3246 5.4361 5.7745 5.8187 5.9497 5.9984 8.6455 8.7351 9.8241 9.8514 10.3234 10.3640 10.8225 10.8541 11.1751 11.2453 k = 0.4200 0.4272-0.0000 ( 4974 PWs) bands (ev): -3.9323 -3.9319 -3.6404 -3.6398 -3.5102 -3.5094 0.0266 0.0286 0.0571 0.0590 0.0789 0.1571 0.1805 0.1847 0.2208 0.2605 0.3004 0.3062 0.3268 0.3384 0.3664 0.3770 0.4019 0.4922 0.5062 0.5143 0.5419 0.5447 0.5581 0.5595 0.6224 0.6712 0.6981 0.7129 0.7923 0.8075 1.6778 1.7086 1.9170 1.9829 2.8862 2.8896 3.4040 3.4417 4.5117 4.6956 5.0967 5.1733 5.3054 5.3804 5.7906 5.8217 5.9652 6.0208 8.6266 8.7184 9.7997 9.8347 10.4574 10.5037 10.9514 10.9814 11.3371 11.4050 k = 0.4133 0.4388-0.0000 ( 4974 PWs) bands (ev): -3.9178 -3.9174 -3.6398 -3.6392 -3.5059 -3.5050 0.0249 0.0276 0.0524 0.0584 0.0805 0.1580 0.1790 0.1835 0.2243 0.2649 0.3007 0.3058 0.3258 0.3367 0.3675 0.3751 0.4037 0.4890 0.5074 0.5138 0.5416 0.5460 0.5577 0.5582 0.6270 0.6755 0.7024 0.7175 0.7929 0.8088 1.7039 1.7380 1.9282 1.9999 2.8912 2.8932 3.3244 3.3538 4.4501 4.6459 5.0469 5.0872 5.2953 5.3303 5.8034 5.8226 5.9870 6.0465 8.6043 8.6968 9.7771 9.8195 10.5659 10.6152 11.0904 11.1187 11.5035 11.5706 k = 0.4067 0.4503-0.0000 ( 4974 PWs) bands (ev): -3.9026 -3.9022 -3.6398 -3.6392 -3.5016 -3.5007 0.0233 0.0267 0.0480 0.0578 0.0822 0.1588 0.1774 0.1823 0.2282 0.2689 0.3007 0.3053 0.3251 0.3351 0.3672 0.3746 0.4057 0.4855 0.5082 0.5132 0.5414 0.5473 0.5571 0.5573 0.6318 0.6791 0.7068 0.7222 0.7937 0.8100 1.7319 1.7696 1.9397 2.0173 2.8861 2.8970 3.2524 3.2701 4.3858 4.5868 4.9982 5.0002 5.2929 5.2935 5.8140 5.8233 6.0115 6.0722 8.5787 8.6699 9.7592 9.8079 10.6338 10.6827 11.2353 11.2641 11.6452 11.6747 k = 0.4000 0.4619-0.0000 ( 4974 PWs) bands (ev): -3.8867 -3.8863 -3.6404 -3.6398 -3.4973 -3.4964 0.0216 0.0260 0.0440 0.0570 0.0838 0.1594 0.1758 0.1811 0.2325 0.2726 0.3003 0.3050 0.3246 0.3337 0.3655 0.3755 0.4080 0.4818 0.5086 0.5124 0.5415 0.5484 0.5564 0.5569 0.6367 0.6821 0.7112 0.7269 0.7947 0.8112 1.7613 1.8030 1.9516 2.0345 2.8724 2.8966 3.1896 3.1919 4.3224 4.5246 4.9134 4.9442 5.2718 5.2986 5.8235 5.8248 6.0362 6.0957 8.5500 8.6382 9.7479 9.8015 10.6527 10.6991 11.3840 11.4165 11.7202 11.7602 k = 0.3933 0.4734-0.0000 ( 4978 PWs) bands (ev): -3.8702 -3.8698 -3.6417 -3.6412 -3.4931 -3.4923 0.0200 0.0255 0.0403 0.0560 0.0852 0.1599 0.1743 0.1800 0.2372 0.2759 0.2996 0.3049 0.3243 0.3326 0.3632 0.3771 0.4105 0.4780 0.5087 0.5114 0.5418 0.5495 0.5558 0.5565 0.6415 0.6844 0.7155 0.7313 0.7959 0.8123 1.7918 1.8381 1.9636 2.0512 2.8492 2.8904 3.1204 3.1369 4.2637 4.4643 4.8277 4.8839 5.2660 5.3087 5.8276 5.8325 6.0592 6.1160 8.5190 8.6023 9.7439 9.8012 10.6293 10.6729 11.5373 11.5752 11.8437 11.8857 k = 0.3867 0.4850-0.0000 ( 4968 PWs) bands (ev): -3.8532 -3.8528 -3.6441 -3.6436 -3.4891 -3.4883 0.0183 0.0252 0.0371 0.0549 0.0866 0.1603 0.1730 0.1789 0.2422 0.2785 0.2987 0.3051 0.3241 0.3317 0.3606 0.3789 0.4131 0.4740 0.5085 0.5104 0.5423 0.5504 0.5555 0.5561 0.6464 0.6863 0.7197 0.7354 0.7974 0.8133 1.8230 1.8746 1.9757 2.0668 2.8176 2.8768 3.0573 3.0927 4.2126 4.4099 4.7442 4.8195 5.2713 5.3223 5.8318 5.8414 6.0794 6.1321 8.4866 8.5634 9.7477 9.8074 10.5783 10.6198 11.6957 11.7392 11.9972 12.0417 k = 0.3800 0.4965-0.0000 ( 4976 PWs) bands (ev): -3.8359 -3.8354 -3.6475 -3.6471 -3.4853 -3.4845 0.0168 0.0251 0.0344 0.0537 0.0878 0.1606 0.1718 0.1778 0.2473 0.2804 0.2975 0.3058 0.3238 0.3312 0.3578 0.3806 0.4159 0.4699 0.5082 0.5093 0.5430 0.5512 0.5552 0.5555 0.6513 0.6875 0.7235 0.7390 0.7991 0.8142 1.8540 1.9121 1.9881 2.0807 2.7812 2.8544 3.0045 3.0541 4.1717 4.3639 4.6636 4.7541 5.2839 5.3376 5.8378 5.8506 6.0960 6.1434 8.4541 8.5231 9.7589 9.8203 10.5125 10.5524 11.8578 11.9066 12.1651 12.2138 k = 0.3733 0.5081-0.0000 ( 4976 PWs) bands (ev): -3.8183 -3.8178 -3.6521 -3.6519 -3.4817 -3.4811 0.0153 0.0252 0.0321 0.0523 0.0889 0.1608 0.1708 0.1768 0.2525 0.2816 0.2963 0.3070 0.3233 0.3310 0.3550 0.3824 0.4189 0.4657 0.5077 0.5081 0.5439 0.5518 0.5550 0.5551 0.6561 0.6882 0.7269 0.7420 0.8011 0.8150 1.8835 1.9499 2.0011 2.0923 2.7440 2.8232 2.9626 3.0178 4.1425 4.3279 4.5869 4.6903 5.3007 5.3534 5.8460 5.8604 6.1084 6.1497 8.4229 8.4830 9.7770 9.8396 10.4404 10.4791 12.0207 12.0748 12.3361 12.3917 k = 0.3667 0.5196-0.0000 ( 4976 PWs) bands (ev): -3.8006 -3.8001 -3.6582 -3.6580 -3.4786 -3.4780 0.0139 0.0256 0.0302 0.0508 0.0898 0.1610 0.1700 0.1759 0.2577 0.2820 0.2952 0.3086 0.3227 0.3312 0.3521 0.3839 0.4221 0.4613 0.5070 0.5072 0.5449 0.5522 0.5544 0.5551 0.6608 0.6883 0.7299 0.7443 0.8033 0.8156 1.9098 1.9870 2.0154 2.1010 2.7096 2.7862 2.9299 2.9822 4.1257 4.3024 4.5149 4.6300 5.3194 5.3683 5.8566 5.8710 6.1161 6.1506 8.3943 8.4449 9.8011 9.8650 10.3672 10.4044 12.1805 12.2406 12.5002 12.5667 k = 0.3600 0.5312-0.0000 ( 4982 PWs) bands (ev): -3.7828 -3.7823 -3.6658 -3.6657 -3.4758 -3.4753 0.0128 0.0261 0.0289 0.0493 0.0905 0.1611 0.1696 0.1749 0.2626 0.2819 0.2942 0.3106 0.3220 0.3316 0.3492 0.3853 0.4254 0.4570 0.5060 0.5067 0.5459 0.5523 0.5538 0.5553 0.6653 0.6880 0.7323 0.7460 0.8056 0.8159 1.9313 2.0221 2.0317 2.1066 2.6804 2.7477 2.9041 2.9476 4.1208 4.2871 4.4485 4.5749 5.3384 5.3809 5.8697 5.8825 6.1190 6.1463 8.3698 8.4103 9.8303 9.8960 10.2963 10.3313 12.3328 12.4002 12.6456 12.7298 k = 0.3533 0.5427-0.0000 ( 4978 PWs) bands (ev): -3.7652 -3.7647 -3.6751 -3.6750 -3.4736 -3.4732 0.0118 0.0267 0.0279 0.0478 0.0910 0.1612 0.1694 0.1740 0.2672 0.2813 0.2933 0.3126 0.3213 0.3324 0.3462 0.3864 0.4289 0.4527 0.5052 0.5062 0.5471 0.5522 0.5532 0.5555 0.6697 0.6870 0.7342 0.7472 0.8080 0.8160 1.9469 2.0495 2.0532 2.1094 2.6579 2.7113 2.8839 2.9157 4.1265 4.2807 4.3888 4.5270 5.3561 5.3903 5.8850 5.8947 6.1176 6.1374 8.3504 8.3806 9.8631 9.9319 10.2304 10.2619 12.4720 12.5486 12.7574 12.8680 k = 0.3467 0.5543-0.0000 ( 4974 PWs) bands (ev): -3.7479 -3.7474 -3.6863 -3.6861 -3.4719 -3.4716 0.0111 0.0273 0.0274 0.0465 0.0914 0.1612 0.1697 0.1731 0.2711 0.2802 0.2927 0.3147 0.3205 0.3335 0.3432 0.3872 0.4325 0.4484 0.5047 0.5057 0.5484 0.5519 0.5525 0.5557 0.6738 0.6855 0.7355 0.7479 0.8102 0.8157 1.9569 2.0666 2.0769 2.1107 2.6431 2.6798 2.8696 2.8891 4.1402 4.2809 4.3378 4.4884 5.3716 5.3956 5.9014 5.9069 6.1127 6.1253 8.3372 8.3571 9.8969 9.9718 10.1726 10.1977 12.5910 12.6786 12.8210 12.9628 k = 0.3400 0.5658-0.0000 ( 4974 PWs) bands (ev): -3.7309 -3.7304 -3.6994 -3.6990 -3.4707 -3.4706 0.0107 0.0272 0.0276 0.0455 0.0915 0.1613 0.1702 0.1721 0.2743 0.2788 0.2924 0.3166 0.3195 0.3352 0.3403 0.3877 0.4363 0.4442 0.5046 0.5052 0.5497 0.5515 0.5518 0.5559 0.6775 0.6834 0.7362 0.7483 0.8122 0.8150 1.9624 2.0802 2.0883 2.1135 2.6371 2.6557 2.8619 2.8705 4.1568 4.2838 4.2998 4.4626 5.3838 5.3963 5.9157 5.9172 6.1065 6.1133 8.3309 8.3406 9.9262 10.0128 10.1291 10.1420 12.6792 12.7779 12.8349 13.0013 k = 0.3333 0.5774-0.0000 ( 4956 PWs) bands (ev): -3.7146 -3.7146 -3.7144 -3.7134 -3.4703 -3.4703 0.0106 0.0275 0.0275 0.0452 0.0916 0.1613 0.1711 0.1711 0.2769 0.2769 0.2924 0.3182 0.3182 0.3376 0.3376 0.3879 0.4402 0.4402 0.5048 0.5048 0.5510 0.5510 0.5512 0.5560 0.6808 0.6808 0.7365 0.7484 0.8139 0.8139 1.9642 2.0879 2.0879 2.1159 2.6411 2.6411 2.8617 2.8617 4.1653 4.2849 4.2849 4.4534 5.3923 5.3923 5.9219 5.9219 6.1033 6.1076 8.3319 8.3319 9.9389 10.0380 10.1117 10.1117 12.7159 12.8236 12.8236 13.0041 k = 0.3333 0.5774-0.0000 ( 4956 PWs) bands (ev): -3.7146 -3.7146 -3.7144 -3.7134 -3.4703 -3.4703 0.0106 0.0275 0.0275 0.0452 0.0916 0.1613 0.1711 0.1711 0.2769 0.2769 0.2924 0.3182 0.3182 0.3376 0.3376 0.3879 0.4402 0.4402 0.5048 0.5048 0.5510 0.5510 0.5512 0.5560 0.6808 0.6808 0.7365 0.7484 0.8139 0.8139 1.9642 2.0879 2.0879 2.1159 2.6411 2.6411 2.8617 2.8617 4.1653 4.2849 4.2849 4.4534 5.3923 5.3923 5.9219 5.9219 6.1033 6.1076 8.3319 8.3319 9.9389 10.0380 10.1117 10.1117 12.7159 12.8236 12.8236 13.0041 k = 0.3267 0.5658-0.0000 ( 4980 PWs) bands (ev): -3.7317 -3.7311 -3.6988 -3.6983 -3.4708 -3.4706 0.0107 0.0267 0.0280 0.0455 0.0915 0.1612 0.1700 0.1723 0.2744 0.2787 0.2924 0.3166 0.3194 0.3351 0.3405 0.3877 0.4364 0.4441 0.5044 0.5054 0.5502 0.5503 0.5524 0.5559 0.6776 0.6833 0.7362 0.7483 0.8122 0.8150 1.9622 2.0805 2.0890 2.1132 2.6373 2.6557 2.8631 2.8695 4.1570 4.2820 4.3011 4.4624 5.3835 5.3966 5.9132 5.9163 6.1082 6.1152 8.3312 8.3404 9.9269 10.0136 10.1288 10.1407 12.6813 12.7974 12.8195 13.0053 k = 0.3200 0.5543-0.0000 ( 4980 PWs) bands (ev): -3.7510 -3.7503 -3.6839 -3.6835 -3.4720 -3.4718 0.0111 0.0255 0.0290 0.0466 0.0914 0.1613 0.1689 0.1737 0.2714 0.2802 0.2925 0.3146 0.3199 0.3330 0.3440 0.3873 0.4329 0.4481 0.5040 0.5065 0.5494 0.5496 0.5538 0.5556 0.6739 0.6850 0.7358 0.7481 0.8100 0.8155 1.9552 2.0648 2.0861 2.1088 2.6437 2.6801 2.8747 2.8858 4.1411 4.2771 4.3386 4.4865 5.3703 5.3969 5.8879 5.8975 6.1243 6.1379 8.3387 8.3566 9.9009 9.9755 10.1693 10.1929 12.6076 12.7264 12.8055 12.9900 k = 0.3133 0.5427-0.0000 ( 4984 PWs) bands (ev): -3.7725 -3.7716 -3.6701 -3.6696 -3.4741 -3.4737 0.0118 0.0238 0.0302 0.0482 0.0912 0.1614 0.1677 0.1753 0.2678 0.2815 0.2925 0.3122 0.3197 0.3316 0.3478 0.3867 0.4297 0.4521 0.5036 0.5081 0.5486 0.5488 0.5552 0.5552 0.6699 0.6856 0.7352 0.7478 0.8071 0.8152 1.9413 2.0388 2.0836 2.1084 2.6584 2.7120 2.8961 2.9111 4.1273 4.2740 4.3872 4.5214 5.3531 5.3934 5.8499 5.8668 6.1508 6.1719 8.3542 8.3802 9.8728 9.9404 10.2212 10.2515 12.5199 12.6384 12.7707 12.9417 k = 0.3067 0.5312-0.0000 ( 4976 PWs) bands (ev): -3.7961 -3.7951 -3.6573 -3.6568 -3.4772 -3.4766 0.0127 0.0220 0.0318 0.0501 0.0911 0.1615 0.1664 0.1771 0.2636 0.2829 0.2924 0.3094 0.3187 0.3307 0.3518 0.3861 0.4269 0.4561 0.5033 0.5101 0.5477 0.5479 0.5547 0.5566 0.6655 0.6850 0.7345 0.7474 0.8037 0.8142 1.9197 2.0054 2.0859 2.1135 2.6786 2.7481 2.9270 2.9453 4.1195 4.2753 4.4425 4.5632 5.3322 5.3868 5.8034 5.8272 6.1849 6.2132 8.3776 8.4109 9.8476 9.9106 10.2791 10.3136 12.4269 12.5446 12.7192 12.8702 k = 0.3000 0.5196-0.0000 ( 4966 PWs) bands (ev): -3.8219 -3.8208 -3.6457 -3.6452 -3.4812 -3.4805 0.0139 0.0200 0.0335 0.0522 0.0909 0.1617 0.1651 0.1790 0.2587 0.2843 0.2923 0.3063 0.3171 0.3302 0.3557 0.3854 0.4246 0.4600 0.5029 0.5124 0.5468 0.5470 0.5539 0.5582 0.6608 0.6832 0.7336 0.7468 0.7998 0.8123 1.8917 1.9681 2.0948 2.1240 2.7020 2.7851 2.9677 2.9884 4.1190 4.2825 4.5025 4.6093 5.3082 5.3778 5.7514 5.7813 6.2246 6.2593 8.4085 8.4484 9.8272 9.8867 10.3409 10.3784 12.3323 12.4497 12.6568 12.7889 k = 0.2933 0.5081-0.0000 ( 4966 PWs) bands (ev): -3.8498 -3.8486 -3.6355 -3.6351 -3.4862 -3.4854 0.0153 0.0181 0.0355 0.0544 0.0908 0.1619 0.1636 0.1809 0.2533 0.2859 0.2923 0.3029 0.3150 0.3298 0.3593 0.3848 0.4229 0.4637 0.5026 0.5150 0.5458 0.5461 0.5530 0.5597 0.6560 0.6800 0.7323 0.7459 0.7955 0.8094 1.8603 1.9302 2.1104 2.1399 2.7269 2.8207 3.0180 3.0399 4.1263 4.2963 4.5661 4.6577 5.2816 5.3676 5.6958 5.7310 6.2682 6.3085 8.4463 8.4924 9.8122 9.8688 10.4052 10.4452 12.2380 12.3559 12.5882 12.7044 k = 0.2867 0.4965-0.0000 ( 4968 PWs) bands (ev): -3.8797 -3.8784 -3.6268 -3.6263 -3.4922 -3.4913 0.0163 0.0168 0.0376 0.0565 0.0909 0.1621 0.1622 0.1827 0.2474 0.2873 0.2924 0.2994 0.3124 0.3295 0.3624 0.3844 0.4218 0.4672 0.5023 0.5177 0.5448 0.5451 0.5519 0.5612 0.6510 0.6757 0.7304 0.7447 0.7908 0.8057 1.8283 1.8937 2.1323 2.1614 2.7526 2.8542 3.0768 3.0988 4.1415 4.3169 4.6327 4.7065 5.2529 5.3577 5.6381 5.6779 6.3146 6.3598 8.4907 8.5423 9.8031 9.8569 10.4710 10.5133 12.1455 12.2644 12.5168 12.6201 k = 0.2800 0.4850-0.0000 ( 4962 PWs) bands (ev): -3.9116 -3.9102 -3.6196 -3.6192 -3.4993 -3.4983 0.0146 0.0185 0.0397 0.0585 0.0911 0.1606 0.1626 0.1845 0.2412 0.2872 0.2933 0.2966 0.3094 0.3291 0.3651 0.3842 0.4213 0.4706 0.5019 0.5204 0.5437 0.5442 0.5506 0.5628 0.6460 0.6703 0.7274 0.7430 0.7861 0.8010 1.7977 1.8605 2.1599 2.1884 2.7787 2.8856 3.1426 3.1642 4.1645 4.3444 4.7014 4.7533 5.2229 5.3500 5.5795 5.6231 6.3631 6.4124 8.5410 8.5978 9.7998 9.8509 10.5375 10.5822 12.0553 12.1757 12.4451 12.5375 k = 0.2733 0.4734-0.0000 ( 4970 PWs) bands (ev): -3.9453 -3.9438 -3.6141 -3.6137 -3.5075 -3.5064 0.0131 0.0203 0.0418 0.0604 0.0915 0.1590 0.1629 0.1860 0.2348 0.2844 0.2947 0.2961 0.3057 0.3288 0.3671 0.3841 0.4214 0.4737 0.5015 0.5231 0.5426 0.5431 0.5491 0.5644 0.6410 0.6640 0.7230 0.7406 0.7813 0.7953 1.7705 1.8317 2.1930 2.2211 2.8053 2.9155 3.2140 3.2352 4.1948 4.3786 4.7715 4.7957 5.1921 5.3469 5.5211 5.5680 6.4129 6.4657 8.5969 8.6584 9.8022 9.8506 10.6039 10.6511 11.9682 12.0905 12.3749 12.4582 k = 0.2667 0.4619-0.0000 ( 4982 PWs) bands (ev): -3.9807 -3.9793 -3.6103 -3.6099 -3.5167 -3.5156 0.0119 0.0221 0.0436 0.0620 0.0922 0.1573 0.1633 0.1873 0.2283 0.2799 0.2947 0.2987 0.3015 0.3285 0.3685 0.3842 0.4220 0.4765 0.5010 0.5255 0.5414 0.5421 0.5476 0.5659 0.6360 0.6569 0.7172 0.7375 0.7766 0.7888 1.7477 1.8084 2.2313 2.2593 2.8325 2.9445 3.2897 3.3109 4.2320 4.4190 4.8309 4.8420 5.1619 5.3508 5.4640 5.5137 6.4635 6.5193 8.6578 8.7238 9.8103 9.8560 10.6689 10.7189 11.8845 12.0089 12.3082 12.3833 k = 0.2600 0.4503-0.0000 ( 4984 PWs) bands (ev): -4.0178 -4.0163 -3.6083 -3.6078 -3.5271 -3.5259 0.0108 0.0240 0.0452 0.0634 0.0933 0.1555 0.1637 0.1883 0.2219 0.2744 0.2952 0.2968 0.3020 0.3284 0.3695 0.3845 0.4230 0.4792 0.5005 0.5277 0.5402 0.5412 0.5459 0.5675 0.6311 0.6492 0.7100 0.7336 0.7718 0.7815 1.7304 1.7913 2.2746 2.3028 2.8604 2.9730 3.3687 3.3907 4.2753 4.4654 4.8561 4.9107 5.1342 5.3634 5.4095 5.4624 6.5145 6.5725 8.7232 8.7936 9.8238 9.8668 10.7314 10.7844 11.8045 11.9310 12.2463 12.3142 k = 0.2533 0.4388-0.0000 ( 4992 PWs) bands (ev): -4.0563 -4.0548 -3.6081 -3.6076 -3.5385 -3.5372 0.0099 0.0260 0.0464 0.0646 0.0946 0.1538 0.1640 0.1891 0.2156 0.2683 0.2915 0.2959 0.3055 0.3282 0.3700 0.3849 0.4243 0.4815 0.4998 0.5294 0.5389 0.5403 0.5441 0.5689 0.6262 0.6407 0.7017 0.7289 0.7669 0.7734 1.7192 1.7809 2.3227 2.3516 2.8893 3.0014 3.4500 3.4739 4.3241 4.5173 4.8700 4.9716 5.1148 5.3593 5.3756 5.4254 6.5656 6.6252 8.7926 8.8674 9.8425 9.8828 10.7897 10.8460 11.7286 11.8570 12.1911 12.2523 k = 0.2467 0.4272-0.0000 ( 4996 PWs) bands (ev): -4.0961 -4.0945 -3.6097 -3.6091 -3.5509 -3.5496 0.0093 0.0280 0.0472 0.0656 0.0963 0.1519 0.1643 0.1896 0.2096 0.2618 0.2858 0.2969 0.3089 0.3280 0.3703 0.3853 0.4257 0.4837 0.4989 0.5308 0.5375 0.5394 0.5422 0.5702 0.6214 0.6316 0.6926 0.7233 0.7618 0.7647 1.7145 1.7774 2.3751 2.4053 2.9193 3.0299 3.5330 3.5600 4.3773 4.5741 4.8729 5.0064 5.1200 5.3170 5.3480 5.4428 6.6164 6.6768 8.8657 8.9448 9.8661 9.9039 10.8419 10.9018 11.6570 11.7869 12.1441 12.1988 k = 0.2400 0.4157-0.0000 ( 4996 PWs) bands (ev): -4.1370 -4.1355 -3.6131 -3.6125 -3.5644 -3.5631 0.0088 0.0300 0.0476 0.0663 0.0984 0.1501 0.1646 0.1899 0.2041 0.2550 0.2796 0.2981 0.3122 0.3279 0.3704 0.3857 0.4270 0.4856 0.4979 0.5316 0.5362 0.5386 0.5403 0.5714 0.6167 0.6220 0.6831 0.7169 0.7554 0.7562 1.7166 1.7810 2.4314 2.4635 2.9506 3.0587 3.6168 3.6487 4.4338 4.6350 4.8670 5.0049 5.1514 5.2927 5.3063 5.4880 6.6667 6.7271 8.9420 9.0255 9.8945 9.9298 10.8860 10.9496 11.5898 11.7206 12.1067 12.1548 k = 0.2333 0.4041-0.0000 ( 4998 PWs) bands (ev): -4.1788 -4.1774 -3.6182 -3.6177 -3.5788 -3.5775 0.0085 0.0319 0.0475 0.0668 0.1005 0.1483 0.1647 0.1900 0.1990 0.2480 0.2731 0.2996 0.3151 0.3278 0.3704 0.3862 0.4281 0.4872 0.4968 0.5315 0.5351 0.5379 0.5384 0.5724 0.6119 0.6121 0.6736 0.7099 0.7456 0.7503 1.7254 1.7914 2.4909 2.5259 2.9835 3.0881 3.7007 3.7394 4.4923 4.6986 4.8554 4.9909 5.1642 5.2672 5.3099 5.5431 6.7162 6.7758 9.0209 9.1091 9.9272 9.9605 10.9198 10.9868 11.5273 11.6581 12.0793 12.1198 k = 0.2267 0.3926-0.0000 ( 4991 PWs) bands (ev): -4.2215 -4.2200 -3.6251 -3.6246 -3.5941 -3.5928 0.0083 0.0337 0.0471 0.0671 0.1028 0.1465 0.1647 0.1899 0.1943 0.2410 0.2664 0.3011 0.3175 0.3276 0.3703 0.3866 0.4289 0.4886 0.4956 0.5303 0.5346 0.5364 0.5372 0.5731 0.6016 0.6077 0.6642 0.7024 0.7357 0.7440 1.7407 1.8086 2.5529 2.5917 3.0185 3.1182 3.7836 3.8318 4.5508 4.7606 4.8443 4.9780 5.1508 5.2333 5.3656 5.6040 6.7649 6.8226 9.1020 9.1953 9.9640 9.9957 10.9419 11.0117 11.4693 11.5992 12.0607 12.0898 k = 0.2200 0.3811-0.0000 ( 4997 PWs) bands (ev): -4.2648 -4.2633 -3.6337 -3.6331 -3.6103 -3.6090 0.0082 0.0353 0.0463 0.0672 0.1049 0.1449 0.1645 0.1897 0.1902 0.2338 0.2594 0.3028 0.3193 0.3274 0.3701 0.3870 0.4292 0.4897 0.4943 0.5281 0.5344 0.5346 0.5366 0.5735 0.5912 0.6034 0.6553 0.6946 0.7256 0.7374 1.7622 1.8320 2.6161 2.6600 3.0563 3.1496 3.8644 3.9252 4.6069 4.7930 4.8625 4.9715 5.1339 5.2065 5.4353 5.6685 6.8127 6.8674 9.1848 9.2836 10.0045 10.0352 10.9517 11.0230 11.4159 11.5438 12.0461 12.0562 k = 0.2133 0.3695-0.0000 ( 5005 PWs) bands (ev): -4.3085 -4.3071 -3.6439 -3.6433 -3.6273 -3.6260 0.0081 0.0366 0.0454 0.0671 0.1067 0.1435 0.1639 0.1866 0.1894 0.2269 0.2524 0.3046 0.3204 0.3271 0.3697 0.3873 0.4290 0.4905 0.4931 0.5252 0.5327 0.5341 0.5359 0.5737 0.5811 0.5993 0.6469 0.6868 0.7155 0.7305 1.7895 1.8613 2.6789 2.7295 3.0981 3.1830 3.9415 4.0192 4.6580 4.7833 4.9223 4.9743 5.1249 5.1894 5.5093 5.7350 6.8596 6.9101 9.2685 9.3735 10.0484 10.0788 10.9497 11.0208 11.3670 11.4919 12.0124 12.0270 k = 0.2067 0.3580-0.0000 ( 5003 PWs) bands (ev): -4.3525 -4.3511 -3.6556 -3.6550 -3.6449 -3.6437 0.0081 0.0374 0.0446 0.0669 0.1081 0.1426 0.1630 0.1836 0.1891 0.2203 0.2455 0.3064 0.3209 0.3267 0.3692 0.3876 0.4281 0.4910 0.4920 0.5218 0.5309 0.5338 0.5353 0.5717 0.5736 0.5955 0.6390 0.6791 0.7056 0.7236 1.8220 1.8958 2.7392 2.7982 3.1452 3.2198 4.0133 4.1128 4.7023 4.7667 4.9859 4.9864 5.1300 5.1866 5.5846 5.8023 6.9055 6.9505 9.3526 9.4644 10.0952 10.1263 10.9377 11.0068 11.3223 11.4432 11.9599 11.9963 k = 0.2000 0.3464-0.0000 ( 5001 PWs) bands (ev): -4.3966 -4.3953 -3.6687 -3.6681 -3.6632 -3.6620 0.0080 0.0373 0.0444 0.0665 0.1087 0.1422 0.1617 0.1810 0.1886 0.2141 0.2387 0.3081 0.3207 0.3263 0.3684 0.3877 0.4267 0.4911 0.4911 0.5179 0.5292 0.5334 0.5346 0.5632 0.5732 0.5920 0.6317 0.6717 0.6961 0.7165 1.8591 1.9350 2.7946 2.8634 3.1997 3.2620 4.0778 4.2047 4.7408 4.7518 5.0049 5.0381 5.1548 5.2068 5.6599 5.8692 6.9507 6.9885 9.4361 9.5558 10.1443 10.1774 10.9183 10.9831 11.2818 11.3978 11.9033 11.9541 k = 0.1933 0.3349-0.0000 ( 4993 PWs) bands (ev): -4.4406 -4.4394 -3.6833 -3.6831 -3.6814 -3.6808 0.0078 0.0360 0.0449 0.0660 0.1085 0.1424 0.1598 0.1789 0.1881 0.2086 0.2322 0.3095 0.3200 0.3258 0.3673 0.3878 0.4247 0.4906 0.4907 0.5137 0.5275 0.5329 0.5337 0.5559 0.5727 0.5887 0.6249 0.6646 0.6869 0.7095 1.9003 1.9783 2.8429 2.9218 3.2633 3.3126 4.1333 4.2929 4.7421 4.7771 5.0275 5.0724 5.2002 5.2559 5.7344 5.9349 6.9951 7.0243 9.5181 9.6467 10.1951 10.2317 10.8939 10.9522 11.2455 11.3556 11.8460 11.9051 k = 0.1867 0.3233-0.0000 ( 4995 PWs) bands (ev): -4.4845 -4.4833 -3.7018 -3.7007 -3.6983 -3.6976 0.0076 0.0341 0.0458 0.0654 0.1076 0.1431 0.1573 0.1771 0.1873 0.2040 0.2260 0.3100 0.3192 0.3251 0.3658 0.3878 0.4222 0.4895 0.4903 0.5093 0.5260 0.5324 0.5325 0.5500 0.5719 0.5858 0.6186 0.6579 0.6782 0.7026 1.9448 2.0250 2.8825 2.9701 3.3369 3.3743 4.1786 4.3737 4.7421 4.8152 5.0559 5.0965 5.2623 5.3260 5.8076 5.9987 7.0391 7.0580 9.5975 9.7363 10.2467 10.2886 10.8670 10.9167 11.2135 11.3167 11.7900 11.8542 k = 0.1800 0.3118-0.0000 ( 5003 PWs) bands (ev): -4.5280 -4.5268 -3.7214 -3.7203 -3.7150 -3.7143 0.0072 0.0317 0.0467 0.0646 0.1059 0.1442 0.1541 0.1757 0.1862 0.2005 0.2203 0.3089 0.3192 0.3244 0.3640 0.3876 0.4195 0.4872 0.4903 0.5054 0.5245 0.5306 0.5320 0.5456 0.5710 0.5831 0.6127 0.6516 0.6701 0.6958 1.9921 2.0745 2.9132 3.0066 3.4204 3.4484 4.2140 4.4412 4.7576 4.8575 5.0933 5.1208 5.3356 5.4068 5.8790 6.0600 7.0828 7.0896 9.6728 9.8231 10.2982 10.3474 10.8397 10.8788 11.1862 11.2811 11.7370 11.8048 k = 0.1733 0.3002-0.0000 ( 5005 PWs) bands (ev): -4.5710 -4.5698 -3.7414 -3.7404 -3.7325 -3.7317 0.0066 0.0291 0.0476 0.0638 0.1038 0.1457 0.1504 0.1746 0.1849 0.1981 0.2152 0.3060 0.3200 0.3236 0.3620 0.3873 0.4167 0.4834 0.4904 0.5025 0.5231 0.5285 0.5316 0.5428 0.5700 0.5807 0.6073 0.6455 0.6626 0.6891 2.0414 2.1260 2.9356 3.0315 3.5131 3.5345 4.2407 4.4897 4.7947 4.9044 5.1417 5.1505 5.4162 5.4928 5.9483 6.1182 7.1194 7.1264 9.7425 9.9053 10.3480 10.4068 10.8141 10.8409 11.1640 11.2491 11.6885 11.7594 k = 0.1667 0.2887-0.0000 ( 5001 PWs) bands (ev): -4.6133 -4.6122 -3.7616 -3.7606 -3.7507 -3.7499 0.0059 0.0263 0.0484 0.0629 0.1015 0.1464 0.1472 0.1737 0.1833 0.1965 0.2107 0.3019 0.3212 0.3228 0.3600 0.3868 0.4138 0.4781 0.4907 0.5006 0.5219 0.5261 0.5313 0.5411 0.5689 0.5785 0.6024 0.6396 0.6559 0.6827 2.0921 2.1788 2.9506 3.0462 3.6138 3.6310 4.2611 4.5192 4.8531 4.9556 5.1881 5.2016 5.5014 5.5817 6.0150 6.1728 7.1476 7.1700 9.8048 9.9808 10.3944 10.4649 10.7918 10.8060 11.1475 11.2210 11.6459 11.7200 k = 0.1600 0.2771-0.0000 ( 5007 PWs) bands (ev): -4.6549 -4.6539 -3.7819 -3.7809 -3.7695 -3.7686 0.0050 0.0234 0.0489 0.0618 0.0990 0.1421 0.1486 0.1729 0.1817 0.1956 0.2069 0.2970 0.3218 0.3225 0.3580 0.3861 0.4108 0.4720 0.4910 0.4993 0.5208 0.5240 0.5310 0.5400 0.5678 0.5765 0.5978 0.6338 0.6500 0.6765 2.1436 2.2322 2.9592 3.0526 3.7213 3.7360 4.2778 4.5365 4.9261 5.0107 5.2346 5.2720 5.5897 5.6722 6.0790 6.2237 7.1744 7.2137 9.8578 10.0464 10.4352 10.5184 10.7745 10.7783 11.1374 11.1976 11.6108 11.6884 k = 0.1533 0.2656-0.0000 ( 5013 PWs) bands (ev): -4.6956 -4.6946 -3.8022 -3.8013 -3.7887 -3.7879 0.0038 0.0204 0.0493 0.0607 0.0965 0.1378 0.1499 0.1723 0.1801 0.1951 0.2038 0.2915 0.3208 0.3236 0.3563 0.3852 0.4078 0.4653 0.4912 0.4984 0.5199 0.5224 0.5308 0.5393 0.5666 0.5745 0.5936 0.6281 0.6449 0.6705 2.1950 2.2855 2.9625 3.0525 3.8346 3.8478 4.2931 4.5485 5.0064 5.0699 5.2904 5.3510 5.6799 5.7634 6.1398 6.2706 7.2002 7.2576 9.8997 10.0981 10.4682 10.5611 10.7631 10.7651 11.1349 11.1795 11.5845 11.6658 k = 0.1467 0.2540-0.0000 ( 5013 PWs) bands (ev): -4.7353 -4.7344 -3.8224 -3.8215 -3.8082 -3.8074 0.0026 0.0173 0.0495 0.0595 0.0942 0.1337 0.1510 0.1717 0.1786 0.1947 0.2015 0.2856 0.3197 0.3244 0.3548 0.3841 0.4048 0.4586 0.4912 0.4978 0.5189 0.5215 0.5306 0.5388 0.5654 0.5727 0.5898 0.6224 0.6404 0.6648 2.2460 2.3379 2.9614 3.0471 3.9531 3.9652 4.3092 4.5600 5.0895 5.1333 5.3554 5.4365 5.7710 5.8547 6.1974 6.3135 7.2252 7.3013 9.9289 10.1318 10.4915 10.5859 10.7578 10.7740 11.1411 11.1680 11.5680 11.6524 k = 0.1400 0.2425-0.0000 ( 5003 PWs) bands (ev): -4.7739 -4.7730 -3.8423 -3.8416 -3.8279 -3.8271 0.0012 0.0141 0.0495 0.0581 0.0922 0.1298 0.1519 0.1711 0.1773 0.1943 0.1999 0.2797 0.3185 0.3249 0.3538 0.3827 0.4018 0.4519 0.4912 0.4973 0.5178 0.5215 0.5306 0.5385 0.5642 0.5709 0.5863 0.6168 0.6366 0.6594 2.2957 2.3886 2.9565 3.0376 4.0761 4.0870 4.3279 4.5734 5.1731 5.2012 5.4291 5.5268 5.8624 5.9456 6.2516 6.3526 7.2496 7.3449 9.9444 10.1439 10.5051 10.5942 10.7573 10.8034 11.1572 11.1651 11.5615 11.6470 k = 0.1333 0.2309-0.0000 ( 5013 PWs) bands (ev): -4.8113 -4.8105 -3.8620 -3.8613 -3.8476 -3.8468 -0.0004 0.0110 0.0492 0.0567 0.0905 0.1263 0.1526 0.1704 0.1760 0.1938 0.1990 0.2738 0.3173 0.3250 0.3531 0.3809 0.3986 0.4454 0.4911 0.4969 0.5166 0.5219 0.5306 0.5383 0.5630 0.5691 0.5832 0.6114 0.6332 0.6542 2.3436 2.4370 2.9486 3.0250 4.2029 4.2107 4.3522 4.5901 5.2564 5.2732 5.5100 5.6202 5.9536 6.0356 6.3024 6.3883 7.2738 7.3879 9.9456 10.1333 10.5101 10.5947 10.7596 10.8411 11.1730 11.1836 11.5636 11.6462 k = 0.1267 0.2194-0.0000 ( 5005 PWs) bands (ev): -4.8474 -4.8466 -3.8814 -3.8807 -3.8672 -3.8664 -0.0021 0.0078 0.0488 0.0551 0.0892 0.1233 0.1531 0.1697 0.1748 0.1931 0.1987 0.2681 0.3161 0.3246 0.3529 0.3789 0.3954 0.4394 0.4911 0.4966 0.5156 0.5229 0.5307 0.5381 0.5618 0.5674 0.5803 0.6063 0.6303 0.6493 2.3893 2.4825 2.9383 3.0099 4.3246 4.3330 4.3941 4.6111 5.3394 5.3491 5.5968 5.7156 6.0439 6.1242 6.3498 6.4209 7.2977 7.4299 9.9326 10.1021 10.5081 10.5922 10.7635 10.8771 11.1944 11.2195 11.5714 11.6457 k = 0.1200 0.2078-0.0000 ( 4997 PWs) bands (ev): -4.8821 -4.8814 -3.9002 -3.8996 -3.8865 -3.8858 -0.0038 0.0047 0.0481 0.0535 0.0883 0.1208 0.1533 0.1689 0.1737 0.1921 0.1989 0.2628 0.3149 0.3238 0.3529 0.3765 0.3921 0.4337 0.4911 0.4964 0.5146 0.5241 0.5308 0.5380 0.5607 0.5656 0.5777 0.6014 0.6276 0.6447 2.4323 2.5245 2.9261 2.9931 4.3860 4.4657 4.4963 4.6370 5.4225 5.4285 5.6878 5.8119 6.1328 6.2110 6.3941 6.4510 7.3216 7.4705 9.9060 10.0538 10.5008 10.5873 10.7689 10.9060 11.2300 11.2631 11.5809 11.6412 k = 0.1133 0.1963-0.0000 ( 4999 PWs) bands (ev): -4.9154 -4.9147 -3.9186 -3.9180 -3.9055 -3.9048 -0.0057 0.0017 0.0473 0.0518 0.0877 0.1187 0.1534 0.1681 0.1727 0.1908 0.1995 0.2580 0.3137 0.3226 0.3532 0.3739 0.3888 0.4285 0.4912 0.4962 0.5136 0.5255 0.5311 0.5379 0.5595 0.5638 0.5753 0.5967 0.6252 0.6403 2.4723 2.5627 2.9126 2.9750 4.4258 4.5982 4.6278 4.6700 5.5056 5.5106 5.7817 5.9085 6.2199 6.2956 6.4355 6.4792 7.3454 7.5093 9.8665 9.9920 10.4895 10.5791 10.7762 10.9270 11.2776 11.3117 11.5888 11.6310 k = 0.1067 0.1848-0.0000 ( 4999 PWs) bands (ev): -4.9471 -4.9465 -3.9363 -3.9358 -3.9241 -3.9233 -0.0075 -0.0013 0.0465 0.0500 0.0876 0.1170 0.1532 0.1673 0.1718 0.1892 0.2004 0.2536 0.3125 0.3212 0.3536 0.3709 0.3855 0.4237 0.4915 0.4961 0.5128 0.5271 0.5313 0.5378 0.5583 0.5620 0.5731 0.5924 0.6230 0.6361 2.5091 2.5969 2.8982 2.9562 4.4666 4.6904 4.7497 4.7654 5.5889 5.5948 5.8772 6.0046 6.3047 6.3776 6.4744 6.5061 7.3692 7.5457 9.8149 9.9192 10.4752 10.5673 10.7857 10.9415 11.3317 11.3615 11.5941 11.6160 k = 0.1000 0.1732-0.0000 ( 4989 PWs) bands (ev): -4.9772 -4.9766 -3.9533 -3.9529 -3.9420 -3.9413 -0.0093 -0.0042 0.0456 0.0483 0.0879 0.1159 0.1529 0.1665 0.1709 0.1871 0.2015 0.2498 0.3113 0.3195 0.3541 0.3677 0.3824 0.4195 0.4921 0.4961 0.5119 0.5288 0.5317 0.5378 0.5570 0.5602 0.5712 0.5883 0.6210 0.6323 2.5425 2.6269 2.8832 2.9371 4.5111 4.7326 4.8846 4.9058 5.6722 5.6802 5.9735 6.0997 6.3864 6.4566 6.5117 6.5326 7.3930 7.5794 9.7521 9.8373 10.4589 10.5520 10.7968 10.9510 11.3837 11.4066 11.5977 11.5978 k = 0.0933 0.1617-0.0000 ( 5005 PWs) bands (ev): -5.0056 -5.0051 -3.9696 -3.9692 -3.9592 -3.9586 -0.0112 -0.0070 0.0446 0.0465 0.0884 0.1150 0.1525 0.1657 0.1700 0.1845 0.2028 0.2465 0.3101 0.3177 0.3544 0.3643 0.3794 0.4156 0.4928 0.4961 0.5111 0.5305 0.5320 0.5377 0.5557 0.5584 0.5694 0.5846 0.6191 0.6287 2.5725 2.6527 2.8681 2.9180 4.5593 4.7742 5.0244 5.0479 5.7550 5.7661 6.0697 6.1935 6.4640 6.5322 6.5484 6.5594 7.4166 7.6101 9.6790 9.7476 10.4410 10.5332 10.8082 10.9554 11.4201 11.4342 11.5788 11.5993 k = 0.0867 0.1501-0.0000 ( 5011 PWs) bands (ev): -5.0323 -5.0318 -3.9850 -3.9846 -3.9757 -3.9751 -0.0130 -0.0096 0.0437 0.0448 0.0892 0.1146 0.1518 0.1651 0.1692 0.1816 0.2042 0.2438 0.3090 0.3158 0.3544 0.3608 0.3768 0.4121 0.4937 0.4963 0.5104 0.5323 0.5324 0.5377 0.5542 0.5567 0.5677 0.5811 0.6174 0.6254 2.5992 2.6746 2.8530 2.8993 4.6106 4.8176 5.1650 5.1907 5.8370 5.8514 6.1651 6.2855 6.5342 6.5872 6.5880 6.6042 7.4400 7.6373 9.5966 9.6510 10.4218 10.5109 10.8166 10.9521 11.4224 11.4241 11.5639 11.5927 k = 0.0800 0.1386-0.0000 ( 5009 PWs) bands (ev): -5.0572 -5.0568 -3.9995 -3.9992 -3.9913 -3.9907 -0.0147 -0.0120 0.0428 0.0433 0.0904 0.1145 0.1510 0.1645 0.1683 0.1783 0.2058 0.2415 0.3079 0.3139 0.3541 0.3574 0.3747 0.4089 0.4948 0.4965 0.5097 0.5329 0.5341 0.5377 0.5524 0.5553 0.5662 0.5779 0.6158 0.6223 2.6228 2.6927 2.8384 2.8811 4.6644 4.8622 5.3052 5.3335 5.9175 5.9353 6.2590 6.3755 6.5890 6.6172 6.6388 6.6723 7.4630 7.6608 9.5058 9.5484 10.4011 10.4853 10.8164 10.9349 11.3764 11.3873 11.5541 11.5835 k = 0.0733 0.1270-0.0000 ( 5009 PWs) bands (ev): -5.0803 -5.0799 -4.0131 -4.0129 -4.0059 -4.0054 -0.0164 -0.0143 0.0418 0.0420 0.0918 0.1146 0.1500 0.1640 0.1674 0.1748 0.2073 0.2396 0.3069 0.3120 0.3534 0.3540 0.3732 0.4059 0.4961 0.4968 0.5090 0.5334 0.5359 0.5377 0.5503 0.5542 0.5648 0.5750 0.6144 0.6196 2.6434 2.7074 2.8243 2.8638 4.7197 4.9070 5.4438 5.4752 5.9962 6.0167 6.3505 6.4631 6.6289 6.6500 6.7006 6.7362 7.4856 7.6805 9.4077 9.4404 10.3785 10.4562 10.7992 10.8949 11.3218 11.3438 11.5460 11.5819 k = 0.0667 0.1155-0.0000 ( 5009 PWs) bands (ev): -5.1016 -5.1012 -4.0257 -4.0255 -4.0194 -4.0190 -0.0179 -0.0163 0.0405 0.0412 0.0935 0.1150 0.1489 0.1636 0.1662 0.1714 0.2089 0.2381 0.3060 0.3102 0.3508 0.3521 0.3724 0.4032 0.4971 0.4977 0.5083 0.5338 0.5375 0.5378 0.5481 0.5533 0.5634 0.5723 0.6130 0.6171 2.6614 2.7191 2.8109 2.8474 4.7754 4.9510 5.5794 5.6145 6.0724 6.0946 6.4388 6.5480 6.6641 6.6868 6.7636 6.7959 7.5076 7.6963 9.3032 9.3278 10.3536 10.4237 10.7568 10.8274 11.2862 11.3186 11.5400 11.5860 k = 0.0600 0.1039-0.0000 ( 5021 PWs) bands (ev): -5.1209 -5.1206 -4.0373 -4.0371 -4.0319 -4.0315 -0.0194 -0.0182 0.0394 0.0404 0.0954 0.1156 0.1476 0.1633 0.1640 0.1688 0.2106 0.2367 0.3051 0.3085 0.3478 0.3504 0.3722 0.4006 0.4975 0.4993 0.5077 0.5343 0.5377 0.5394 0.5457 0.5525 0.5621 0.5699 0.6118 0.6148 2.6770 2.7280 2.7986 2.8321 4.8305 4.9931 5.7104 5.7498 6.1456 6.1682 6.5230 6.6295 6.6992 6.7283 6.8239 6.8512 7.5291 7.7081 9.1937 9.2117 10.3263 10.3882 10.6889 10.7378 11.2787 11.3169 11.5367 11.5930 k = 0.0533 0.0924-0.0000 ( 5017 PWs) bands (ev): -5.1382 -5.1380 -4.0477 -4.0476 -4.0432 -4.0428 -0.0207 -0.0199 0.0384 0.0397 0.0975 0.1164 0.1462 0.1606 0.1631 0.1674 0.2122 0.2354 0.3044 0.3069 0.3450 0.3485 0.3725 0.3983 0.4979 0.5011 0.5071 0.5346 0.5378 0.5411 0.5433 0.5518 0.5609 0.5677 0.6107 0.6129 2.6904 2.7345 2.7873 2.8182 4.8840 5.0323 5.8346 5.8788 6.2151 6.2365 6.6028 6.7067 6.7365 6.7749 6.8804 6.9020 7.5499 7.7161 9.0804 9.0930 10.2967 10.3502 10.6038 10.6371 11.2951 11.3333 11.5361 11.6013 k = 0.0467 0.0808-0.0000 ( 5021 PWs) bands (ev): -5.1536 -5.1534 -4.0571 -4.0571 -4.0532 -4.0530 -0.0219 -0.0214 0.0376 0.0391 0.0999 0.1174 0.1447 0.1566 0.1629 0.1665 0.2139 0.2343 0.3037 0.3055 0.3426 0.3464 0.3731 0.3960 0.4984 0.5030 0.5066 0.5348 0.5379 0.5410 0.5428 0.5513 0.5597 0.5656 0.6097 0.6112 2.7020 2.7390 2.7771 2.8056 4.9348 5.0676 5.9497 5.9989 6.2801 6.2986 6.6785 6.7700 6.7861 6.8260 6.9324 6.9484 7.5702 7.7205 8.9650 8.9732 10.2653 10.3106 10.5119 10.5345 11.3277 11.3615 11.5379 11.6090 k = 0.0400 0.0693-0.0000 ( 5021 PWs) bands (ev): -5.1670 -5.1668 -4.0653 -4.0653 -4.0620 -4.0618 -0.0230 -0.0226 0.0369 0.0385 0.1025 0.1184 0.1431 0.1524 0.1628 0.1659 0.2156 0.2332 0.3030 0.3043 0.3405 0.3443 0.3740 0.3937 0.4989 0.5047 0.5064 0.5344 0.5380 0.5392 0.5444 0.5510 0.5585 0.5637 0.6088 0.6097 2.7120 2.7418 2.7683 2.7944 4.9820 5.0982 6.0533 6.1066 6.3395 6.3540 6.7517 6.8161 6.8516 6.8791 6.9795 6.9902 7.5899 7.7218 8.8495 8.8541 10.2332 10.2708 10.4210 10.4361 11.3698 11.3968 11.5414 11.6142 k = 0.0333 0.0577-0.0000 ( 5017 PWs) bands (ev): -5.1784 -5.1782 -4.0724 -4.0724 -4.0694 -4.0693 -0.0239 -0.0237 0.0365 0.0379 0.1053 0.1195 0.1414 0.1483 0.1628 0.1653 0.2173 0.2320 0.3025 0.3032 0.3388 0.3424 0.3751 0.3916 0.4994 0.5049 0.5079 0.5329 0.5381 0.5384 0.5460 0.5508 0.5574 0.5619 0.6080 0.6086 2.7207 2.7431 2.7608 2.7848 5.0249 5.1234 6.1433 6.1985 6.3918 6.4019 6.8238 6.8650 6.9126 6.9309 7.0211 7.0274 7.6092 7.7204 8.7365 8.7384 10.2017 10.2323 10.3369 10.3465 11.4166 11.4359 11.5459 11.6156 k = 0.0267 0.0462-0.0000 ( 5013 PWs) bands (ev): -5.1877 -5.1876 -4.0783 -4.0782 -4.0755 -4.0754 -0.0246 -0.0245 0.0361 0.0374 0.1082 0.1206 0.1398 0.1443 0.1629 0.1649 0.2189 0.2308 0.3020 0.3024 0.3375 0.3406 0.3763 0.3896 0.5000 0.5045 0.5101 0.5307 0.5382 0.5382 0.5476 0.5508 0.5563 0.5602 0.6074 0.6077 2.7281 2.7433 2.7547 2.7766 5.0627 5.1426 6.2186 6.2717 6.4359 6.4418 6.8942 6.9176 6.9656 6.9778 7.0567 7.0598 7.6285 7.7172 8.6296 8.6296 10.1726 10.1969 10.2634 10.2689 11.4640 11.4757 11.5509 11.6130 k = 0.0200 0.0346-0.0000 ( 5007 PWs) bands (ev): -5.1950 -5.1949 -4.0829 -4.0828 -4.0802 -4.0802 -0.0252 -0.0252 0.0359 0.0370 0.1113 0.1214 0.1382 0.1407 0.1630 0.1645 0.2206 0.2296 0.3016 0.3018 0.3366 0.3391 0.3777 0.3877 0.5005 0.5040 0.5125 0.5282 0.5383 0.5383 0.5492 0.5510 0.5553 0.5585 0.6068 0.6070 2.7345 2.7428 2.7502 2.7696 5.0950 5.1556 6.2788 6.3248 6.4707 6.4735 6.9595 6.9707 7.0089 7.0168 7.0857 7.0868 7.6476 7.7130 8.5325 8.5338 10.1477 10.1663 10.2035 10.2059 11.5078 11.5128 11.5563 11.6072 k = 0.0133 0.0231-0.0000 ( 5021 PWs) bands (ev): -5.2002 -5.2001 -4.0862 -4.0861 -4.0836 -4.0836 -0.0257 -0.0257 0.0358 0.0366 0.1143 0.1218 0.1367 0.1377 0.1631 0.1641 0.2222 0.2282 0.3013 0.3013 0.3360 0.3378 0.3791 0.3858 0.5011 0.5034 0.5150 0.5255 0.5383 0.5384 0.5507 0.5514 0.5543 0.5569 0.6064 0.6065 2.7393 2.7421 2.7479 2.7637 5.1213 5.1620 6.3242 6.3581 6.4957 6.4965 7.0139 7.0178 7.0410 7.0456 7.1073 7.1077 7.6660 7.7084 8.4539 8.4556 10.1285 10.1418 10.1599 10.1600 11.5434 11.5440 11.5621 11.5996 k = 0.0067 0.0115-0.0000 ( 5029 PWs) bands (ev): -5.2033 -5.2033 -4.0882 -4.0882 -4.0856 -4.0856 -0.0260 -0.0260 0.0358 0.0362 0.1172 0.1213 0.1356 0.1357 0.1633 0.1638 0.2238 0.2268 0.3011 0.3011 0.3359 0.3368 0.3806 0.3840 0.5016 0.5028 0.5176 0.5229 0.5384 0.5384 0.5519 0.5522 0.5534 0.5553 0.6062 0.6062 2.7412 2.7414 2.7494 2.7584 5.1414 5.1618 6.3552 6.3732 6.5105 6.5107 7.0503 7.0509 7.0608 7.0627 7.1207 7.1210 7.6823 7.7029 8.4020 8.4031 10.1161 10.1230 10.1341 10.1344 11.5631 11.5652 11.5716 11.5918 k = 0.0000 0.0000 0.0000 ( 5049 PWs) bands (ev): -5.2043 -5.2043 -4.0889 -4.0889 -4.0863 -4.0863 -0.0261 -0.0261 0.0359 0.0359 0.1197 0.1197 0.1351 0.1351 0.1635 0.1635 0.2253 0.2253 0.3010 0.3010 0.3361 0.3361 0.3822 0.3822 0.5022 0.5022 0.5202 0.5202 0.5384 0.5384 0.5526 0.5526 0.5537 0.5537 0.6061 0.6061 2.7412 2.7412 2.7535 2.7535 5.1549 5.1549 6.3718 6.3718 6.5155 6.5155 7.0632 7.0632 7.0678 7.0678 7.1255 7.1255 7.6948 7.6948 8.3840 8.3840 10.1132 10.1132 10.1267 10.1267 11.5693 11.5693 11.5841 11.5841 k = 0.0000 0.0000 0.0000 ( 5049 PWs) bands (ev): -5.2043 -5.2043 -4.0889 -4.0889 -4.0863 -4.0863 -0.0261 -0.0261 0.0359 0.0359 0.1197 0.1197 0.1351 0.1351 0.1635 0.1635 0.2253 0.2253 0.3010 0.3010 0.3361 0.3361 0.3822 0.3822 0.5022 0.5022 0.5202 0.5202 0.5384 0.5384 0.5526 0.5526 0.5537 0.5537 0.6061 0.6061 2.7412 2.7412 2.7535 2.7535 5.1549 5.1549 6.3718 6.3718 6.5155 6.5155 7.0632 7.0632 7.0678 7.0678 7.1255 7.1255 7.6948 7.6948 8.3840 8.3840 10.1132 10.1132 10.1267 10.1267 11.5693 11.5693 11.5841 11.5841 k = 0.0000 0.0000 0.0129 ( 5031 PWs) bands (ev): -5.2032 -5.2032 -4.1418 -4.1393 -4.0363 -4.0337 -0.0280 -0.0247 0.0306 0.0414 0.1123 0.1263 0.1338 0.1368 0.1622 0.1648 0.2205 0.2301 0.2988 0.3034 0.3285 0.3439 0.3805 0.3841 0.5010 0.5034 0.5173 0.5231 0.5373 0.5395 0.5519 0.5529 0.5533 0.5547 0.6029 0.6095 2.6225 2.6368 2.8643 2.8746 5.1565 5.1568 6.3367 6.4001 6.4816 6.5441 7.0294 7.0402 7.0986 7.1019 7.1228 7.1271 7.6622 7.6732 8.4089 8.4114 10.1073 10.1190 10.1207 10.1325 11.5024 11.5165 11.6389 11.6550 k = 0.0000 0.0000 0.0258 ( 5019 PWs) bands (ev): -5.1999 -5.1998 -4.1949 -4.1924 -3.9844 -3.9818 -0.0303 -0.0237 0.0255 0.0471 0.1040 0.1322 0.1329 0.1389 0.1609 0.1661 0.2157 0.2347 0.2967 0.3061 0.3209 0.3516 0.3787 0.3861 0.4997 0.5045 0.5143 0.5260 0.5361 0.5406 0.5513 0.5520 0.5540 0.5558 0.5998 0.6130 2.5085 2.5248 2.9914 2.9997 5.1615 5.1621 6.2955 6.4213 6.4426 6.5682 7.0009 7.0156 7.1192 7.1277 7.1318 7.1445 7.5861 7.6076 8.4769 8.4805 10.1015 10.1148 10.1246 10.1380 11.4386 11.4522 11.7108 11.7291 k = 0.0000 0.0000 0.0388 ( 5025 PWs) bands (ev): -5.1944 -5.1942 -4.2479 -4.2455 -3.9334 -3.9307 -0.0332 -0.0232 0.0206 0.0527 0.0950 0.1323 0.1373 0.1415 0.1596 0.1673 0.2109 0.2391 0.2948 0.3088 0.3134 0.3591 0.3770 0.3881 0.4984 0.5055 0.5112 0.5289 0.5349 0.5415 0.5507 0.5512 0.5548 0.5570 0.5968 0.6165 2.3996 2.4177 3.1223 3.1284 5.1700 5.1709 6.2489 6.3984 6.4348 6.5882 6.9779 6.9934 7.1145 7.1272 7.1656 7.1901 7.4841 7.5175 8.5704 8.5738 10.0960 10.1091 10.1296 10.1429 11.3782 11.3912 11.7827 11.8063 k = 0.0000 0.0000 0.0517 ( 5019 PWs) bands (ev): -5.1867 -5.1864 -4.3006 -4.2983 -3.8836 -3.8810 -0.0365 -0.0230 0.0158 0.0585 0.0851 0.1320 0.1417 0.1445 0.1583 0.1685 0.2062 0.2431 0.2932 0.3063 0.3116 0.3665 0.3752 0.3903 0.4970 0.5065 0.5082 0.5319 0.5337 0.5425 0.5501 0.5504 0.5556 0.5584 0.5940 0.6200 2.2960 2.3159 3.2567 3.2606 5.1818 5.1832 6.1974 6.3498 6.4398 6.6048 6.9600 6.9716 7.1089 7.1257 7.1941 7.2376 7.3700 7.4221 8.6766 8.6792 10.0909 10.1037 10.1337 10.1469 11.3213 11.3338 11.8447 11.8864 k = 0.0000 0.0000 0.0646 ( 5019 PWs) bands (ev): -5.1768 -5.1764 -4.3528 -4.3506 -3.8353 -3.8328 -0.0402 -0.0230 0.0112 0.0643 0.0745 0.1319 0.1455 0.1479 0.1569 0.1696 0.2017 0.2467 0.2918 0.2997 0.3146 0.3735 0.3736 0.3925 0.4954 0.5050 0.5075 0.5324 0.5348 0.5434 0.5496 0.5497 0.5564 0.5600 0.5914 0.6235 2.1983 2.2197 3.3943 3.3959 5.1969 5.1991 6.1417 6.2974 6.4350 6.6189 6.9458 6.9469 7.1024 7.1233 7.1940 7.2542 7.2857 7.3523 8.7884 8.7900 10.0864 10.0988 10.1366 10.1496 11.2679 11.2799 11.8622 11.9617 k = 0.0000 0.0000 0.0775 ( 5019 PWs) bands (ev): -5.1647 -5.1643 -4.4043 -4.4022 -3.7890 -3.7865 -0.0442 -0.0233 0.0069 0.0631 0.0701 0.1321 0.1485 0.1517 0.1555 0.1707 0.1973 0.2496 0.2906 0.2936 0.3176 0.3718 0.3805 0.3948 0.4938 0.5017 0.5084 0.5311 0.5376 0.5442 0.5490 0.5491 0.5572 0.5621 0.5889 0.6268 2.1066 2.1294 3.5339 3.5347 5.2153 5.2185 6.0824 6.2421 6.4179 6.6309 6.9054 6.9378 7.0950 7.1199 7.1318 7.1507 7.3335 7.3475 8.9018 8.9025 10.0824 10.0943 10.1378 10.1505 11.2182 11.2297 11.8472 11.9386 k = 0.0000 0.0000 0.0905 ( 5019 PWs) bands (ev): -5.1504 -5.1499 -4.4551 -4.4530 -3.7449 -3.7425 -0.0484 -0.0236 0.0028 0.0511 0.0759 0.1324 0.1509 0.1542 0.1559 0.1717 0.1932 0.2515 0.2886 0.2896 0.3206 0.3700 0.3870 0.3973 0.4921 0.4983 0.5093 0.5299 0.5402 0.5450 0.5484 0.5486 0.5581 0.5648 0.5865 0.6299 2.0215 2.0453 3.6744 3.6778 5.2369 5.2414 6.0198 6.1847 6.3853 6.6412 6.8332 6.9323 7.0436 7.0786 7.0868 7.1157 7.3766 7.3799 9.0143 9.0147 10.0790 10.0903 10.1369 10.1494 11.1724 11.1833 11.8307 11.9224 k = 0.0000 0.0000 0.1034 ( 5013 PWs) bands (ev): -5.1339 -5.1334 -4.5049 -4.5029 -3.7034 -3.7011 -0.0525 -0.0240 -0.0011 0.0387 0.0817 0.1329 0.1524 0.1528 0.1605 0.1727 0.1894 0.2519 0.2848 0.2889 0.3237 0.3683 0.3932 0.3998 0.4904 0.4949 0.5102 0.5286 0.5424 0.5457 0.5479 0.5481 0.5591 0.5682 0.5843 0.6327 1.9434 1.9677 3.8170 3.8233 5.2618 5.2679 5.9543 6.1259 6.3332 6.6504 6.7266 6.9297 6.9604 7.0417 7.0780 7.1106 7.4133 7.4243 9.1241 9.1254 10.0762 10.0868 10.1334 10.1455 11.1305 11.1407 11.8193 11.9133 k = 0.0000 0.0000 0.1163 ( 5024 PWs) bands (ev): -5.1153 -5.1147 -4.5536 -4.5517 -3.6649 -3.6627 -0.0565 -0.0245 -0.0046 0.0260 0.0875 0.1335 0.1514 0.1531 0.1653 0.1736 0.1861 0.2505 0.2827 0.2882 0.3267 0.3664 0.3989 0.4024 0.4885 0.4915 0.5110 0.5273 0.5443 0.5463 0.5474 0.5477 0.5600 0.5724 0.5822 0.6350 1.8725 1.8969 3.9613 3.9709 5.2897 5.2981 5.8857 6.0663 6.2589 6.6017 6.6587 6.8920 6.9297 7.0251 7.0685 7.1049 7.4511 7.4657 9.2307 9.2329 10.0740 10.0838 10.1267 10.1384 11.0926 11.1021 11.8147 11.9116 k = 0.0000 0.0000 0.1292 ( 5036 PWs) bands (ev): -5.0946 -5.0939 -4.6012 -4.5994 -3.6298 -3.6278 -0.0601 -0.0249 -0.0080 0.0132 0.0932 0.1342 0.1500 0.1529 0.1704 0.1744 0.1835 0.2475 0.2820 0.2877 0.3297 0.3645 0.4041 0.4051 0.4866 0.4882 0.5119 0.5261 0.5457 0.5468 0.5469 0.5473 0.5610 0.5774 0.5803 0.6367 1.8092 1.8332 4.1070 4.1203 5.3206 5.3321 5.8136 6.0066 6.1630 6.4701 6.6663 6.8404 6.9318 7.0181 7.0585 7.0985 7.4874 7.5036 9.3333 9.3364 10.0723 10.0813 10.1162 10.1275 11.0590 11.0675 11.8176 11.9171 k = 0.0000 0.0000 0.1422 ( 5018 PWs) bands (ev): -5.0717 -5.0710 -4.6474 -4.6457 -3.5984 -3.5966 -0.0630 -0.0251 -0.0110 0.0007 0.0988 0.1351 0.1487 0.1517 0.1752 0.1758 0.1815 0.2433 0.2823 0.2874 0.3327 0.3625 0.4079 0.4089 0.4847 0.4852 0.5128 0.5249 0.5466 0.5468 0.5469 0.5473 0.5620 0.5784 0.5832 0.6377 1.7541 1.7768 4.2535 4.2712 5.3545 5.3698 5.7372 5.9471 6.0490 6.3379 6.6734 6.8033 6.9357 7.0162 7.0482 7.0916 7.5211 7.5373 9.4312 9.4351 10.0712 10.0791 10.1013 10.1123 11.0296 11.0371 11.8283 11.9299 k = 0.0000 0.0000 0.1551 ( 5018 PWs) bands (ev): -5.0468 -5.0460 -4.6922 -4.6906 -3.5711 -3.5696 -0.0651 -0.0252 -0.0137 -0.0114 0.1044 0.1359 0.1474 0.1496 0.1758 0.1802 0.1813 0.2384 0.2830 0.2872 0.3357 0.3605 0.4106 0.4129 0.4823 0.4828 0.5136 0.5237 0.5463 0.5466 0.5476 0.5478 0.5631 0.5767 0.5895 0.6378 1.7073 1.7280 4.4005 4.4234 5.3912 5.4117 5.6552 5.8882 5.9217 6.2089 6.6801 6.7768 6.9411 7.0174 7.0375 7.0842 7.5512 7.5663 9.5237 9.5284 10.0705 10.0773 10.0815 10.0920 11.0046 11.0111 11.8467 11.9496 k = 0.0000 0.0000 0.1680 ( 5036 PWs) bands (ev): -5.0199 -5.0189 -4.7355 -4.7340 -3.5483 -3.5470 -0.0662 -0.0252 -0.0228 -0.0161 0.1098 0.1369 0.1461 0.1466 0.1764 0.1792 0.1869 0.2330 0.2838 0.2870 0.3385 0.3584 0.4132 0.4162 0.4798 0.4809 0.5145 0.5225 0.5460 0.5463 0.5481 0.5481 0.5641 0.5750 0.5962 0.6368 1.6692 1.6870 4.5472 4.5765 5.4307 5.4579 5.5660 5.7850 5.8304 6.0863 6.6867 6.7575 6.9478 7.0207 7.0266 7.0766 7.5771 7.5902 9.6104 9.6157 10.0561 10.0662 10.0702 10.0758 10.9841 10.9894 11.8730 11.9756 k = 0.0000 0.0000 0.1809 ( 5036 PWs) bands (ev): -4.9909 -4.9899 -4.7773 -4.7758 -3.5302 -3.5292 -0.0660 -0.0332 -0.0250 -0.0182 0.1151 0.1378 0.1430 0.1448 0.1769 0.1787 0.1927 0.2275 0.2846 0.2869 0.3413 0.3562 0.4156 0.4186 0.4779 0.4792 0.5154 0.5214 0.5459 0.5461 0.5484 0.5485 0.5653 0.5734 0.6031 0.6348 1.6399 1.6542 4.6928 4.7304 5.4676 5.4729 5.5089 5.6419 5.7738 5.9727 6.6931 6.7430 6.9555 7.0157 7.0255 7.0687 7.5983 7.6087 9.6906 9.6967 10.0247 10.0342 10.0703 10.0745 10.9683 10.9723 11.9066 12.0059 k = 0.0000 0.0000 0.1938 ( 5036 PWs) bands (ev): -4.9599 -4.9589 -4.8173 -4.8160 -3.5170 -3.5163 -0.0644 -0.0424 -0.0245 -0.0201 0.1202 0.1389 0.1390 0.1435 0.1773 0.1784 0.1985 0.2218 0.2853 0.2868 0.3440 0.3540 0.4178 0.4202 0.4765 0.4777 0.5163 0.5203 0.5458 0.5459 0.5487 0.5487 0.5665 0.5719 0.6099 0.6316 1.6198 1.6297 4.8364 4.8845 5.3588 5.4945 5.5175 5.5655 5.7187 5.8702 6.6997 6.7315 6.9642 7.0048 7.0313 7.0608 7.6143 7.6215 9.7641 9.7708 9.9867 9.9957 10.0706 10.0734 10.9571 10.9598 11.9464 12.0351 k = 0.0000 0.0000 0.2068 ( 5048 PWs) bands (ev): -4.9271 -4.9259 -4.8557 -4.8544 -3.5089 -3.5086 -0.0612 -0.0502 -0.0238 -0.0216 0.1252 0.1347 0.1400 0.1423 0.1776 0.1781 0.2043 0.2160 0.2859 0.2866 0.3466 0.3516 0.4194 0.4208 0.4759 0.4765 0.5172 0.5193 0.5457 0.5458 0.5488 0.5488 0.5677 0.5704 0.6164 0.6274 1.6087 1.6138 4.9766 5.0385 5.2398 5.3442 5.5646 5.6285 5.6653 5.7793 6.7065 6.7220 6.9736 6.9940 7.0380 7.0529 7.6248 7.6285 9.8306 9.8379 9.9418 9.9503 10.0711 10.0725 10.9506 10.9520 11.9900 12.0488 k = 0.0000 0.0000 0.2197 ( 5042 PWs) bands (ev): -4.8923 -4.8923 -4.8911 -4.8911 -3.5061 -3.5061 -0.0565 -0.0565 -0.0228 -0.0228 0.1300 0.1300 0.1411 0.1411 0.1779 0.1779 0.2102 0.2102 0.2863 0.2863 0.3491 0.3491 0.4205 0.4205 0.4759 0.4759 0.5182 0.5182 0.5457 0.5457 0.5489 0.5489 0.5691 0.5691 0.6223 0.6223 1.6068 1.6068 5.1118 5.1118 5.1919 5.1919 5.6139 5.6139 5.6992 5.6992 6.7139 6.7139 6.9836 6.9836 7.0453 7.0453 7.6296 7.6296 9.8898 9.8898 9.8977 9.8977 10.0717 10.0717 10.9489 10.9489 12.0300 12.0300 k = 0.0000 0.0000 0.2197 ( 5042 PWs) bands (ev): -4.8923 -4.8923 -4.8911 -4.8911 -3.5061 -3.5061 -0.0565 -0.0565 -0.0228 -0.0228 0.1300 0.1300 0.1411 0.1411 0.1779 0.1779 0.2102 0.2102 0.2863 0.2863 0.3491 0.3491 0.4205 0.4205 0.4759 0.4759 0.5182 0.5182 0.5457 0.5457 0.5489 0.5489 0.5691 0.5691 0.6223 0.6223 1.6068 1.6068 5.1118 5.1118 5.1919 5.1919 5.6139 5.6139 5.6992 5.6992 6.7139 6.7139 6.9836 6.9836 7.0453 7.0453 7.6296 7.6296 9.8898 9.8898 9.8977 9.8977 10.0717 10.0717 10.9489 10.9489 12.0300 12.0300 k = 0.0114 0.0066 0.2197 ( 5048 PWs) bands (ev): -4.8914 -4.8914 -4.8902 -4.8902 -3.5058 -3.5057 -0.0562 -0.0560 -0.0237 -0.0219 0.1300 0.1300 0.1406 0.1416 0.1779 0.1780 0.2089 0.2115 0.2826 0.2902 0.3475 0.3508 0.4206 0.4206 0.4759 0.4759 0.5164 0.5200 0.5454 0.5454 0.5492 0.5494 0.5682 0.5700 0.6207 0.6242 1.6067 1.6083 5.0998 5.1002 5.1832 5.1949 5.6027 5.6064 5.7117 5.7135 6.6952 6.7277 6.9746 6.9834 7.0405 7.0407 7.6117 7.6357 9.8909 9.8937 9.9014 9.9076 10.0800 10.0802 10.9496 10.9544 12.0171 12.0253 k = 0.0227 0.0131 0.2197 ( 5038 PWs) bands (ev): -4.8886 -4.8886 -4.8874 -4.8873 -3.5050 -3.5047 -0.0552 -0.0547 -0.0246 -0.0209 0.1301 0.1301 0.1401 0.1421 0.1781 0.1781 0.2078 0.2129 0.2793 0.2942 0.3459 0.3524 0.4209 0.4209 0.4759 0.4760 0.5146 0.5219 0.5447 0.5447 0.5501 0.5505 0.5675 0.5711 0.6194 0.6263 1.6082 1.6114 5.0678 5.0696 5.1655 5.1873 5.5868 5.5897 5.7367 5.7456 6.6720 6.7361 6.9567 6.9746 7.0261 7.0275 7.5827 7.6299 9.8941 9.9065 9.9146 9.9327 10.1048 10.1054 10.9569 10.9657 11.9883 12.0035 k = 0.0341 0.0197 0.2197 ( 5034 PWs) bands (ev): -4.8840 -4.8840 -4.8827 -4.8826 -3.5035 -3.5031 -0.0535 -0.0527 -0.0253 -0.0199 0.1300 0.1302 0.1395 0.1426 0.1783 0.1784 0.2068 0.2144 0.2761 0.2985 0.3443 0.3540 0.4214 0.4215 0.4759 0.4760 0.5129 0.5236 0.5439 0.5439 0.5512 0.5519 0.5670 0.5723 0.6184 0.6288 1.6112 1.6161 5.0219 5.0255 5.1331 5.1634 5.5764 5.5765 5.7631 5.7835 6.6448 6.7381 6.9305 6.9583 7.0024 7.0069 7.5437 7.6129 9.8988 9.9209 9.9423 9.9702 10.1456 10.1467 10.9711 10.9825 11.9467 11.9660 k = 0.0455 0.0262 0.2197 ( 5040 PWs) bands (ev): -4.8776 -4.8776 -4.8761 -4.8759 -3.5014 -3.5009 -0.0510 -0.0499 -0.0260 -0.0189 0.1300 0.1304 0.1389 0.1430 0.1784 0.1787 0.2060 0.2160 0.2732 0.3029 0.3427 0.3556 0.4220 0.4222 0.4758 0.4762 0.5111 0.5254 0.5431 0.5432 0.5525 0.5534 0.5665 0.5736 0.6177 0.6316 1.6158 1.6223 4.9659 4.9711 5.0850 5.1214 5.5701 5.5731 5.7870 5.8224 6.6137 6.7328 6.8970 6.9361 6.9701 6.9806 7.4962 7.5857 9.9029 9.9350 9.9824 10.0177 10.2013 10.2032 10.9921 11.0042 11.8949 11.9122 k = 0.0568 0.0328 0.2197 ( 5036 PWs) bands (ev): -4.8695 -4.8694 -4.8676 -4.8673 -3.4987 -3.4981 -0.0479 -0.0465 -0.0267 -0.0178 0.1298 0.1308 0.1383 0.1434 0.1787 0.1792 0.2053 0.2177 0.2706 0.3073 0.3411 0.3571 0.4229 0.4232 0.4757 0.4764 0.5095 0.5271 0.5424 0.5425 0.5538 0.5552 0.5662 0.5751 0.6174 0.6347 1.6219 1.6301 4.9016 4.9082 5.0230 5.0631 5.5697 5.5745 5.8067 5.8604 6.5793 6.7188 6.8574 6.9097 6.9302 6.9506 7.4418 7.5494 9.9036 9.9470 10.0319 10.0727 10.2705 10.2735 11.0193 11.0298 11.8311 11.8337 k = 0.0682 0.0394 0.2197 ( 5028 PWs) bands (ev): -4.8596 -4.8595 -4.8571 -4.8569 -3.4955 -3.4948 -0.0442 -0.0424 -0.0272 -0.0166 0.1296 0.1312 0.1377 0.1438 0.1789 0.1798 0.2048 0.2194 0.2683 0.3119 0.3397 0.3586 0.4239 0.4244 0.4754 0.4766 0.5078 0.5288 0.5418 0.5419 0.5551 0.5570 0.5661 0.5766 0.6174 0.6382 1.6297 1.6394 4.8302 4.8379 4.9497 4.9913 5.5725 5.5781 5.8214 5.8963 6.5419 6.6954 6.8129 6.8803 6.8840 6.9196 7.3822 7.5058 9.8986 9.9543 10.0882 10.1329 10.3512 10.3557 11.0505 11.0575 11.7356 11.7487 k = 0.0795 0.0459 0.2197 ( 5024 PWs) bands (ev): -4.8480 -4.8479 -4.8448 -4.8445 -3.4917 -3.4909 -0.0400 -0.0377 -0.0277 -0.0154 0.1293 0.1319 0.1371 0.1442 0.1791 0.1806 0.2045 0.2213 0.2662 0.3164 0.3383 0.3599 0.4251 0.4259 0.4751 0.4770 0.5063 0.5304 0.5413 0.5414 0.5565 0.5590 0.5661 0.5782 0.6178 0.6420 1.6391 1.6505 4.7522 4.7607 4.8671 4.9088 5.5759 5.5818 5.8305 5.9295 6.5022 6.6625 6.7644 6.8333 6.8475 6.8904 7.3192 7.4562 9.8857 9.9541 10.1488 10.1959 10.4406 10.4469 11.0821 11.0844 11.6344 11.6538 k = 0.0909 0.0525 0.2197 ( 5020 PWs) bands (ev): -4.8347 -4.8347 -4.8305 -4.8302 -3.4874 -3.4865 -0.0353 -0.0324 -0.0280 -0.0142 0.1289 0.1327 0.1365 0.1445 0.1793 0.1815 0.2044 0.2232 0.2645 0.3208 0.3369 0.3613 0.4264 0.4276 0.4747 0.4775 0.5048 0.5319 0.5409 0.5409 0.5579 0.5611 0.5662 0.5799 0.6187 0.6463 1.6503 1.6632 4.6683 4.6774 4.7771 4.8179 5.5778 5.5839 5.8339 5.9595 6.4607 6.6216 6.7126 6.7795 6.8117 6.8637 7.2545 7.4021 9.8637 9.9443 10.2111 10.2593 10.5348 10.5436 11.1058 11.1087 11.5394 11.5602 k = 0.1023 0.0590 0.2197 ( 5024 PWs) bands (ev): -4.8198 -4.8197 -4.8145 -4.8141 -3.4827 -3.4816 -0.0308 -0.0277 -0.0268 -0.0129 0.1284 0.1338 0.1358 0.1449 0.1795 0.1825 0.2045 0.2251 0.2630 0.3251 0.3357 0.3625 0.4279 0.4296 0.4742 0.4780 0.5035 0.5334 0.5405 0.5407 0.5593 0.5631 0.5665 0.5817 0.6202 0.6510 1.6632 1.6776 4.5791 4.5884 4.6807 4.7203 5.5766 5.5830 5.8317 5.9859 6.4186 6.5748 6.6579 6.7244 6.7742 6.8380 7.1895 7.3447 9.8323 9.9238 10.2721 10.3205 10.6277 10.6403 11.1164 11.1244 11.4584 11.4779 k = 0.1136 0.0656 0.2197 ( 5018 PWs) bands (ev): -4.8032 -4.8032 -4.7966 -4.7962 -3.4775 -3.4763 -0.0292 -0.0243 -0.0207 -0.0116 0.1278 0.1351 0.1351 0.1454 0.1796 0.1837 0.2049 0.2273 0.2617 0.3292 0.3345 0.3637 0.4295 0.4318 0.4736 0.4786 0.5022 0.5347 0.5402 0.5405 0.5608 0.5653 0.5669 0.5835 0.6223 0.6561 1.6779 1.6938 4.4849 4.4942 4.5789 4.6172 5.5710 5.5781 5.8241 6.0082 6.3767 6.5241 6.6007 6.6696 6.7365 6.8113 7.1258 7.2851 9.7919 9.8924 10.3284 10.3766 10.7104 10.7283 11.1126 11.1254 11.4013 11.4179 k = 0.1250 0.0722 0.2197 ( 5024 PWs) bands (ev): -4.7851 -4.7850 -4.7770 -4.7766 -3.4720 -3.4707 -0.0291 -0.0190 -0.0144 -0.0102 0.1270 0.1343 0.1367 0.1458 0.1798 0.1850 0.2055 0.2296 0.2607 0.3329 0.3335 0.3649 0.4312 0.4342 0.4729 0.4793 0.5011 0.5360 0.5400 0.5405 0.5622 0.5674 0.5676 0.5853 0.6252 0.6617 1.6944 1.7118 4.3864 4.3952 4.4726 4.5097 5.5598 5.5681 5.8117 6.0260 6.3363 6.4712 6.5415 6.6161 6.6996 6.7824 7.0645 7.2242 9.7434 9.8506 10.3757 10.4237 10.7706 10.7957 11.0948 11.1114 11.3811 11.3944 k = 0.1364 0.0787 0.2197 ( 5016 PWs) bands (ev): -4.7654 -4.7653 -4.7557 -4.7552 -3.4662 -3.4647 -0.0290 -0.0136 -0.0087 -0.0078 0.1262 0.1335 0.1386 0.1465 0.1799 0.1865 0.2063 0.2320 0.2601 0.3325 0.3363 0.3661 0.4331 0.4369 0.4722 0.4801 0.5000 0.5372 0.5399 0.5407 0.5637 0.5683 0.5695 0.5871 0.6288 0.6678 1.7129 1.7317 4.2841 4.2919 4.3625 4.3986 5.5421 5.5519 5.7956 6.0387 6.2982 6.4172 6.4814 6.5644 6.6634 6.7507 7.0065 7.1627 9.6885 9.7999 10.4083 10.4569 10.7999 10.8333 11.0672 11.0851 11.4068 11.4183 k = 0.1477 0.0853 0.2197 ( 5020 PWs) bands (ev): -4.7442 -4.7442 -4.7326 -4.7321 -3.4600 -3.4585 -0.0288 -0.0082 -0.0072 -0.0011 0.1252 0.1325 0.1405 0.1475 0.1800 0.1881 0.2074 0.2347 0.2596 0.3316 0.3393 0.3672 0.4350 0.4396 0.4714 0.4810 0.4991 0.5380 0.5400 0.5409 0.5652 0.5692 0.5715 0.5889 0.6334 0.6744 1.7333 1.7535 4.1785 4.1850 4.2491 4.2848 5.5169 5.5283 5.7771 6.0459 6.2632 6.3631 6.4218 6.5144 6.6275 6.7170 6.9519 7.1013 9.6286 9.7419 10.4203 10.4701 10.8048 10.8481 11.0332 11.0511 11.4730 11.4840 k = 0.1591 0.0919 0.2197 ( 5016 PWs) bands (ev): -4.7217 -4.7216 -4.7079 -4.7074 -3.4537 -3.4521 -0.0285 -0.0056 -0.0031 0.0056 0.1242 0.1315 0.1422 0.1491 0.1803 0.1898 0.2086 0.2375 0.2595 0.3309 0.3418 0.3683 0.4371 0.4425 0.4705 0.4820 0.4983 0.5385 0.5406 0.5413 0.5667 0.5703 0.5735 0.5906 0.6388 0.6815 1.7558 1.7773 4.0701 4.0748 4.1332 4.1689 5.4839 5.4966 5.7573 6.0471 6.2309 6.3096 6.3647 6.4661 6.5904 6.6830 6.9003 7.0404 9.5655 9.6786 10.4079 10.4587 10.8009 10.8569 10.9943 11.0143 11.5610 11.5728 k = 0.1705 0.0984 0.2197 ( 5004 PWs) bands (ev): -4.6977 -4.6977 -4.6816 -4.6810 -3.4473 -3.4455 -0.0280 -0.0039 0.0018 0.0122 0.1230 0.1304 0.1435 0.1515 0.1806 0.1916 0.2101 0.2406 0.2597 0.3302 0.3438 0.3696 0.4393 0.4453 0.4698 0.4830 0.4977 0.5387 0.5414 0.5419 0.5683 0.5715 0.5755 0.5924 0.6451 0.6892 1.7803 1.8031 3.9596 3.9621 4.0154 4.0515 5.4430 5.4563 5.7373 6.0420 6.1997 6.2570 6.3126 6.4194 6.5506 6.6512 6.8506 6.9804 9.5009 9.6118 10.3733 10.4242 10.7959 10.8695 10.9519 10.9790 11.6490 11.6634 k = 0.1818 0.1050 0.2197 ( 5004 PWs) bands (ev): -4.6725 -4.6724 -4.6538 -4.6531 -3.4408 -3.4389 -0.0273 -0.0020 0.0063 0.0187 0.1217 0.1293 0.1443 0.1547 0.1813 0.1935 0.2118 0.2439 0.2603 0.3296 0.3452 0.3708 0.4415 0.4481 0.4691 0.4840 0.4971 0.5388 0.5422 0.5426 0.5700 0.5728 0.5774 0.5942 0.6524 0.6973 1.8070 1.8309 3.8474 3.8474 3.8963 3.9333 5.3944 5.4076 5.7177 6.0306 6.1667 6.2057 6.2687 6.3742 6.5073 6.6232 6.8014 6.9218 9.4364 9.5434 10.3231 10.3735 10.7873 10.8863 10.9075 10.9494 11.7145 11.7340 k = 0.1932 0.1115 0.2197 ( 5006 PWs) bands (ev): -4.6461 -4.6460 -4.6244 -4.6237 -3.4343 -3.4323 -0.0265 -0.0001 0.0103 0.0249 0.1203 0.1281 0.1448 0.1583 0.1823 0.1953 0.2136 0.2474 0.2612 0.3290 0.3462 0.3720 0.4437 0.4506 0.4686 0.4851 0.4967 0.5389 0.5431 0.5434 0.5718 0.5742 0.5791 0.5960 0.6604 0.7059 1.8359 1.8608 3.7312 3.7339 3.7764 3.8148 5.3389 5.3516 5.6985 6.0127 6.1297 6.1558 6.2347 6.3305 6.4611 6.5989 6.7514 6.8647 9.3735 9.4749 10.2640 10.3139 10.7692 10.8610 10.9049 10.9288 11.7410 11.7665 k = 0.2045 0.1181 0.2197 ( 5008 PWs) bands (ev): -4.6186 -4.6185 -4.5936 -4.5929 -3.4279 -3.4258 -0.0255 0.0020 0.0139 0.0309 0.1188 0.1269 0.1452 0.1618 0.1841 0.1972 0.2157 0.2509 0.2628 0.3286 0.3468 0.3732 0.4460 0.4528 0.4684 0.4861 0.4964 0.5391 0.5439 0.5443 0.5735 0.5758 0.5809 0.5979 0.6693 0.7150 1.8670 1.8927 3.6142 3.6196 3.6566 3.6965 5.2773 5.2892 5.6797 5.9880 6.0905 6.1074 6.2084 6.2885 6.4133 6.5774 6.7000 6.8095 9.3133 9.4080 10.2009 10.2507 10.7406 10.8150 10.9161 10.9210 11.7299 11.7605 k = 0.2159 0.1247 0.2197 ( 5004 PWs) bands (ev): -4.5901 -4.5900 -4.5615 -4.5607 -3.4217 -3.4195 -0.0242 0.0042 0.0169 0.0365 0.1172 0.1258 0.1455 0.1648 0.1868 0.1990 0.2181 0.2543 0.2650 0.3281 0.3469 0.3744 0.4483 0.4544 0.4687 0.4871 0.4961 0.5393 0.5447 0.5453 0.5752 0.5776 0.5826 0.5999 0.6789 0.7245 1.9002 1.9267 3.4968 3.5048 3.5374 3.5789 5.2106 5.2216 5.6609 5.9560 6.0523 6.0607 6.1861 6.2483 6.3649 6.5565 6.6476 6.7565 9.2570 9.3439 10.1371 10.1869 10.7050 10.7694 10.9069 10.9335 11.6952 11.7302 k = 0.2273 0.1312 0.2197 ( 5002 PWs) bands (ev): -4.5606 -4.5605 -4.5280 -4.5272 -3.4158 -3.4135 -0.0228 0.0065 0.0195 0.0417 0.1154 0.1248 0.1456 0.1672 0.1906 0.2009 0.2206 0.2574 0.2682 0.3278 0.3467 0.3755 0.4507 0.4555 0.4694 0.4881 0.4961 0.5396 0.5454 0.5463 0.5768 0.5799 0.5843 0.6020 0.6891 0.7343 1.9357 1.9626 3.3797 3.3895 3.4198 3.4624 5.1399 5.1500 5.6419 5.9175 6.0155 6.0162 6.1641 6.2105 6.3168 6.5313 6.5976 6.7059 9.2052 9.2835 10.0743 10.1246 10.6661 10.7248 10.8972 10.9410 11.6496 11.6887 k = 0.2386 0.1378 0.2197 ( 5004 PWs) bands (ev): -4.5304 -4.5303 -4.4934 -4.4925 -3.4103 -3.4079 -0.0211 0.0091 0.0217 0.0464 0.1136 0.1238 0.1458 0.1688 0.1953 0.2026 0.2235 0.2601 0.2723 0.3274 0.3462 0.3765 0.4530 0.4560 0.4706 0.4890 0.4961 0.5399 0.5461 0.5474 0.5783 0.5824 0.5859 0.6043 0.6998 0.7445 1.9732 2.0003 3.2634 3.2741 3.3046 3.3476 5.0660 5.0754 5.6227 5.8742 5.9719 5.9812 6.1390 6.1771 6.2695 6.4908 6.5603 6.6580 9.1587 9.2278 10.0139 10.0648 10.6263 10.6817 10.8850 10.9431 11.6007 11.6440 k = 0.2500 0.1443 0.2197 ( 5004 PWs) bands (ev): -4.4995 -4.4993 -4.4576 -4.4566 -3.4052 -3.4028 -0.0192 0.0117 0.0234 0.0506 0.1117 0.1230 0.1458 0.1700 0.2005 0.2043 0.2268 0.2627 0.2771 0.3271 0.3455 0.3774 0.4553 0.4562 0.4721 0.4898 0.4963 0.5403 0.5468 0.5485 0.5797 0.5853 0.5875 0.6067 0.7109 0.7549 2.0127 2.0396 3.1487 3.1589 3.1922 3.2349 4.9900 4.9986 5.6030 5.8281 5.9298 5.9457 6.1079 6.1498 6.2233 6.4326 6.5379 6.6133 9.1178 9.1772 9.9566 10.0083 10.5871 10.6407 10.8692 10.9394 11.5533 11.6003 k = 0.2614 0.1509 0.2197 ( 5008 PWs) bands (ev): -4.4680 -4.4679 -4.4208 -4.4198 -3.4008 -3.3982 -0.0171 0.0145 0.0249 0.0543 0.1099 0.1223 0.1457 0.1709 0.2058 0.2059 0.2305 0.2652 0.2824 0.3267 0.3446 0.3782 0.4562 0.4575 0.4737 0.4905 0.4966 0.5407 0.5476 0.5496 0.5810 0.5884 0.5891 0.6092 0.7224 0.7654 2.0539 2.0800 3.0361 3.0448 3.0831 3.1249 4.9125 4.9206 5.5827 5.7801 5.8892 5.9088 6.0720 6.1271 6.1782 6.3653 6.5217 6.5719 9.0826 9.1323 9.9028 9.9555 10.5495 10.6020 10.8498 10.9297 11.5100 11.5600 k = 0.2727 0.1575 0.2197 ( 5016 PWs) bands (ev): -4.4362 -4.4360 -4.3830 -4.3819 -3.3970 -3.3944 -0.0147 0.0175 0.0261 0.0574 0.1082 0.1218 0.1456 0.1717 0.2075 0.2107 0.2348 0.2678 0.2882 0.3263 0.3435 0.3790 0.4562 0.4596 0.4754 0.4912 0.4970 0.5412 0.5484 0.5507 0.5823 0.5907 0.5919 0.6119 0.7339 0.7759 2.0965 2.1209 2.9266 2.9325 2.9776 3.0182 4.8343 4.8419 5.5616 5.7301 5.8500 5.8703 6.0339 6.1058 6.1340 6.2935 6.5078 6.5342 9.0529 9.0931 9.8528 9.9066 10.5142 10.5661 10.8269 10.9141 11.4726 11.5245 k = 0.2841 0.1640 0.2197 ( 5016 PWs) bands (ev): -4.4041 -4.4039 -4.3444 -4.3433 -3.3940 -3.3913 -0.0122 0.0207 0.0271 0.0597 0.1067 0.1215 0.1454 0.1724 0.2090 0.2152 0.2397 0.2706 0.2942 0.3259 0.3423 0.3796 0.4562 0.4615 0.4770 0.4918 0.4975 0.5416 0.5493 0.5518 0.5835 0.5923 0.5957 0.6148 0.7455 0.7863 2.1395 2.1609 2.8214 2.8231 2.8763 2.9156 4.7561 4.7633 5.5395 5.6777 5.8119 5.8306 5.9952 6.0848 6.0900 6.2201 6.4949 6.5002 9.0287 9.0597 9.8068 9.8616 10.4815 10.5333 10.8010 10.8928 11.4423 11.4945 k = 0.2955 0.1706 0.2197 ( 5020 PWs) bands (ev): -4.3719 -4.3717 -4.3051 -4.3038 -3.3919 -3.3892 -0.0095 0.0240 0.0280 0.0614 0.1055 0.1215 0.1450 0.1732 0.2105 0.2191 0.2450 0.2734 0.3004 0.3254 0.3411 0.3802 0.4563 0.4632 0.4786 0.4923 0.4981 0.5419 0.5504 0.5528 0.5847 0.5939 0.5998 0.6178 0.7568 0.7965 2.1816 2.1974 2.7176 2.7222 2.7804 2.8186 4.6783 4.6852 5.5160 5.6221 5.7749 5.7906 5.9569 6.0443 6.0632 6.1485 6.4699 6.4823 9.0095 9.0319 9.7648 9.8206 10.4520 10.5038 10.7728 10.8665 11.4195 11.4705 k = 0.3068 0.1771 0.2197 ( 5006 PWs) bands (ev): -4.3398 -4.3395 -4.2651 -4.2638 -3.3908 -3.3880 -0.0066 0.0275 0.0289 0.0623 0.1046 0.1218 0.1446 0.1742 0.2121 0.2224 0.2505 0.2765 0.3068 0.3249 0.3398 0.3808 0.4567 0.4646 0.4802 0.4930 0.4989 0.5421 0.5517 0.5538 0.5858 0.5956 0.6042 0.6211 0.7678 0.8063 2.2194 2.2256 2.6176 2.6319 2.6921 2.7302 4.6017 4.6082 5.4904 5.5622 5.7386 5.7512 5.9196 5.9937 6.0411 6.0838 6.4432 6.4699 8.9948 9.0094 9.7268 9.7834 10.4259 10.4780 10.7429 10.8361 11.4043 11.4525 k = 0.3182 0.1837 0.2197 ( 4994 PWs) bands (ev): -4.3079 -4.3077 -4.2246 -4.2233 -3.3909 -3.3880 -0.0036 0.0299 0.0311 0.0624 0.1039 0.1226 0.1440 0.1754 0.2136 0.2253 0.2561 0.2796 0.3132 0.3244 0.3386 0.3813 0.4572 0.4656 0.4819 0.4937 0.4998 0.5422 0.5531 0.5547 0.5869 0.5972 0.6089 0.6245 0.7781 0.8154 2.2358 2.2455 2.5255 2.5524 2.6173 2.6582 4.5265 4.5327 5.4616 5.4974 5.7025 5.7134 5.8837 5.9353 6.0183 6.0311 6.4199 6.4576 8.9842 8.9918 9.6926 9.7499 10.4035 10.4560 10.7122 10.8025 11.3964 11.4407 k = 0.3295 0.1903 0.2197 ( 4988 PWs) bands (ev): -4.2765 -4.2762 -4.1838 -4.1823 -3.3921 -3.3892 -0.0006 0.0310 0.0349 0.0618 0.1035 0.1240 0.1432 0.1768 0.2153 0.2276 0.2614 0.2829 0.3194 0.3241 0.3374 0.3817 0.4580 0.4662 0.4835 0.4945 0.5007 0.5422 0.5547 0.5556 0.5879 0.5989 0.6140 0.6282 0.7877 0.8238 2.2170 2.2453 2.4434 2.4801 2.5689 2.6183 4.4534 4.4593 5.4276 5.4278 5.6664 5.6778 5.8496 5.8732 5.9892 5.9953 6.3996 6.4452 8.9769 8.9785 9.6622 9.7199 10.3848 10.4379 10.6815 10.7670 11.3954 11.4349 k = 0.3409 0.1968 0.2197 ( 4982 PWs) bands (ev): -4.2457 -4.2455 -4.1427 -4.1412 -3.3947 -3.3918 0.0022 0.0325 0.0387 0.0606 0.1032 0.1259 0.1423 0.1784 0.2170 0.2297 0.2663 0.2862 0.3218 0.3274 0.3364 0.3821 0.4590 0.4662 0.4853 0.4955 0.5017 0.5421 0.5563 0.5564 0.5889 0.6006 0.6193 0.6322 0.7962 0.8312 2.1689 2.2075 2.3690 2.4075 2.5612 2.6186 4.3828 4.3884 5.3531 5.3869 5.6304 5.6449 5.8140 5.8174 5.9543 5.9720 6.3820 6.4329 8.9691 8.9726 9.6354 9.6931 10.3699 10.4240 10.6515 10.7306 11.4008 11.4350 k = 0.3523 0.2034 0.2197 ( 4970 PWs) bands (ev): -4.2157 -4.2155 -4.1015 -4.0999 -3.3987 -3.3958 0.0050 0.0343 0.0426 0.0590 0.1029 0.1284 0.1413 0.1803 0.2188 0.2314 0.2705 0.2896 0.3211 0.3338 0.3355 0.3825 0.4601 0.4658 0.4873 0.4967 0.5028 0.5419 0.5569 0.5583 0.5899 0.6023 0.6249 0.6364 0.8034 0.8374 2.1033 2.1433 2.2979 2.3348 2.5877 2.6475 4.3151 4.3203 5.2746 5.3364 5.5956 5.6146 5.7626 5.7870 5.9239 5.9490 6.3667 6.4206 8.9629 8.9704 9.6121 9.6693 10.3587 10.4141 10.6229 10.6941 11.4122 11.4410 k = 0.3636 0.2099 0.2197 ( 4970 PWs) bands (ev): -4.1869 -4.1866 -4.0603 -4.0587 -3.4043 -3.4013 0.0074 0.0366 0.0463 0.0572 0.1025 0.1315 0.1400 0.1825 0.2207 0.2328 0.2740 0.2930 0.3199 0.3349 0.3403 0.3829 0.4613 0.4649 0.4896 0.4982 0.5039 0.5416 0.5573 0.5602 0.5908 0.6040 0.6308 0.6409 0.8091 0.8422 2.0308 2.0694 2.2299 2.2648 2.6326 2.6921 4.2507 4.2555 5.1931 5.2750 5.5635 5.5869 5.7202 5.7587 5.8968 5.9264 6.3535 6.4084 8.9594 8.9700 9.5919 9.6483 10.3511 10.4083 10.5964 10.6584 11.4292 11.4527 k = 0.3750 0.2165 0.2197 ( 4972 PWs) bands (ev): -4.1592 -4.1590 -4.0194 -4.0176 -3.4114 -3.4085 0.0095 0.0393 0.0493 0.0559 0.1021 0.1351 0.1386 0.1849 0.2228 0.2339 0.2767 0.2965 0.3185 0.3345 0.3469 0.3832 0.4626 0.4636 0.4923 0.4998 0.5051 0.5411 0.5577 0.5620 0.5918 0.6057 0.6369 0.6457 0.8132 0.8454 1.9574 1.9940 2.1662 2.1991 2.6866 2.7449 4.1901 4.1944 5.1096 5.2036 5.5357 5.5618 5.6860 5.7322 5.8725 5.9046 6.3420 6.3964 8.9581 8.9709 9.5748 9.6297 10.3466 10.4062 10.5729 10.6242 11.4518 11.4701 k = 0.3864 0.2231 0.2197 ( 4960 PWs) bands (ev): -4.1331 -4.1329 -3.9787 -3.9769 -3.4203 -3.4173 0.0114 0.0426 0.0497 0.0571 0.1017 0.1369 0.1392 0.1874 0.2251 0.2349 0.2784 0.2999 0.3167 0.3345 0.3534 0.3835 0.4619 0.4637 0.4955 0.5016 0.5064 0.5407 0.5579 0.5639 0.5928 0.6074 0.6433 0.6509 0.8154 0.8470 1.8861 1.9208 2.1077 2.1387 2.7453 2.8022 4.1338 4.1374 5.0251 5.1247 5.5123 5.5391 5.6583 5.7078 5.8508 5.8837 6.3322 6.3847 8.9583 8.9725 9.5605 9.6133 10.3445 10.4074 10.5531 10.5922 11.4797 11.4932 k = 0.3977 0.2296 0.2197 ( 4968 PWs) bands (ev): -4.1086 -4.1084 -3.9386 -3.9367 -3.4309 -3.4279 0.0129 0.0461 0.0477 0.0605 0.1011 0.1351 0.1437 0.1900 0.2277 0.2358 0.2793 0.3031 0.3148 0.3346 0.3597 0.3839 0.4600 0.4646 0.4991 0.5035 0.5078 0.5401 0.5579 0.5655 0.5940 0.6091 0.6498 0.6565 0.8157 0.8467 1.8187 1.8515 2.0549 2.0840 2.8065 2.8618 4.0820 4.0849 4.9407 5.0411 5.4928 5.5187 5.6358 5.6852 5.8316 5.8640 6.3238 6.3734 8.9598 8.9745 9.5487 9.5989 10.3441 10.4111 10.5376 10.5633 11.5128 11.5217 k = 0.4091 0.2362 0.2197 ( 4968 PWs) bands (ev): -4.0861 -4.0859 -3.8992 -3.8972 -3.4432 -3.4403 0.0143 0.0452 0.0499 0.0642 0.1006 0.1330 0.1484 0.1925 0.2304 0.2370 0.2793 0.3059 0.3128 0.3349 0.3657 0.3842 0.4580 0.4651 0.5030 0.5054 0.5095 0.5396 0.5579 0.5668 0.5954 0.6107 0.6563 0.6624 0.8142 0.8447 1.7562 1.7871 2.0084 2.0352 2.8686 2.9219 4.0354 4.0374 4.8577 4.9555 5.4765 5.5005 5.6174 5.6646 5.8148 5.8457 6.3167 6.3626 8.9621 8.9767 9.5393 9.5862 10.3445 10.4158 10.5272 10.5387 11.5510 11.5558 k = 0.4205 0.2427 0.2197 ( 4968 PWs) bands (ev): -4.0656 -4.0654 -3.8605 -3.8585 -3.4574 -3.4546 0.0156 0.0426 0.0538 0.0680 0.1002 0.1308 0.1533 0.1947 0.2334 0.2386 0.2786 0.3067 0.3125 0.3353 0.3714 0.3846 0.4562 0.4653 0.5067 0.5072 0.5119 0.5390 0.5577 0.5677 0.5970 0.6122 0.6629 0.6686 0.8111 0.8409 1.6995 1.7283 1.9681 1.9925 2.9303 2.9810 3.9943 3.9953 4.7775 4.8702 5.4631 5.4844 5.6024 5.6460 5.8003 5.8288 6.3110 6.3524 8.9648 8.9787 9.5321 9.5749 10.3448 10.4190 10.5205 10.5221 11.5944 11.5952 k = 0.4318 0.2493 0.2197 ( 4964 PWs) bands (ev): -4.0474 -4.0473 -3.8230 -3.8209 -3.4734 -3.4706 0.0169 0.0400 0.0577 0.0714 0.0999 0.1283 0.1583 0.1961 0.2366 0.2408 0.2773 0.3043 0.3147 0.3355 0.3764 0.3851 0.4546 0.4651 0.5091 0.5093 0.5156 0.5385 0.5575 0.5681 0.5990 0.6136 0.6694 0.6751 0.8066 0.8355 1.6493 1.6755 1.9341 1.9558 2.9903 3.0376 3.9590 3.9591 4.7015 4.7872 5.4521 5.4704 5.5905 5.6292 5.7881 5.8137 6.3065 6.3428 8.9678 8.9805 9.5268 9.5650 10.3447 10.4174 10.5114 10.5220 11.6374 11.6426 k = 0.4432 0.2559 0.2197 ( 4968 PWs) bands (ev): -4.0317 -4.0316 -3.7867 -3.7845 -3.4912 -3.4884 0.0181 0.0374 0.0614 0.0744 0.1000 0.1256 0.1633 0.1967 0.2400 0.2440 0.2755 0.3006 0.3176 0.3355 0.3808 0.3856 0.4535 0.4645 0.5108 0.5110 0.5201 0.5379 0.5573 0.5681 0.6013 0.6147 0.6757 0.6817 0.8013 0.8288 1.6062 1.6294 1.9064 1.9250 3.0470 3.0898 3.9289 3.9301 4.6318 4.7086 5.4432 5.4584 5.5812 5.6145 5.7782 5.8003 6.3032 6.3341 8.9708 8.9820 9.5234 9.5562 10.3442 10.4097 10.5120 10.5259 11.6285 11.6535 k = 0.4545 0.2624 0.2197 ( 4960 PWs) bands (ev): -4.0187 -4.0185 -3.7519 -3.7497 -3.5106 -3.5079 0.0195 0.0349 0.0650 0.0766 0.1007 0.1228 0.1683 0.1962 0.2435 0.2480 0.2734 0.2963 0.3205 0.3352 0.3842 0.3863 0.4529 0.4635 0.5123 0.5124 0.5246 0.5375 0.5572 0.5675 0.6039 0.6154 0.6818 0.6880 0.7960 0.8211 1.5707 1.5903 1.8845 1.8998 3.0987 3.1357 3.9052 3.9074 4.5706 4.6365 5.4363 5.4485 5.5746 5.6017 5.7706 5.7887 6.3011 6.3262 8.9737 8.9829 9.5215 9.5485 10.3440 10.3982 10.5189 10.5322 11.6175 11.6425 k = 0.4659 0.2690 0.2197 ( 4948 PWs) bands (ev): -4.0083 -4.0082 -3.7190 -3.7169 -3.5312 -3.5287 0.0210 0.0325 0.0683 0.0778 0.1021 0.1197 0.1731 0.1947 0.2472 0.2526 0.2712 0.2914 0.3233 0.3346 0.3867 0.3870 0.4531 0.4623 0.5135 0.5136 0.5287 0.5372 0.5575 0.5664 0.6065 0.6158 0.6874 0.6934 0.7916 0.8129 1.5433 1.5587 1.8684 1.8801 3.1434 3.1732 3.8879 3.8907 4.5207 4.5734 5.4314 5.4404 5.5703 5.5910 5.7653 5.7791 6.3002 6.3192 8.9762 8.9834 9.5210 9.5417 10.3445 10.3857 10.5284 10.5390 11.6109 11.6339 k = 0.4773 0.2756 0.2197 ( 4952 PWs) bands (ev): -4.0009 -4.0008 -3.6890 -3.6870 -3.5523 -3.5500 0.0226 0.0303 0.0712 0.0780 0.1042 0.1165 0.1777 0.1924 0.2508 0.2569 0.2696 0.2860 0.3259 0.3336 0.3877 0.3881 0.4540 0.4607 0.5143 0.5145 0.5319 0.5368 0.5582 0.5648 0.6091 0.6156 0.6924 0.6974 0.7890 0.8048 1.5243 1.5349 1.8577 1.8657 3.1791 3.2000 3.8768 3.8795 4.4851 4.5221 5.4283 5.4343 5.5683 5.5823 5.7622 5.7715 6.3005 6.3133 8.9785 8.9834 9.5218 9.5358 10.3465 10.3741 10.5375 10.5448 11.6085 11.6268 k = 0.4886 0.2821 0.2197 ( 4956 PWs) bands (ev): -3.9964 -3.9963 -3.6643 -3.6628 -3.5712 -3.5695 0.0243 0.0281 0.0738 0.0773 0.1069 0.1133 0.1820 0.1895 0.2543 0.2587 0.2706 0.2804 0.3283 0.3322 0.3884 0.3888 0.4553 0.4589 0.5149 0.5150 0.5342 0.5364 0.5594 0.5630 0.6115 0.6148 0.6964 0.6993 0.7890 0.7975 1.5139 1.5193 1.8523 1.8563 3.2038 3.2146 3.8711 3.8728 4.4664 4.4857 5.4270 5.4300 5.5686 5.5756 5.7613 5.7660 6.3020 6.3084 8.9804 8.9829 9.5238 9.5309 10.3503 10.3641 10.5444 10.5481 11.6101 11.6204 k = 0.5000 0.2887 0.2197 ( 4952 PWs) bands (ev): -3.9948 -3.9948 -3.6526 -3.6526 -3.5796 -3.5796 0.0261 0.0261 0.0758 0.0758 0.1100 0.1100 0.1859 0.1859 0.2572 0.2572 0.2749 0.2749 0.3304 0.3304 0.3888 0.3888 0.4571 0.4571 0.5152 0.5152 0.5356 0.5356 0.5611 0.5611 0.6134 0.6134 0.6988 0.6988 0.7920 0.7920 1.5123 1.5123 1.8518 1.8518 3.2158 3.2158 3.8700 3.8700 4.4666 4.4666 5.4276 5.4276 5.5710 5.5710 5.7625 5.7625 6.3046 6.3046 8.9819 8.9819 9.5269 9.5269 10.3561 10.3561 10.5481 10.5481 11.6145 11.6145 k = 0.5000 0.2887 0.2197 ( 4952 PWs) bands (ev): -3.9948 -3.9948 -3.6526 -3.6526 -3.5796 -3.5796 0.0261 0.0261 0.0758 0.0758 0.1100 0.1100 0.1859 0.1859 0.2572 0.2572 0.2749 0.2749 0.3304 0.3304 0.3888 0.3888 0.4571 0.4571 0.5152 0.5152 0.5356 0.5356 0.5611 0.5611 0.6134 0.6134 0.6988 0.6988 0.7920 0.7920 1.5123 1.5123 1.8518 1.8518 3.2158 3.2158 3.8700 3.8700 4.4666 4.4666 5.4276 5.4276 5.5710 5.5710 5.7625 5.7625 6.3046 6.3046 8.9819 8.9819 9.5269 9.5269 10.3561 10.3561 10.5481 10.5481 11.6145 11.6145 k = 0.4933 0.3002 0.2197 ( 4962 PWs) bands (ev): -3.9942 -3.9942 -3.6524 -3.6524 -3.5793 -3.5793 0.0247 0.0267 0.0760 0.0760 0.1084 0.1118 0.1845 0.1873 0.2545 0.2595 0.2727 0.2774 0.3280 0.3328 0.3881 0.3896 0.4530 0.4610 0.5132 0.5171 0.5347 0.5365 0.5597 0.5624 0.6130 0.6137 0.6989 0.6990 0.7901 0.7939 1.5116 1.5146 1.8528 1.8533 3.2143 3.2194 3.8677 3.8736 4.4659 4.4674 5.4071 5.4091 5.5186 5.5352 5.8000 5.8025 6.3028 6.3306 8.9800 8.9833 9.5236 9.5371 10.3594 10.3700 10.5409 10.5580 11.6186 11.6213 k = 0.4867 0.3118 0.2197 ( 4962 PWs) bands (ev): -3.9924 -3.9923 -3.6518 -3.6518 -3.5785 -3.5784 0.0227 0.0265 0.0764 0.0764 0.1071 0.1139 0.1831 0.1887 0.2517 0.2613 0.2708 0.2799 0.3257 0.3349 0.3875 0.3905 0.4492 0.4649 0.5114 0.5190 0.5340 0.5373 0.5581 0.5635 0.6126 0.6141 0.6992 0.6995 0.7881 0.7956 1.5127 1.5186 1.8563 1.8574 3.2148 3.2250 3.8668 3.8786 4.4653 4.4683 5.3498 5.3535 5.4235 5.4591 5.8682 5.8748 6.3241 6.3755 8.9785 8.9850 9.5275 9.5540 10.3767 10.4010 10.5359 10.5728 11.6258 11.6327 k = 0.4800 0.3233 0.2197 ( 4966 PWs) bands (ev): -3.9894 -3.9892 -3.6509 -3.6508 -3.5771 -3.5770 0.0200 0.0255 0.0770 0.0772 0.1062 0.1161 0.1818 0.1901 0.2486 0.2623 0.2696 0.2827 0.3235 0.3368 0.3871 0.3916 0.4455 0.4685 0.5099 0.5207 0.5336 0.5379 0.5566 0.5644 0.6122 0.6144 0.6999 0.7002 0.7862 0.7973 1.5154 1.5241 1.8624 1.8640 3.2172 3.2326 3.8671 3.8848 4.4648 4.4693 5.2583 5.2708 5.3216 5.3746 5.9353 5.9452 6.3620 6.4314 8.9797 8.9895 9.5384 9.5773 10.4014 10.4455 10.5342 10.5967 11.5262 11.5520 k = 0.4733 0.3349 0.2197 ( 4966 PWs) bands (ev): -3.9851 -3.9849 -3.6496 -3.6495 -3.5752 -3.5751 0.0168 0.0237 0.0779 0.0784 0.1056 0.1185 0.1805 0.1914 0.2455 0.2622 0.2694 0.2855 0.3216 0.3383 0.3869 0.3927 0.4421 0.4718 0.5088 0.5219 0.5336 0.5382 0.5551 0.5651 0.6119 0.6148 0.7008 0.7010 0.7843 0.7988 1.5196 1.5312 1.8712 1.8731 3.2217 3.2421 3.8685 3.8922 4.4642 4.4699 5.1486 5.1634 5.2239 5.2839 5.9925 6.0049 6.4088 6.4909 8.9866 8.9996 9.5564 9.6062 10.4250 10.4882 10.5479 10.6346 11.4306 11.4604 k = 0.4667 0.3464 0.2197 ( 4966 PWs) bands (ev): -3.9796 -3.9794 -3.6480 -3.6479 -3.5728 -3.5726 0.0131 0.0211 0.0790 0.0799 0.1053 0.1210 0.1793 0.1926 0.2424 0.2611 0.2699 0.2884 0.3200 0.3394 0.3868 0.3938 0.4392 0.4744 0.5082 0.5227 0.5341 0.5380 0.5538 0.5655 0.6116 0.6153 0.7019 0.7020 0.7826 0.8001 1.5252 1.5396 1.8825 1.8846 3.2280 3.2536 3.8709 3.9006 4.4630 4.4699 5.0301 5.0441 5.1267 5.1878 6.0367 6.0505 6.4581 6.5485 9.0022 9.0183 9.5809 9.6398 10.4407 10.5006 10.6018 10.6893 11.3482 11.3818 k = 0.4600 0.3580 0.2197 ( 4966 PWs) bands (ev): -3.9730 -3.9727 -3.6461 -3.6460 -3.5699 -3.5697 0.0090 0.0178 0.0802 0.0816 0.1054 0.1236 0.1781 0.1937 0.2393 0.2596 0.2706 0.2914 0.3187 0.3399 0.3869 0.3951 0.4368 0.4762 0.5083 0.5230 0.5351 0.5372 0.5529 0.5658 0.6115 0.6159 0.7031 0.7033 0.7810 0.8012 1.5320 1.5491 1.8966 1.8987 3.2361 3.2667 3.8742 3.9099 4.4609 4.4684 4.9078 4.9214 5.0280 5.0884 6.0660 6.0802 6.5054 6.6004 9.0291 9.0480 9.6115 9.6770 10.4475 10.4988 10.6764 10.7582 11.2819 11.3190 k = 0.4533 0.3695 0.2197 ( 4964 PWs) bands (ev): -3.9653 -3.9650 -3.6438 -3.6437 -3.5667 -3.5664 0.0044 0.0138 0.0817 0.0836 0.1058 0.1263 0.1770 0.1946 0.2363 0.2579 0.2713 0.2944 0.3177 0.3398 0.3869 0.3964 0.4350 0.4773 0.5091 0.5230 0.5357 0.5365 0.5523 0.5659 0.6115 0.6167 0.7041 0.7049 0.7795 0.8021 1.5399 1.5596 1.9134 1.9154 3.2459 3.2815 3.8779 3.9196 4.4568 4.4638 4.7852 4.8002 4.9287 4.9883 6.0799 6.0934 6.5478 6.6442 9.0686 9.0901 9.6472 9.7160 10.4472 10.4941 10.7572 10.8365 11.2345 11.2738 k = 0.4467 0.3811 0.2197 ( 4964 PWs) bands (ev): -3.9565 -3.9561 -3.6414 -3.6412 -3.5632 -3.5629 -0.0004 0.0092 0.0833 0.0858 0.1066 0.1290 0.1760 0.1952 0.2335 0.2563 0.2719 0.2975 0.3170 0.3393 0.3870 0.3978 0.4337 0.4775 0.5105 0.5229 0.5337 0.5380 0.5520 0.5659 0.6117 0.6176 0.7049 0.7065 0.7783 0.8027 1.5485 1.5707 1.9329 1.9346 3.2572 3.2977 3.8818 3.9293 4.4482 4.4517 4.6661 4.6862 4.8308 4.8898 6.0786 6.0907 6.5835 6.6784 9.1211 9.1449 9.6867 9.7551 10.4417 10.4889 10.8395 10.9199 11.2086 11.2477 k = 0.4400 0.3926 0.2197 ( 4968 PWs) bands (ev): -3.9467 -3.9463 -3.6387 -3.6385 -3.5594 -3.5590 -0.0056 0.0042 0.0851 0.0881 0.1077 0.1318 0.1751 0.1955 0.2309 0.2546 0.2725 0.3007 0.3165 0.3383 0.3872 0.3992 0.4331 0.4771 0.5124 0.5228 0.5314 0.5394 0.5519 0.5656 0.6122 0.6189 0.7056 0.7083 0.7773 0.8031 1.5576 1.5822 1.9552 1.9564 3.2697 3.3150 3.8851 3.9378 4.4198 4.4265 4.5601 4.5928 4.7362 4.7951 6.0632 6.0731 6.6114 6.7025 9.1860 9.2116 9.7286 9.7920 10.4329 10.4840 10.9205 11.0055 11.2066 11.2418 k = 0.4333 0.4041 0.2197 ( 4968 PWs) bands (ev): -3.9360 -3.9356 -3.6358 -3.6356 -3.5555 -3.5551 -0.0109 -0.0012 0.0870 0.0905 0.1091 0.1347 0.1743 0.1955 0.2285 0.2529 0.2731 0.3037 0.3161 0.3369 0.3875 0.4007 0.4329 0.4762 0.5143 0.5228 0.5290 0.5408 0.5519 0.5652 0.6130 0.6205 0.7060 0.7102 0.7765 0.8033 1.5670 1.5938 1.9804 1.9809 3.2831 3.3328 3.8868 3.9436 4.3513 4.3685 4.4913 4.5369 4.6477 4.7075 6.0353 6.0427 6.6311 6.7166 9.2616 9.2888 9.7712 9.8253 10.4227 10.4797 10.9988 11.0912 11.2300 11.2565 k = 0.4267 0.4157 0.2197 ( 4960 PWs) bands (ev): -3.9245 -3.9240 -3.6328 -3.6325 -3.5515 -3.5511 -0.0164 -0.0068 0.0892 0.0930 0.1109 0.1375 0.1736 0.1952 0.2264 0.2513 0.2738 0.3067 0.3159 0.3351 0.3880 0.4023 0.4331 0.4750 0.5158 0.5230 0.5270 0.5420 0.5518 0.5647 0.6141 0.6224 0.7062 0.7121 0.7760 0.8032 1.5764 1.6051 2.0080 2.0083 3.2968 3.3504 3.8853 3.9428 4.2585 4.2800 4.4549 4.5024 4.5729 4.6314 5.9969 6.0016 6.6425 6.7211 9.3461 9.3743 9.8128 9.8537 10.4123 10.4761 11.0756 11.1758 11.2775 11.2918 k = 0.4200 0.4272 0.2197 ( 4960 PWs) bands (ev): -3.9121 -3.9116 -3.6296 -3.6294 -3.5476 -3.5471 -0.0219 -0.0126 0.0914 0.0955 0.1128 0.1404 0.1730 0.1944 0.2247 0.2495 0.2745 0.3096 0.3158 0.3331 0.3889 0.4039 0.4336 0.4735 0.5158 0.5234 0.5262 0.5430 0.5517 0.5641 0.6156 0.6246 0.7059 0.7140 0.7757 0.8028 1.5856 1.6158 2.0379 2.0390 3.3100 3.3665 3.8774 3.9279 4.1648 4.1967 4.4179 4.4520 4.5310 4.5734 5.9503 5.9522 6.6460 6.7169 9.4368 9.4661 9.8524 9.8773 10.4028 10.4728 11.1546 11.2590 11.3444 11.3465 k = 0.4133 0.4388 0.2197 ( 4964 PWs) bands (ev): -3.8992 -3.8986 -3.6264 -3.6261 -3.5439 -3.5433 -0.0274 -0.0185 0.0938 0.0979 0.1150 0.1431 0.1726 0.1933 0.2232 0.2477 0.2755 0.3122 0.3157 0.3309 0.3901 0.4056 0.4343 0.4719 0.5139 0.5240 0.5270 0.5439 0.5516 0.5634 0.6174 0.6272 0.7053 0.7158 0.7755 0.8021 1.5941 1.6255 2.0705 2.0725 3.3211 3.3788 3.8577 3.8884 4.0848 4.1392 4.3699 4.3879 4.5133 4.5357 5.8968 5.8976 6.6426 6.7052 9.5315 9.5617 9.8893 9.8968 10.3947 10.4691 11.2396 11.3429 11.4164 11.4252 k = 0.4067 0.4503 0.2197 ( 4972 PWs) bands (ev): -3.8857 -3.8851 -3.6231 -3.6228 -3.5405 -3.5399 -0.0327 -0.0244 0.0962 0.1003 0.1173 0.1458 0.1723 0.1918 0.2220 0.2458 0.2766 0.3144 0.3156 0.3287 0.3919 0.4073 0.4350 0.4703 0.5109 0.5249 0.5287 0.5445 0.5513 0.5626 0.6196 0.6302 0.7042 0.7176 0.7754 0.8011 1.6019 1.6341 2.1058 2.1088 3.3280 3.3837 3.8221 3.8251 4.0285 4.1106 4.3168 4.3274 4.5008 4.5116 5.8376 5.8410 6.6331 6.6874 9.6274 9.6588 9.9137 9.9235 10.3882 10.4645 11.3312 11.4308 11.4951 11.5159 k = 0.4000 0.4619 0.2197 ( 4968 PWs) bands (ev): -3.8719 -3.8713 -3.6197 -3.6194 -3.5376 -3.5368 -0.0379 -0.0302 0.0988 0.1027 0.1197 0.1484 0.1721 0.1901 0.2211 0.2439 0.2779 0.3155 0.3160 0.3268 0.3943 0.4091 0.4358 0.4687 0.5074 0.5259 0.5306 0.5449 0.5511 0.5617 0.6222 0.6335 0.7028 0.7194 0.7754 0.7999 1.6087 1.6411 2.1439 2.1477 3.3265 3.3755 3.7539 3.7775 3.9952 4.0977 4.2676 4.2757 4.4881 4.4933 5.7767 5.7825 6.6188 6.6650 9.7220 9.7552 9.9296 9.9559 10.3829 10.4587 11.4270 11.5234 11.5760 11.6144 k = 0.3933 0.4734 0.2197 ( 4980 PWs) bands (ev): -3.8579 -3.8573 -3.6163 -3.6159 -3.5352 -3.5344 -0.0428 -0.0358 0.1013 0.1050 0.1221 0.1508 0.1722 0.1881 0.2204 0.2419 0.2794 0.3153 0.3166 0.3255 0.3972 0.4109 0.4366 0.4670 0.5035 0.5271 0.5325 0.5451 0.5509 0.5608 0.6252 0.6370 0.7009 0.7211 0.7755 0.7982 1.6144 1.6465 2.1847 2.1893 3.3109 3.3480 3.6910 3.7398 3.9752 4.0878 4.2291 4.2342 4.4734 4.4765 5.7160 5.7240 6.6011 6.6395 9.8120 9.8481 9.9465 9.9881 10.3787 10.4513 11.5214 11.6157 11.6491 11.7184 k = 0.3867 0.4850 0.2197 ( 4974 PWs) bands (ev): -3.8439 -3.8433 -3.6128 -3.6123 -3.5335 -3.5327 -0.0474 -0.0411 0.1039 0.1072 0.1245 0.1530 0.1725 0.1861 0.2200 0.2399 0.2810 0.3152 0.3158 0.3253 0.4006 0.4127 0.4374 0.4655 0.4994 0.5284 0.5342 0.5452 0.5507 0.5599 0.6285 0.6409 0.6986 0.7227 0.7755 0.7963 1.6189 1.6500 2.2280 2.2333 3.2755 3.2994 3.6469 3.7183 3.9624 4.0744 4.2028 4.2048 4.4559 4.4590 5.6571 5.6670 6.5812 6.6124 9.8934 9.9297 9.9713 10.0229 10.3754 10.4425 11.6027 11.6658 11.7219 11.7947 k = 0.3800 0.4965 0.2197 ( 4986 PWs) bands (ev): -3.8302 -3.8297 -3.6090 -3.6084 -3.5328 -3.5318 -0.0516 -0.0460 0.1064 0.1092 0.1268 0.1551 0.1729 0.1839 0.2197 0.2379 0.2828 0.3139 0.3149 0.3258 0.4043 0.4145 0.4383 0.4640 0.4950 0.5298 0.5356 0.5452 0.5506 0.5589 0.6321 0.6450 0.6960 0.7242 0.7753 0.7940 1.6222 1.6516 2.2739 2.2797 3.2205 3.2344 3.6235 3.7111 3.9556 4.0578 4.1800 4.1932 4.4351 4.4402 5.6017 5.6131 6.5606 6.5852 9.9603 9.9698 10.0332 10.0641 10.3734 10.4324 11.6421 11.6500 11.8089 11.8141 k = 0.3733 0.5081 0.2197 ( 4978 PWs) bands (ev): -3.8172 -3.8166 -3.6050 -3.6043 -3.5330 -3.5320 -0.0553 -0.0505 0.1087 0.1112 0.1288 0.1571 0.1735 0.1816 0.2198 0.2358 0.2849 0.3116 0.3147 0.3266 0.4083 0.4163 0.4395 0.4627 0.4905 0.5314 0.5367 0.5450 0.5507 0.5580 0.6360 0.6494 0.6930 0.7256 0.7751 0.7915 1.6244 1.6515 2.3221 2.3282 3.1520 3.1606 3.6154 3.7118 3.9564 4.0426 4.1635 4.1890 4.4107 4.4194 5.5512 5.5636 6.5404 6.5592 9.9923 10.0096 10.1060 10.1122 10.3738 10.4218 11.6141 11.6284 11.8739 11.8914 k = 0.3667 0.5196 0.2197 ( 4982 PWs) bands (ev): -3.8051 -3.8046 -3.6005 -3.5997 -3.5345 -3.5334 -0.0584 -0.0545 0.1109 0.1129 0.1306 0.1590 0.1741 0.1794 0.2201 0.2338 0.2870 0.3092 0.3144 0.3272 0.4122 0.4180 0.4411 0.4615 0.4858 0.5329 0.5374 0.5448 0.5510 0.5570 0.6401 0.6538 0.6897 0.7269 0.7748 0.7886 1.6257 1.6497 2.3722 2.3784 3.0773 3.0837 3.6160 3.7148 3.9663 4.0329 4.1513 4.1874 4.3824 4.3968 5.5068 5.5195 6.5217 6.5354 10.0145 10.0460 10.1589 10.1700 10.3787 10.4118 11.5737 11.5933 11.9485 11.9666 k = 0.3600 0.5312 0.2197 ( 4982 PWs) bands (ev): -3.7943 -3.7939 -3.5954 -3.5944 -3.5372 -3.5361 -0.0610 -0.0579 0.1128 0.1144 0.1321 0.1609 0.1747 0.1772 0.2206 0.2318 0.2892 0.3068 0.3141 0.3277 0.4157 0.4196 0.4432 0.4605 0.4808 0.5343 0.5378 0.5445 0.5514 0.5561 0.6442 0.6582 0.6861 0.7282 0.7744 0.7855 1.6263 1.6466 2.4238 2.4298 3.0016 3.0079 3.6203 3.7177 3.9854 4.0303 4.1421 4.1861 4.3504 4.3728 5.4698 5.4819 6.5055 6.5150 10.0377 10.0753 10.1947 10.2200 10.3898 10.4045 11.5347 11.5545 12.0222 12.0334 k = 0.3533 0.5427 0.2197 ( 4982 PWs) bands (ev): -3.7853 -3.7850 -3.5894 -3.5883 -3.5414 -3.5402 -0.0629 -0.0607 0.1145 0.1157 0.1332 0.1629 0.1750 0.1752 0.2214 0.2298 0.2915 0.3044 0.3137 0.3280 0.4185 0.4211 0.4462 0.4597 0.4757 0.5357 0.5380 0.5441 0.5519 0.5553 0.6482 0.6624 0.6824 0.7293 0.7740 0.7824 1.6266 1.6425 2.4755 2.4811 2.9290 2.9363 3.6257 3.7200 4.0113 4.0344 4.1361 4.1840 4.3150 4.3483 5.4409 5.4516 6.4925 6.4985 10.0614 10.0991 10.2169 10.2514 10.4029 10.4059 11.5010 11.5187 12.0899 12.0903 k = 0.3467 0.5543 0.2197 ( 4994 PWs) bands (ev): -3.7786 -3.7784 -3.5823 -3.5810 -3.5472 -3.5460 -0.0643 -0.0628 0.1157 0.1165 0.1339 0.1649 0.1729 0.1755 0.2224 0.2280 0.2938 0.3021 0.3134 0.3282 0.4204 0.4223 0.4501 0.4591 0.4704 0.5368 0.5381 0.5438 0.5524 0.5545 0.6517 0.6664 0.6786 0.7302 0.7738 0.7793 1.6270 1.6381 2.5250 2.5299 2.8635 2.8726 3.6307 3.7220 4.0385 4.0434 4.1366 4.1809 4.2768 4.3252 5.4209 5.4290 6.4831 6.4864 10.0845 10.1159 10.2302 10.2633 10.4074 10.4219 11.4761 11.4895 12.1351 12.1484 k = 0.3400 0.5658 0.2197 ( 4986 PWs) bands (ev): -3.7743 -3.7742 -3.5740 -3.5725 -3.5547 -3.5534 -0.0649 -0.0642 0.1166 0.1170 0.1343 0.1670 0.1709 0.1756 0.2236 0.2263 0.2960 0.3000 0.3132 0.3283 0.4214 0.4232 0.4547 0.4587 0.4650 0.5376 0.5380 0.5436 0.5529 0.5538 0.6544 0.6698 0.6752 0.7310 0.7740 0.7767 1.6280 1.6338 2.5660 2.5694 2.8128 2.8239 3.6342 3.7237 4.0537 4.0570 4.1509 4.1771 4.2379 4.3070 5.4099 5.4145 6.4776 6.4790 10.1047 10.1227 10.2413 10.2611 10.4129 10.4321 11.4622 11.4697 12.1650 12.1938 k = 0.3333 0.5774 0.2197 ( 4986 PWs) bands (ev): -3.7729 -3.7729 -3.5659 -3.5629 -3.5626 -3.5626 -0.0649 -0.0649 0.1171 0.1171 0.1344 0.1690 0.1690 0.1755 0.2249 0.2249 0.2980 0.2980 0.3131 0.3283 0.4217 0.4235 0.4587 0.4597 0.4597 0.5379 0.5379 0.5435 0.5533 0.5533 0.6555 0.6724 0.6724 0.7313 0.7749 0.7749 1.6302 1.6302 2.5847 2.5847 2.7921 2.8041 3.6356 3.7245 4.0605 4.0605 4.1724 4.1724 4.2117 4.2996 5.4080 5.4080 6.4762 6.4762 10.1186 10.1186 10.2524 10.2524 10.4149 10.4350 11.4603 11.4603 12.1759 12.2139 k = 0.3333 0.5774 0.2197 ( 4986 PWs) bands (ev): -3.7729 -3.7729 -3.5659 -3.5629 -3.5626 -3.5626 -0.0649 -0.0649 0.1171 0.1171 0.1344 0.1690 0.1690 0.1755 0.2249 0.2249 0.2980 0.2980 0.3131 0.3283 0.4217 0.4235 0.4587 0.4597 0.4597 0.5379 0.5379 0.5435 0.5533 0.5533 0.6555 0.6724 0.6724 0.7313 0.7749 0.7749 1.6302 1.6302 2.5847 2.5847 2.7921 2.8041 3.6356 3.7245 4.0605 4.0605 4.1724 4.1724 4.2117 4.2996 5.4080 5.4080 6.4762 6.4762 10.1186 10.1186 10.2524 10.2524 10.4149 10.4350 11.4603 11.4603 12.1759 12.2139 k = 0.3267 0.5658 0.2197 ( 4990 PWs) bands (ev): -3.7743 -3.7742 -3.5757 -3.5740 -3.5534 -3.5518 -0.0649 -0.0643 0.1165 0.1171 0.1343 0.1673 0.1704 0.1757 0.2237 0.2262 0.2962 0.2997 0.3132 0.3283 0.4214 0.4230 0.4547 0.4589 0.4649 0.5378 0.5378 0.5435 0.5530 0.5537 0.6543 0.6708 0.6741 0.7309 0.7744 0.7766 1.6281 1.6341 2.5659 2.5712 2.8115 2.8235 3.6339 3.7232 4.0511 4.0585 4.1553 4.1683 4.2436 4.3081 5.4094 5.4147 6.4778 6.4786 10.1053 10.1219 10.2413 10.2588 10.4143 10.4343 11.4610 11.4699 12.1645 12.1906 k = 0.3200 0.5543 0.2197 ( 4988 PWs) bands (ev): -3.7787 -3.7785 -3.5889 -3.5873 -3.5416 -3.5399 -0.0641 -0.0630 0.1154 0.1167 0.1341 0.1657 0.1706 0.1768 0.2230 0.2274 0.2945 0.3009 0.3137 0.3283 0.4208 0.4214 0.4504 0.4593 0.4700 0.5372 0.5378 0.5436 0.5528 0.5540 0.6512 0.6700 0.6746 0.7295 0.7756 0.7795 1.6280 1.6402 2.5274 2.5375 2.8562 2.8700 3.6284 3.7181 4.0271 4.0451 4.1404 4.1690 4.2969 4.3330 5.4182 5.4295 6.4836 6.4848 10.0859 10.1131 10.2250 10.2517 10.4169 10.4378 11.4699 11.4884 12.1326 12.1346 k = 0.3133 0.5427 0.2197 ( 4976 PWs) bands (ev): -3.7858 -3.7856 -3.6043 -3.6026 -3.5291 -3.5272 -0.0626 -0.0611 0.1137 0.1160 0.1337 0.1642 0.1696 0.1783 0.2229 0.2284 0.2930 0.3015 0.3147 0.3284 0.4181 0.4198 0.4473 0.4600 0.4748 0.5365 0.5378 0.5435 0.5528 0.5543 0.6469 0.6690 0.6739 0.7272 0.7787 0.7838 1.6306 1.6490 2.4839 2.4979 2.9111 2.9289 3.6184 3.7076 3.9906 4.0223 4.1436 4.1782 4.3564 4.3707 5.4338 5.4516 6.4932 6.4943 10.0623 10.0946 10.1974 10.2260 10.4294 10.4514 11.4839 11.5124 12.0639 12.0858 k = 0.3067 0.5312 0.2197 ( 4976 PWs) bands (ev): -3.7956 -3.7953 -3.6217 -3.6200 -3.5160 -3.5140 -0.0604 -0.0587 0.1114 0.1148 0.1332 0.1629 0.1680 0.1798 0.2233 0.2292 0.2916 0.3015 0.3161 0.3286 0.4132 0.4184 0.4454 0.4610 0.4791 0.5355 0.5378 0.5431 0.5530 0.5544 0.6421 0.6674 0.6721 0.7239 0.7834 0.7893 1.6363 1.6609 2.4416 2.4590 2.9688 2.9932 3.6044 3.6905 3.9499 3.9950 4.1614 4.1965 4.4175 4.4198 5.4556 5.4801 6.5060 6.5067 10.0360 10.0698 10.1568 10.1842 10.4526 10.4743 11.4995 11.5376 11.9861 12.0299 k = 0.3000 0.5196 0.2197 ( 4980 PWs) bands (ev): -3.8078 -3.8075 -3.6413 -3.6395 -3.5027 -3.5005 -0.0576 -0.0558 0.1085 0.1133 0.1326 0.1616 0.1659 0.1807 0.2245 0.2298 0.2903 0.3011 0.3176 0.3289 0.4070 0.4169 0.4444 0.4621 0.4828 0.5344 0.5379 0.5423 0.5533 0.5544 0.6370 0.6650 0.6693 0.7200 0.7894 0.7960 1.6458 1.6764 2.4028 2.4233 3.0250 3.0591 3.5879 3.6666 3.9116 3.9676 4.1902 4.2234 4.4708 4.4863 5.4828 5.5142 6.5214 6.5216 10.0075 10.0406 10.1070 10.1322 10.4839 10.5024 11.5134 11.5600 11.9048 11.9692 k = 0.2933 0.5081 0.2197 ( 4976 PWs) bands (ev): -3.8225 -3.8221 -3.6630 -3.6612 -3.4893 -3.4871 -0.0542 -0.0525 0.1052 0.1114 0.1318 0.1604 0.1636 0.1812 0.2265 0.2300 0.2891 0.3003 0.3191 0.3293 0.3999 0.4151 0.4441 0.4634 0.4858 0.5332 0.5381 0.5411 0.5537 0.5544 0.6319 0.6621 0.6657 0.7156 0.7962 0.8036 1.6594 1.6958 2.3686 2.3920 3.0750 3.1233 3.5728 3.6375 3.8799 3.9430 4.2282 4.2583 4.5290 4.5554 5.5149 5.5532 6.5384 6.5389 9.9766 10.0052 10.0548 10.0756 10.5203 10.5326 11.5227 11.5756 11.8221 11.9064 k = 0.2867 0.4965 0.2197 ( 4980 PWs) bands (ev): -3.8394 -3.8390 -3.6867 -3.6849 -3.4763 -3.4739 -0.0504 -0.0489 0.1015 0.1090 0.1310 0.1593 0.1612 0.1811 0.2291 0.2300 0.2880 0.2991 0.3205 0.3297 0.3924 0.4131 0.4441 0.4647 0.4881 0.5319 0.5383 0.5393 0.5542 0.5542 0.6268 0.6588 0.6615 0.7109 0.8035 0.8118 1.6775 1.7194 2.3396 2.3657 3.1128 3.1805 3.5651 3.6083 3.8565 3.9233 4.2737 4.3006 4.5912 4.6267 5.5511 5.5962 6.5566 6.5578 9.9406 9.9569 10.0113 10.0206 10.5595 10.5630 11.5251 11.5818 11.7394 11.8439 k = 0.2800 0.4850 0.2197 ( 4980 PWs) bands (ev): -3.8584 -3.8580 -3.7124 -3.7106 -3.4636 -3.4612 -0.0460 -0.0450 0.0974 0.1063 0.1300 0.1582 0.1586 0.1805 0.2297 0.2321 0.2869 0.2978 0.3218 0.3301 0.3848 0.4110 0.4444 0.4662 0.4898 0.5306 0.5370 0.5386 0.5541 0.5547 0.6219 0.6554 0.6568 0.7058 0.8109 0.8203 1.7003 1.7473 2.3162 2.3448 3.1313 3.2218 3.5722 3.5894 3.8419 3.9098 4.3257 4.3492 4.6565 4.6999 5.5909 5.6427 6.5757 6.5775 9.8947 9.8961 9.9752 9.9790 10.5920 10.6001 11.5198 11.5775 11.6578 11.7834 k = 0.2733 0.4734 0.2197 ( 4984 PWs) bands (ev): -3.8794 -3.8790 -3.7401 -3.7383 -3.4514 -3.4490 -0.0414 -0.0408 0.0931 0.1032 0.1289 0.1559 0.1572 0.1796 0.2292 0.2355 0.2859 0.2961 0.3229 0.3303 0.3773 0.4087 0.4447 0.4677 0.4908 0.5291 0.5342 0.5390 0.5539 0.5553 0.6171 0.6520 0.6520 0.7005 0.8179 0.8287 1.7280 1.7799 2.2987 2.3296 3.1265 3.2350 3.5944 3.5988 3.8360 3.9036 4.3832 4.4036 4.7244 4.7747 5.6336 5.6919 6.5950 6.5974 9.8304 9.8377 9.9424 9.9529 10.6181 10.6410 11.5066 11.5631 11.5786 11.7263 k = 0.2667 0.4619 0.2197 ( 4988 PWs) bands (ev): -3.9023 -3.9019 -3.7696 -3.7678 -3.4400 -3.4375 -0.0366 -0.0365 0.0886 0.0997 0.1277 0.1532 0.1561 0.1785 0.2286 0.2388 0.2848 0.2943 0.3238 0.3303 0.3701 0.4063 0.4452 0.4692 0.4913 0.5276 0.5311 0.5394 0.5536 0.5558 0.6126 0.6471 0.6488 0.6950 0.8243 0.8367 1.7607 1.8171 2.2873 2.3202 3.1005 3.2161 3.6281 3.6428 3.8392 3.9057 4.4454 4.4629 4.7945 4.8509 5.6787 5.7434 6.6140 6.6169 9.7636 9.7753 9.9185 9.9309 10.6403 10.6811 11.4835 11.5054 11.5404 11.6737 k = 0.2600 0.4503 0.2197 ( 4984 PWs) bands (ev): -3.9270 -3.9266 -3.8009 -3.7991 -3.4294 -3.4269 -0.0322 -0.0314 0.0842 0.0959 0.1264 0.1506 0.1551 0.1772 0.2278 0.2420 0.2838 0.2922 0.3245 0.3300 0.3635 0.4038 0.4457 0.4707 0.4913 0.5257 0.5277 0.5398 0.5533 0.5563 0.6083 0.6421 0.6459 0.6894 0.8297 0.8439 1.7984 1.8591 2.2823 2.3170 3.0594 3.1738 3.6808 3.6977 3.8535 3.9180 4.5118 4.5266 4.8663 4.9282 5.7259 5.7966 6.6323 6.6354 9.6974 9.7115 9.9008 9.9129 10.6576 10.7193 11.4251 11.4659 11.5116 11.6268 k = 0.2533 0.4388 0.2197 ( 4976 PWs) bands (ev): -3.9533 -3.9529 -3.8337 -3.8319 -3.4197 -3.4171 -0.0278 -0.0264 0.0797 0.0919 0.1250 0.1480 0.1541 0.1760 0.2271 0.2449 0.2828 0.2898 0.3250 0.3293 0.3574 0.4013 0.4462 0.4720 0.4909 0.5230 0.5249 0.5403 0.5530 0.5567 0.6044 0.6373 0.6432 0.6836 0.8338 0.8500 1.8410 1.9058 2.2837 2.3200 3.0085 3.1188 3.7382 3.7558 3.8834 3.9434 4.5818 4.5941 4.9397 5.0063 5.7746 5.8509 6.6495 6.6525 9.6330 9.6487 9.8885 9.8992 10.6690 10.7543 11.3580 11.4365 11.4790 11.5863 k = 0.2467 0.4272 0.2197 ( 4968 PWs) bands (ev): -3.9812 -3.9807 -3.8680 -3.8663 -3.4110 -3.4083 -0.0235 -0.0215 0.0753 0.0875 0.1235 0.1454 0.1531 0.1748 0.2263 0.2470 0.2817 0.2874 0.3255 0.3281 0.3522 0.3988 0.4468 0.4733 0.4902 0.5195 0.5226 0.5407 0.5527 0.5571 0.6007 0.6326 0.6407 0.6777 0.8365 0.8549 1.8883 1.9572 2.2916 2.3294 2.9520 3.0576 3.7885 3.8101 3.9350 3.9856 4.6550 4.6648 5.0143 5.0849 5.8245 5.9059 6.6651 6.6675 9.5711 9.5881 9.8814 9.8900 10.6741 10.7847 11.2967 11.4057 11.4444 11.5527 k = 0.2400 0.4157 0.2197 ( 4970 PWs) bands (ev): -4.0104 -4.0099 -3.9036 -3.9019 -3.4033 -3.4006 -0.0193 -0.0169 0.0712 0.0830 0.1220 0.1430 0.1522 0.1737 0.2255 0.2483 0.2806 0.2848 0.3258 0.3264 0.3478 0.3964 0.4474 0.4745 0.4893 0.5158 0.5205 0.5412 0.5523 0.5572 0.5973 0.6280 0.6384 0.6717 0.8376 0.8582 1.9400 2.0131 2.3059 2.3452 2.8928 2.9940 3.8294 3.8576 4.0071 4.0457 4.7309 4.7383 5.0897 5.1637 5.8752 5.9612 6.6788 6.6802 9.5125 9.5303 9.8797 9.8857 10.6729 10.8082 11.2439 11.3742 11.4095 11.5262 k = 0.2333 0.4041 0.2197 ( 4982 PWs) bands (ev): -4.0408 -4.0404 -3.9404 -3.9387 -3.3967 -3.3939 -0.0153 -0.0127 0.0675 0.0782 0.1203 0.1406 0.1513 0.1727 0.2247 0.2487 0.2793 0.2821 0.3242 0.3260 0.3444 0.3940 0.4481 0.4754 0.4881 0.5122 0.5182 0.5416 0.5519 0.5573 0.5943 0.6236 0.6362 0.6657 0.8369 0.8599 1.9957 2.0732 2.3264 2.3673 2.8328 2.9305 3.8670 3.9003 4.0923 4.1201 4.8092 4.8142 5.1658 5.2423 5.9264 6.0162 6.6901 6.6903 9.4578 9.4762 9.8835 9.8864 10.6658 10.8222 11.2023 11.3433 11.3753 11.5062 k = 0.2267 0.3926 0.2197 ( 4994 PWs) bands (ev): -4.0724 -4.0720 -3.9781 -3.9765 -3.3911 -3.3883 -0.0114 -0.0092 0.0644 0.0734 0.1187 0.1383 0.1504 0.1719 0.2239 0.2480 0.2780 0.2792 0.3215 0.3262 0.3419 0.3917 0.4488 0.4762 0.4868 0.5088 0.5160 0.5420 0.5516 0.5571 0.5915 0.6194 0.6341 0.6597 0.8344 0.8599 2.0544 2.1369 2.3526 2.3956 2.7744 2.8691 3.9056 3.9424 4.1851 4.2038 4.8895 4.8919 5.2422 5.3204 5.9778 6.0704 6.6969 6.6996 9.4075 9.4262 9.8922 9.8928 10.6539 10.8243 11.1744 11.3140 11.3430 11.4920 k = 0.2200 0.3811 0.2197 ( 4986 PWs) bands (ev): -4.1049 -4.1045 -4.0167 -4.0151 -3.3866 -3.3838 -0.0077 -0.0065 0.0620 0.0685 0.1170 0.1362 0.1496 0.1712 0.2232 0.2465 0.2761 0.2766 0.3183 0.3262 0.3405 0.3896 0.4496 0.4768 0.4853 0.5058 0.5137 0.5424 0.5512 0.5567 0.5890 0.6154 0.6322 0.6537 0.8301 0.8581 2.1151 2.2032 2.3836 2.4296 2.7201 2.8122 3.9475 3.9864 4.2824 4.2934 4.9712 4.9716 5.3188 5.3975 6.0291 6.1235 6.7007 6.7066 9.3621 9.3808 9.9032 9.9078 10.6385 10.8139 11.1610 11.2870 11.3133 11.4821 k = 0.2133 0.3695 0.2197 ( 4984 PWs) bands (ev): -4.1383 -4.1379 -4.0559 -4.0543 -3.3832 -3.3804 -0.0047 -0.0043 0.0604 0.0636 0.1154 0.1343 0.1490 0.1707 0.2224 0.2443 0.2726 0.2751 0.3147 0.3262 0.3400 0.3877 0.4504 0.4772 0.4837 0.5030 0.5115 0.5427 0.5508 0.5562 0.5869 0.6116 0.6302 0.6479 0.8242 0.8547 2.1754 2.2688 2.4181 2.4681 2.6747 2.7631 3.9934 4.0339 4.3830 4.3867 5.0515 5.0552 5.3951 5.4732 6.0801 6.1749 6.7011 6.7113 9.3221 9.3404 9.9192 9.9283 10.6212 10.7935 11.1598 11.2632 11.2872 11.4752 k = 0.2067 0.3580 0.2197 ( 4992 PWs) bands (ev): -4.1722 -4.1719 -4.0955 -4.0940 -3.3809 -3.3781 -0.0039 -0.0012 0.0588 0.0595 0.1138 0.1325 0.1483 0.1703 0.2216 0.2414 0.2686 0.2734 0.3108 0.3261 0.3403 0.3859 0.4513 0.4774 0.4818 0.5005 0.5094 0.5430 0.5505 0.5554 0.5849 0.6080 0.6282 0.6421 0.8168 0.8497 2.2311 2.3247 2.4564 2.5096 2.6471 2.7281 4.0436 4.0855 4.4825 4.4860 5.1325 5.1399 5.4710 5.5470 6.1305 6.2241 6.6983 6.7140 9.2881 9.3056 9.9398 9.9539 10.6034 10.7673 11.1671 11.2432 11.2650 11.4701 k = 0.2000 0.3464 0.2197 ( 4992 PWs) bands (ev): -4.2067 -4.2064 -4.1355 -4.1341 -3.3797 -3.3769 -0.0040 0.0017 0.0541 0.0593 0.1123 0.1310 0.1478 0.1701 0.2207 0.2383 0.2641 0.2717 0.3066 0.3260 0.3411 0.3843 0.4522 0.4773 0.4798 0.4983 0.5074 0.5432 0.5501 0.5545 0.5832 0.6046 0.6262 0.6365 0.8080 0.8432 2.2744 2.3504 2.5074 2.5522 2.6489 2.7165 4.0982 4.1414 4.5800 4.5909 5.2137 5.2256 5.5463 5.6185 6.1802 6.2706 6.6925 6.7151 9.2604 9.2766 9.9647 9.9843 10.5868 10.7390 11.1794 11.2275 11.2474 11.4656 k = 0.1933 0.3349 0.2197 ( 4996 PWs) bands (ev): -4.2416 -4.2412 -4.1756 -4.1743 -3.3794 -3.3766 -0.0049 0.0042 0.0495 0.0595 0.1110 0.1297 0.1473 0.1699 0.2197 0.2348 0.2591 0.2699 0.3023 0.3259 0.3424 0.3827 0.4532 0.4770 0.4775 0.4964 0.5057 0.5434 0.5497 0.5534 0.5817 0.6013 0.6241 0.6311 0.7981 0.8355 2.2949 2.3375 2.5780 2.5983 2.6811 2.7360 4.1570 4.2016 4.6785 4.6972 5.2947 5.3119 5.6206 5.6872 6.2288 6.3138 6.6837 6.7149 9.2395 9.2539 9.9933 10.0187 10.5725 10.7115 11.1937 11.2170 11.2346 11.4611 k = 0.1867 0.3233 0.2197 ( 4998 PWs) bands (ev): -4.2766 -4.2763 -4.2158 -4.2144 -3.3801 -3.3773 -0.0063 0.0063 0.0451 0.0599 0.1100 0.1286 0.1469 0.1699 0.2186 0.2310 0.2538 0.2681 0.2979 0.3258 0.3438 0.3813 0.4543 0.4750 0.4765 0.4946 0.5042 0.5434 0.5493 0.5522 0.5804 0.5983 0.6221 0.6259 0.7872 0.8267 2.2888 2.3025 2.6557 2.6612 2.7342 2.7825 4.2199 4.2660 4.7774 4.8045 5.3749 5.3986 5.6939 5.7525 6.2762 6.3534 6.6725 6.7141 9.2257 9.2378 10.0249 10.0565 10.5619 10.6867 11.2036 11.2173 11.2269 11.4562 k = 0.1800 0.3118 0.2197 ( 5002 PWs) bands (ev): -4.3117 -4.3114 -4.2557 -4.2545 -3.3817 -3.3790 -0.0082 0.0080 0.0409 0.0601 0.1093 0.1278 0.1466 0.1699 0.2174 0.2270 0.2484 0.2663 0.2934 0.3258 0.3453 0.3800 0.4553 0.4724 0.4757 0.4929 0.5029 0.5434 0.5490 0.5509 0.5792 0.5954 0.6200 0.6209 0.7756 0.8170 2.2586 2.2630 2.7268 2.7512 2.8005 2.8462 4.2866 4.3345 4.8762 4.9126 5.4538 5.4855 5.7659 5.8142 6.3217 6.3888 6.6595 6.7133 9.2194 9.2285 10.0587 10.0966 10.5560 10.6658 11.2046 11.2243 11.2325 11.4507 k = 0.1733 0.3002 0.2197 ( 5008 PWs) bands (ev): -4.3467 -4.3465 -4.2954 -4.2942 -3.3842 -3.3815 -0.0102 0.0092 0.0371 0.0598 0.1090 0.1271 0.1463 0.1699 0.2160 0.2226 0.2429 0.2644 0.2889 0.3259 0.3468 0.3788 0.4565 0.4697 0.4747 0.4914 0.5019 0.5433 0.5485 0.5495 0.5781 0.5927 0.6161 0.6179 0.7635 0.8067 2.2115 2.2264 2.8085 2.8441 2.8775 2.9207 4.3568 4.4069 4.9743 5.0211 5.5310 5.5724 5.8364 5.8719 6.3647 6.4199 6.6455 6.7135 9.2208 9.2262 10.0938 10.1381 10.5557 10.6496 11.2080 11.2266 11.2513 11.4447 k = 0.1667 0.2887 0.2197 ( 5008 PWs) bands (ev): -4.3815 -4.3813 -4.3346 -4.3334 -3.3874 -3.3847 -0.0124 0.0100 0.0335 0.0590 0.1092 0.1266 0.1461 0.1700 0.2145 0.2177 0.2378 0.2627 0.2845 0.3259 0.3482 0.3778 0.4576 0.4669 0.4734 0.4899 0.5011 0.5432 0.5481 0.5482 0.5770 0.5901 0.6116 0.6158 0.7510 0.7959 2.1640 2.1848 2.8976 2.9361 2.9660 3.0030 4.4302 4.4828 5.0711 5.1297 5.6058 5.6590 5.9051 5.9254 6.4037 6.4466 6.6323 6.7152 9.2299 9.2313 10.1295 10.1799 10.5615 10.6385 11.2154 11.2337 11.2720 11.4388 k = 0.1600 0.2771 0.2197 ( 5018 PWs) bands (ev): -4.4160 -4.4157 -4.3732 -4.3721 -3.3913 -3.3887 -0.0146 0.0102 0.0303 0.0573 0.1098 0.1263 0.1459 0.1700 0.2123 0.2128 0.2332 0.2609 0.2801 0.3260 0.3494 0.3767 0.4587 0.4641 0.4719 0.4885 0.5004 0.5429 0.5469 0.5477 0.5760 0.5877 0.6073 0.6136 0.7385 0.7848 2.1173 2.1415 2.9918 3.0265 3.0648 3.0915 4.5064 4.5619 5.1658 5.2379 5.6778 5.7450 5.9716 5.9748 6.4359 6.4695 6.6227 6.7191 9.2436 9.2468 10.1649 10.2212 10.5736 10.6326 11.2267 11.2449 11.2946 11.4334 k = 0.1533 0.2656 0.2197 ( 5008 PWs) bands (ev): -4.4499 -4.4497 -4.4111 -4.4100 -3.3959 -3.3933 -0.0167 0.0098 0.0274 0.0550 0.1109 0.1262 0.1458 0.1700 0.2065 0.2110 0.2292 0.2593 0.2759 0.3262 0.3503 0.3758 0.4599 0.4613 0.4702 0.4873 0.4999 0.5427 0.5457 0.5472 0.5750 0.5854 0.6033 0.6115 0.7261 0.7736 2.0720 2.0982 3.0900 3.1183 3.1698 3.1850 4.5849 4.6440 5.2577 5.3455 5.7465 5.8303 6.0203 6.0355 6.4568 6.4897 6.6217 6.7256 9.2632 9.2714 10.1993 10.2614 10.5914 10.6320 11.2412 11.2594 11.3195 11.4292 k = 0.1467 0.2540 0.2197 ( 5004 PWs) bands (ev): -4.4833 -4.4831 -4.4481 -4.4472 -3.4010 -3.3985 -0.0186 0.0089 0.0249 0.0518 0.1122 0.1263 0.1457 0.1698 0.2005 0.2090 0.2257 0.2577 0.2719 0.3264 0.3511 0.3748 0.4585 0.4608 0.4684 0.4861 0.4995 0.5424 0.5446 0.5467 0.5741 0.5833 0.5996 0.6093 0.7138 0.7624 2.0286 2.0557 3.1914 3.2129 3.2783 3.2828 4.6652 4.7285 5.3457 5.4519 5.8116 5.9144 6.0623 6.0960 6.4623 6.5089 6.6333 6.7347 9.2898 9.3034 10.2321 10.3004 10.6139 10.6366 11.2575 11.2757 11.3466 11.4271 k = 0.1400 0.2425 0.2197 ( 4996 PWs) bands (ev): -4.5159 -4.5158 -4.4843 -4.4833 -3.4065 -3.4042 -0.0205 0.0076 0.0224 0.0480 0.1138 0.1264 0.1457 0.1693 0.1947 0.2069 0.2226 0.2560 0.2682 0.3267 0.3515 0.3740 0.4558 0.4612 0.4669 0.4851 0.4991 0.5420 0.5436 0.5462 0.5731 0.5812 0.5961 0.6072 0.7020 0.7513 1.9872 2.0146 3.2955 3.3106 3.3842 3.3895 4.7468 4.8150 5.4286 5.5565 5.8729 5.9966 6.1018 6.1522 6.4545 6.5291 6.6562 6.7468 9.3233 9.3423 10.2625 10.3383 10.6394 10.6463 11.2741 11.2921 11.3756 11.4275 k = 0.1333 0.2309 0.2197 ( 5000 PWs) bands (ev): -4.5477 -4.5476 -4.5193 -4.5185 -3.4125 -3.4102 -0.0221 0.0059 0.0199 0.0435 0.1155 0.1267 0.1456 0.1682 0.1893 0.2047 0.2199 0.2541 0.2651 0.3270 0.3515 0.3731 0.4530 0.4605 0.4663 0.4841 0.4988 0.5416 0.5426 0.5455 0.5721 0.5792 0.5929 0.6050 0.6906 0.7404 1.9481 1.9753 3.4019 3.4110 3.4883 3.5026 4.8289 4.9029 5.5052 5.6587 5.9306 6.0748 6.1412 6.2035 6.4387 6.5521 6.6854 6.7621 9.3631 9.3874 10.2898 10.3753 10.6616 10.6666 11.2883 11.3060 11.4055 11.4306 k = 0.1267 0.2194 0.2197 ( 5008 PWs) bands (ev): -4.5786 -4.5785 -4.5533 -4.5524 -3.4188 -3.4166 -0.0236 0.0041 0.0172 0.0384 0.1172 0.1271 0.1456 0.1663 0.1851 0.2024 0.2174 0.2518 0.2626 0.3274 0.3512 0.3723 0.4504 0.4585 0.4667 0.4832 0.4986 0.5413 0.5418 0.5448 0.5710 0.5774 0.5899 0.6028 0.6799 0.7298 1.9112 1.9380 3.5102 3.5138 3.5946 3.6172 4.9109 4.9916 5.5739 5.7577 5.9849 6.1412 6.1878 6.2496 6.4203 6.5783 6.7173 6.7820 9.4085 9.4381 10.3132 10.4109 10.6830 10.6944 11.2968 11.3144 11.4348 11.4353 k = 0.1200 0.2078 0.2197 ( 5004 PWs) bands (ev): -4.6085 -4.6083 -4.5859 -4.5852 -3.4253 -3.4232 -0.0248 0.0022 0.0141 0.0328 0.1189 0.1276 0.1456 0.1633 0.1822 0.2001 0.2152 0.2492 0.2609 0.3278 0.3505 0.3715 0.4478 0.4558 0.4675 0.4825 0.4984 0.5409 0.5412 0.5441 0.5700 0.5756 0.5871 0.6007 0.6699 0.7196 1.8766 1.9027 3.6185 3.6200 3.7025 3.7327 4.9918 5.0803 5.6332 5.8522 6.0362 6.1872 6.2480 6.2918 6.4051 6.6066 6.7503 6.8082 9.4587 9.4932 10.3316 10.4437 10.7115 10.7233 11.2953 11.3137 11.4398 11.4612 k = 0.1133 0.1963 0.2197 ( 5008 PWs) bands (ev): -4.6372 -4.6370 -4.6173 -4.6166 -3.4320 -3.4300 -0.0259 0.0002 0.0107 0.0269 0.1206 0.1282 0.1456 0.1594 0.1806 0.1978 0.2133 0.2463 0.2597 0.3283 0.3495 0.3706 0.4453 0.4528 0.4685 0.4817 0.4984 0.5405 0.5406 0.5434 0.5689 0.5740 0.5844 0.5985 0.6607 0.7099 1.8443 1.8695 3.7248 3.7310 3.8113 3.8488 5.0706 5.1679 5.6820 5.9402 6.0846 6.2245 6.2991 6.3320 6.4075 6.6345 6.7837 6.8428 9.5127 9.5516 10.3441 10.4713 10.7481 10.7551 11.2792 11.2994 11.4419 11.4819 k = 0.1067 0.1848 0.2197 ( 5016 PWs) bands (ev): -4.6647 -4.6646 -4.6472 -4.6466 -3.4387 -3.4368 -0.0268 -0.0016 0.0067 0.0205 0.1221 0.1287 0.1456 0.1553 0.1798 0.1956 0.2115 0.2433 0.2591 0.3288 0.3480 0.3698 0.4428 0.4497 0.4695 0.4810 0.4984 0.5401 0.5402 0.5425 0.5678 0.5725 0.5819 0.5964 0.6524 0.7007 1.8143 1.8385 3.8320 3.8427 3.9205 3.9648 5.1462 5.2533 5.7201 6.0181 6.1305 6.2611 6.3158 6.3728 6.4488 6.6595 6.8179 6.8869 9.5692 9.6119 10.3500 10.4902 10.7927 10.7932 11.2456 11.2675 11.4409 11.4942 k = 0.1000 0.1732 0.2197 ( 5012 PWs) bands (ev): -4.6909 -4.6908 -4.6757 -4.6751 -3.4455 -3.4437 -0.0275 -0.0034 0.0023 0.0140 0.1235 0.1294 0.1455 0.1513 0.1794 0.1934 0.2099 0.2404 0.2588 0.3295 0.3460 0.3689 0.4404 0.4465 0.4705 0.4804 0.4987 0.5397 0.5400 0.5418 0.5667 0.5711 0.5794 0.5942 0.6451 0.6921 1.7866 1.8097 3.9396 3.9544 4.0297 4.0804 5.2175 5.3350 5.7478 6.0791 6.1738 6.2975 6.3224 6.4160 6.5114 6.6811 6.8537 6.9397 9.6266 9.6726 10.3491 10.4977 10.8385 10.8470 11.1939 11.2168 11.4362 11.4956 k = 0.0933 0.1617 0.2197 ( 5024 PWs) bands (ev): -4.7157 -4.7157 -4.7027 -4.7021 -3.4521 -3.4504 -0.0281 -0.0052 -0.0025 0.0072 0.1247 0.1300 0.1454 0.1476 0.1792 0.1914 0.2085 0.2375 0.2588 0.3302 0.3436 0.3680 0.4381 0.4433 0.4714 0.4799 0.4990 0.5391 0.5398 0.5410 0.5655 0.5698 0.5770 0.5921 0.6387 0.6839 1.7612 1.7830 4.0471 4.0655 4.1384 4.1949 5.2832 5.4111 5.7667 6.1132 6.2149 6.3217 6.3592 6.4627 6.5761 6.7002 6.8927 6.9993 9.6834 9.7317 10.3416 10.4929 10.8922 10.9090 11.1260 11.1500 11.4277 11.4852 k = 0.0867 0.1501 0.2197 ( 5020 PWs) bands (ev): -4.7392 -4.7391 -4.7280 -4.7274 -3.4586 -3.4571 -0.0284 -0.0076 -0.0068 0.0004 0.1258 0.1307 0.1444 0.1454 0.1792 0.1894 0.2073 0.2348 0.2591 0.3310 0.3409 0.3671 0.4360 0.4402 0.4722 0.4793 0.4995 0.5384 0.5398 0.5405 0.5643 0.5687 0.5745 0.5900 0.6333 0.6764 1.7378 1.7584 4.1540 4.1753 4.2463 4.3078 5.3422 5.4791 5.7791 6.1183 6.2543 6.3523 6.4154 6.5128 6.6362 6.7182 6.9366 7.0634 9.7377 9.7875 10.3278 10.4763 10.9478 10.9776 11.0451 11.0749 11.4156 11.4637 k = 0.0800 0.1386 0.2197 ( 5024 PWs) bands (ev): -4.7611 -4.7610 -4.7516 -4.7511 -3.4649 -3.4635 -0.0287 -0.0130 -0.0084 -0.0064 0.1268 0.1313 0.1418 0.1453 0.1792 0.1876 0.2063 0.2322 0.2596 0.3318 0.3378 0.3661 0.4339 0.4373 0.4729 0.4788 0.5002 0.5374 0.5398 0.5403 0.5630 0.5676 0.5721 0.5879 0.6288 0.6694 1.7167 1.7358 4.2594 4.2826 4.3531 4.4184 5.3937 5.5361 5.7877 6.1038 6.2931 6.3936 6.4789 6.5655 6.6888 6.7365 6.9869 7.1298 9.7875 9.8379 10.3078 10.4493 10.9485 10.9533 11.0475 11.0513 11.4029 11.4341 k = 0.0733 0.1270 0.2197 ( 5024 PWs) bands (ev): -4.7815 -4.7814 -4.7736 -4.7731 -3.4710 -3.4696 -0.0288 -0.0185 -0.0131 -0.0099 0.1276 0.1318 0.1397 0.1451 0.1792 0.1859 0.2055 0.2298 0.2604 0.3323 0.3347 0.3650 0.4319 0.4345 0.4736 0.4783 0.5011 0.5363 0.5399 0.5402 0.5618 0.5666 0.5699 0.5859 0.6252 0.6630 1.6975 1.7152 4.3627 4.3867 4.4586 4.5261 5.4371 5.5790 5.7955 6.0793 6.3322 6.4410 6.5450 6.6196 6.7329 6.7564 7.0442 7.1970 9.8309 9.8809 10.2818 10.4130 10.8553 10.8614 11.0951 11.1220 11.3976 11.4047 k = 0.0667 0.1155 0.2197 ( 5032 PWs) bands (ev): -4.8003 -4.8002 -4.7937 -4.7933 -3.4767 -3.4754 -0.0287 -0.0240 -0.0196 -0.0114 0.1282 0.1322 0.1381 0.1449 0.1792 0.1844 0.2049 0.2276 0.2614 0.3298 0.3345 0.3639 0.4300 0.4320 0.4742 0.4778 0.5022 0.5349 0.5401 0.5403 0.5605 0.5654 0.5680 0.5839 0.6223 0.6571 1.6804 1.6966 4.4633 4.4864 4.5622 4.6301 5.4723 5.6057 5.8044 6.0494 6.3723 6.4922 6.6105 6.6739 6.7695 6.7786 7.1072 7.2636 9.8665 9.9151 10.2499 10.3687 10.7530 10.7601 11.1322 11.1724 11.3961 11.4150 k = 0.0600 0.1039 0.2197 ( 5028 PWs) bands (ev): -4.8174 -4.8173 -4.8121 -4.8117 -3.4820 -3.4809 -0.0294 -0.0286 -0.0257 -0.0127 0.1288 0.1322 0.1373 0.1447 0.1792 0.1830 0.2045 0.2254 0.2627 0.3257 0.3355 0.3627 0.4283 0.4297 0.4747 0.4774 0.5033 0.5336 0.5404 0.5405 0.5592 0.5636 0.5669 0.5820 0.6202 0.6518 1.6652 1.6798 4.5603 4.5812 4.6633 4.7297 5.4998 5.6173 5.8137 6.0163 6.4137 6.5452 6.6729 6.7272 6.8012 6.8039 7.1739 7.3283 9.8931 9.9395 10.2123 10.3174 10.6494 10.6560 11.1390 11.1762 11.4370 11.4673 k = 0.0533 0.0924 0.2197 ( 5024 PWs) bands (ev): -4.8328 -4.8328 -4.8286 -4.8283 -3.4869 -3.4859 -0.0346 -0.0318 -0.0281 -0.0140 0.1292 0.1319 0.1371 0.1444 0.1791 0.1819 0.2044 0.2234 0.2642 0.3214 0.3368 0.3614 0.4268 0.4277 0.4751 0.4771 0.5047 0.5321 0.5408 0.5408 0.5578 0.5615 0.5664 0.5802 0.6188 0.6469 1.6518 1.6649 4.6530 4.6704 4.7609 4.8239 5.5202 5.6171 5.8208 5.9810 6.4557 6.5974 6.7302 6.7784 6.8311 6.8327 7.2421 7.3901 9.9104 9.9538 10.1696 10.2607 10.5471 10.5529 11.1218 11.1447 11.5186 11.5476 k = 0.0467 0.0808 0.2197 ( 5034 PWs) bands (ev): -4.8466 -4.8465 -4.8433 -4.8430 -3.4913 -3.4904 -0.0394 -0.0371 -0.0278 -0.0153 0.1295 0.1315 0.1374 0.1441 0.1790 0.1808 0.2044 0.2214 0.2660 0.3169 0.3381 0.3601 0.4253 0.4260 0.4754 0.4767 0.5061 0.5305 0.5412 0.5413 0.5565 0.5594 0.5661 0.5784 0.6178 0.6425 1.6403 1.6518 4.7405 4.7538 4.8534 4.9117 5.5349 5.6097 5.8227 5.9440 6.4976 6.6457 6.7802 6.8256 6.8632 6.8652 7.3098 7.4477 9.9191 9.9587 10.1230 10.2003 10.4491 10.4538 11.0937 11.1026 11.6177 11.6421 k = 0.0400 0.0693 0.2197 ( 5030 PWs) bands (ev): -4.8585 -4.8585 -4.8560 -4.8558 -3.4951 -3.4944 -0.0438 -0.0419 -0.0273 -0.0165 0.1298 0.1310 0.1378 0.1438 0.1788 0.1800 0.2048 0.2196 0.2681 0.3123 0.3395 0.3587 0.4241 0.4245 0.4756 0.4765 0.5077 0.5289 0.5418 0.5418 0.5552 0.5573 0.5661 0.5767 0.6174 0.6386 1.6305 1.6404 4.8221 4.8310 4.9392 4.9917 5.5453 5.5988 5.8180 5.9056 6.5381 6.6859 6.8228 6.8671 6.8994 6.9012 7.3752 7.5000 9.9205 9.9557 10.0742 10.1385 10.3577 10.3615 11.0610 11.0626 11.7229 11.7392 k = 0.0333 0.0577 0.2197 ( 5034 PWs) bands (ev): -4.8687 -4.8687 -4.8668 -4.8666 -3.4985 -3.4979 -0.0476 -0.0462 -0.0267 -0.0177 0.1299 0.1307 0.1383 0.1434 0.1786 0.1793 0.2052 0.2178 0.2704 0.3077 0.3410 0.3572 0.4230 0.4232 0.4757 0.4763 0.5093 0.5272 0.5424 0.5424 0.5538 0.5554 0.5662 0.5752 0.6173 0.6350 1.6225 1.6308 4.8968 4.9017 5.0160 5.0619 5.5534 5.5877 5.8063 5.8660 6.5764 6.7147 6.8612 6.9026 6.9374 6.9385 7.4367 7.5457 9.9165 9.9468 10.0258 10.0780 10.2756 10.2784 11.0243 11.0326 11.8248 11.8249 k = 0.0267 0.0462 0.2197 ( 5038 PWs) bands (ev): -4.8771 -4.8771 -4.8756 -4.8754 -3.5012 -3.5007 -0.0508 -0.0497 -0.0261 -0.0188 0.1300 0.1304 0.1389 0.1430 0.1784 0.1788 0.2059 0.2161 0.2731 0.3032 0.3426 0.3557 0.4221 0.4222 0.4758 0.4761 0.5110 0.5255 0.5431 0.5431 0.5525 0.5536 0.5665 0.5737 0.6177 0.6318 1.6161 1.6227 4.9636 4.9654 5.0809 5.1197 5.5618 5.5798 5.7881 5.8257 6.6116 6.7314 6.8972 6.9327 6.9731 6.9736 7.4927 7.5834 9.9094 9.9342 9.9807 10.0217 10.2050 10.2068 10.9945 11.0058 11.8910 11.9075 k = 0.0200 0.0346 0.2197 ( 5040 PWs) bands (ev): -4.8837 -4.8837 -4.8824 -4.8823 -3.5034 -3.5030 -0.0534 -0.0526 -0.0254 -0.0199 0.1301 0.1302 0.1395 0.1426 0.1782 0.1784 0.2068 0.2145 0.2760 0.2987 0.3442 0.3541 0.4214 0.4215 0.4759 0.4760 0.5128 0.5237 0.5438 0.5439 0.5513 0.5519 0.5669 0.5724 0.6184 0.6289 1.6114 1.6164 5.0211 5.0212 5.1311 5.1621 5.5730 5.5788 5.7645 5.7854 6.6434 6.7379 6.9297 6.9568 7.0033 7.0035 7.5416 7.6118 9.9016 9.9203 9.9425 9.9727 10.1478 10.1490 10.9721 10.9834 11.9444 11.9637 k = 0.0133 0.0231 0.2197 ( 5044 PWs) bands (ev): -4.8885 -4.8885 -4.8873 -4.8872 -3.5049 -3.5047 -0.0552 -0.0547 -0.0246 -0.0209 0.1301 0.1301 0.1400 0.1421 0.1781 0.1781 0.2077 0.2130 0.2791 0.2944 0.3458 0.3525 0.4209 0.4209 0.4759 0.4759 0.5146 0.5219 0.5446 0.5447 0.5501 0.5505 0.5675 0.5711 0.6194 0.6264 1.6082 1.6116 5.0671 5.0677 5.1647 5.1868 5.5869 5.5886 5.7378 5.7466 6.6712 6.7362 6.9561 6.9741 7.0262 7.0262 7.5816 7.6296 9.8950 9.9063 9.9152 9.9339 10.1059 10.1064 10.9573 10.9662 11.9871 12.0025 k = 0.0067 0.0115 0.2197 ( 5046 PWs) bands (ev): -4.8914 -4.8914 -4.8902 -4.8901 -3.5058 -3.5057 -0.0562 -0.0560 -0.0237 -0.0219 0.1300 0.1301 0.1406 0.1416 0.1779 0.1780 0.2089 0.2115 0.2826 0.2902 0.3475 0.3508 0.4206 0.4206 0.4759 0.4759 0.5164 0.5201 0.5454 0.5454 0.5492 0.5494 0.5682 0.5700 0.6207 0.6242 1.6067 1.6084 5.0995 5.0997 5.1831 5.1948 5.6024 5.6061 5.7121 5.7139 6.6948 6.7279 6.9744 6.9834 7.0404 7.0404 7.6113 7.6357 9.8911 9.8938 9.9016 9.9079 10.0803 10.0805 10.9497 10.9546 12.0167 12.0251 k = 0.0000 0.0000 0.2197 ( 5042 PWs) bands (ev): -4.8923 -4.8923 -4.8911 -4.8911 -3.5061 -3.5061 -0.0565 -0.0565 -0.0228 -0.0228 0.1300 0.1300 0.1411 0.1411 0.1779 0.1779 0.2102 0.2102 0.2863 0.2863 0.3491 0.3491 0.4205 0.4205 0.4759 0.4759 0.5182 0.5182 0.5457 0.5457 0.5489 0.5489 0.5691 0.5691 0.6223 0.6223 1.6068 1.6068 5.1118 5.1118 5.1919 5.1919 5.6139 5.6139 5.6992 5.6992 6.7139 6.7139 6.9836 6.9836 7.0453 7.0453 7.6296 7.6296 9.8898 9.8898 9.8977 9.8977 10.0717 10.0717 10.9489 10.9489 12.0300 12.0300 k = 0.5000 0.2887 0.2197 ( 4952 PWs) bands (ev): -3.9948 -3.9948 -3.6526 -3.6526 -3.5796 -3.5796 0.0261 0.0261 0.0758 0.0758 0.1100 0.1100 0.1859 0.1859 0.2572 0.2572 0.2749 0.2749 0.3304 0.3304 0.3888 0.3888 0.4571 0.4571 0.5152 0.5152 0.5356 0.5356 0.5611 0.5611 0.6134 0.6134 0.6988 0.6988 0.7920 0.7920 1.5123 1.5123 1.8518 1.8518 3.2158 3.2158 3.8700 3.8700 4.4666 4.4666 5.4276 5.4276 5.5710 5.5710 5.7625 5.7625 6.3046 6.3046 8.9819 8.9819 9.5269 9.5269 10.3561 10.3561 10.5481 10.5481 11.6145 11.6145 k = 0.5000 0.2887 0.2068 ( 4958 PWs) bands (ev): -3.9951 -3.9951 -3.6526 -3.6526 -3.5793 -3.5792 0.0250 0.0274 0.0729 0.0788 0.1097 0.1101 0.1860 0.1863 0.2530 0.2608 0.2736 0.2763 0.3287 0.3323 0.3877 0.3896 0.4555 0.4584 0.5134 0.5173 0.5346 0.5367 0.5607 0.5612 0.6107 0.6162 0.6954 0.7018 0.7919 0.7921 1.5138 1.5152 1.8459 1.8504 3.2154 3.2279 3.8493 3.8555 4.4837 4.4887 5.4113 5.4394 5.5640 5.5753 5.7561 5.7722 6.2921 6.3131 8.9711 8.9852 9.5332 9.5403 10.2915 10.3798 10.4931 10.5966 11.5505 11.5670 k = 0.5000 0.2887 0.1938 ( 4962 PWs) bands (ev): -3.9959 -3.9958 -3.6526 -3.6526 -3.5783 -3.5782 0.0241 0.0290 0.0702 0.0816 0.1089 0.1100 0.1866 0.1872 0.2482 0.2638 0.2725 0.2774 0.3274 0.3344 0.3863 0.3902 0.4537 0.4595 0.5120 0.5198 0.5336 0.5377 0.5601 0.5608 0.6083 0.6189 0.6915 0.7041 0.7920 0.7924 1.5197 1.5224 1.8332 1.8420 3.2258 3.2510 3.7999 3.8120 4.5341 4.5435 5.3906 5.4466 5.5546 5.5761 5.7533 5.7846 6.2762 6.3170 8.9551 8.9815 9.5582 9.5716 10.2059 10.3220 10.4752 10.6186 11.4281 11.4516 k = 0.5000 0.2887 0.1809 ( 4970 PWs) bands (ev): -3.9971 -3.9970 -3.6526 -3.6526 -3.5766 -3.5765 0.0235 0.0307 0.0678 0.0841 0.1078 0.1102 0.1876 0.1883 0.2428 0.2662 0.2718 0.2784 0.3264 0.3365 0.3848 0.3903 0.4519 0.4603 0.5111 0.5224 0.5327 0.5388 0.5594 0.5598 0.6062 0.6215 0.6873 0.7059 0.7920 0.7927 1.5298 1.5339 1.8147 1.8270 3.2446 3.2835 3.7343 3.7528 4.6057 4.6193 5.3656 5.4494 5.5435 5.5728 5.7540 5.7993 6.2580 6.3164 8.9371 8.9733 9.5976 9.6169 10.1072 10.2148 10.4677 10.6110 11.2901 11.3174 k = 0.5000 0.2887 0.1680 ( 4966 PWs) bands (ev): -3.9987 -3.9986 -3.6527 -3.6526 -3.5744 -3.5742 0.0231 0.0326 0.0657 0.0858 0.1064 0.1110 0.1890 0.1898 0.2369 0.2678 0.2716 0.2793 0.3259 0.3386 0.3831 0.3902 0.4501 0.4608 0.5106 0.5249 0.5321 0.5401 0.5584 0.5588 0.6045 0.6238 0.6829 0.7070 0.7921 0.7932 1.5441 1.5494 1.7914 1.8067 3.2674 3.3213 3.6642 3.6907 4.6885 4.7069 5.3366 5.4485 5.5312 5.5647 5.7581 5.8155 6.2390 6.3117 8.9206 8.9639 9.6436 9.6722 10.0034 10.0897 10.4467 10.5781 11.1500 11.1806 k = 0.5000 0.2887 0.1551 ( 4966 PWs) bands (ev): -4.0006 -4.0005 -3.6527 -3.6527 -3.5716 -3.5715 0.0231 0.0346 0.0639 0.0865 0.1048 0.1128 0.1906 0.1913 0.2306 0.2678 0.2717 0.2808 0.3257 0.3408 0.3813 0.3896 0.4483 0.4609 0.5106 0.5268 0.5321 0.5414 0.5564 0.5584 0.6033 0.6257 0.6786 0.7074 0.7922 0.7937 1.5621 1.5687 1.7648 1.7822 3.2853 3.3541 3.6040 3.6390 4.7757 4.8003 5.3033 5.4445 5.5184 5.5514 5.7649 5.8326 6.2207 6.3035 8.9079 8.9561 9.6780 9.7333 9.9116 9.9561 10.4127 10.5279 11.0126 11.0468 k = 0.5000 0.2887 0.1422 ( 4962 PWs) bands (ev): -4.0028 -4.0028 -3.6528 -3.6527 -3.5685 -3.5683 0.0233 0.0365 0.0625 0.0861 0.1032 0.1157 0.1924 0.1928 0.2240 0.2663 0.2724 0.2831 0.3259 0.3429 0.3795 0.3887 0.4467 0.4606 0.5108 0.5273 0.5332 0.5429 0.5541 0.5585 0.6025 0.6270 0.6744 0.7073 0.7922 0.7942 1.5836 1.5914 1.7363 1.7550 3.2840 3.3571 3.5804 3.6137 4.8620 4.8952 5.2660 5.4376 5.5059 5.5336 5.7738 5.8500 6.2049 6.2927 8.9007 8.9519 9.6523 9.7879 9.8269 9.8797 10.3703 10.4683 10.8808 10.9192 k = 0.5000 0.2887 0.1292 ( 4960 PWs) bands (ev): -4.0052 -4.0051 -3.6528 -3.6528 -3.5651 -3.5649 0.0237 0.0384 0.0616 0.0848 0.1016 0.1194 0.1941 0.1942 0.2176 0.2633 0.2735 0.2861 0.3263 0.3449 0.3777 0.3873 0.4452 0.4600 0.5114 0.5269 0.5349 0.5446 0.5517 0.5593 0.6020 0.6276 0.6707 0.7066 0.7923 0.7947 1.6078 1.6169 1.7074 1.7264 3.2537 3.3142 3.6102 3.6255 4.9425 4.9878 5.2251 5.4275 5.4947 5.5143 5.7841 5.8669 6.1929 6.2806 8.9000 8.9526 9.5580 9.6739 9.8638 9.9147 10.3235 10.4053 10.7569 10.8004 k = 0.5000 0.2887 0.1163 ( 4976 PWs) bands (ev): -4.0077 -4.0076 -3.6529 -3.6529 -3.5616 -3.5614 0.0244 0.0400 0.0609 0.0829 0.1003 0.1236 0.1946 0.1959 0.2117 0.2593 0.2751 0.2894 0.3267 0.3468 0.3759 0.3856 0.4439 0.4591 0.5122 0.5261 0.5363 0.5462 0.5493 0.5608 0.6017 0.6273 0.6677 0.7053 0.7923 0.7952 1.6325 1.6443 1.6810 1.6980 3.2010 3.2474 3.6680 3.6716 5.0110 5.0703 5.1852 5.4124 5.4862 5.4996 5.7951 5.8827 6.1859 6.2685 8.9061 8.9586 9.4421 9.5362 9.9201 9.9675 10.2755 10.3427 10.6443 10.6941 k = 0.5000 0.2887 0.1034 ( 4984 PWs) bands (ev): -4.0102 -4.0101 -3.6530 -3.6530 -3.5580 -3.5578 0.0253 0.0413 0.0607 0.0806 0.0995 0.1281 0.1935 0.1974 0.2075 0.2545 0.2771 0.2930 0.3272 0.3486 0.3742 0.3834 0.4428 0.4579 0.5131 0.5253 0.5370 0.5457 0.5495 0.5631 0.6016 0.6260 0.6656 0.7036 0.7924 0.7956 1.6391 1.6609 1.6759 1.6829 3.1377 3.1743 3.7292 3.7471 5.0588 5.0966 5.1887 5.3925 5.4825 5.4969 5.8065 5.8965 6.1844 6.2579 8.9189 8.9701 9.3231 9.4018 9.9653 10.0150 10.2281 10.2831 10.5489 10.6056 k = 0.5000 0.2887 0.0905 ( 4978 PWs) bands (ev): -4.0126 -4.0125 -3.6530 -3.6530 -3.5545 -3.5544 0.0265 0.0423 0.0606 0.0782 0.0995 0.1325 0.1903 0.1987 0.2059 0.2492 0.2795 0.2966 0.3279 0.3503 0.3727 0.3809 0.4421 0.4564 0.5141 0.5245 0.5372 0.5435 0.5519 0.5660 0.6016 0.6237 0.6646 0.7015 0.7925 0.7958 1.6180 1.6384 1.7019 1.7094 3.0717 3.1015 3.8012 3.8297 5.0511 5.0764 5.2463 5.3739 5.4871 5.5091 5.8179 5.9075 6.1884 6.2501 8.9380 8.9865 9.2077 9.2739 9.9921 10.0420 10.1814 10.2280 10.4807 10.5421 k = 0.5000 0.2887 0.0775 ( 4976 PWs) bands (ev): -4.0148 -4.0148 -3.6531 -3.6531 -3.5512 -3.5511 0.0279 0.0430 0.0605 0.0756 0.1004 0.1363 0.1861 0.1997 0.2059 0.2435 0.2822 0.2999 0.3287 0.3518 0.3712 0.3780 0.4416 0.4548 0.5151 0.5238 0.5371 0.5414 0.5548 0.5692 0.6016 0.6204 0.6647 0.6989 0.7926 0.7960 1.5954 1.6137 1.7326 1.7405 3.0075 3.0322 3.8795 3.9164 4.9917 5.0597 5.2948 5.3618 5.5045 5.5346 5.8290 5.9150 6.1974 6.2465 8.9623 9.0055 9.1014 9.1549 9.9947 10.0359 10.1358 10.1782 10.4502 10.5091 k = 0.5000 0.2887 0.0646 ( 4978 PWs) bands (ev): -4.0169 -4.0168 -3.6531 -3.6531 -3.5483 -3.5482 0.0295 0.0433 0.0605 0.0731 0.1023 0.1388 0.1826 0.2003 0.2066 0.2375 0.2851 0.3025 0.3300 0.3530 0.3700 0.3749 0.4414 0.4531 0.5162 0.5231 0.5367 0.5395 0.5580 0.5723 0.6015 0.6165 0.6656 0.6961 0.7928 0.7959 1.5753 1.5912 1.7634 1.7711 2.9480 2.9684 3.9613 4.0047 4.9273 5.0154 5.3237 5.3553 5.5355 5.5680 5.8398 5.9185 6.2104 6.2473 8.9884 8.9894 9.0438 9.0498 9.9725 9.9980 10.0948 10.1345 10.4551 10.5038 k = 0.5000 0.2887 0.0517 ( 4970 PWs) bands (ev): -4.0186 -4.0185 -3.6532 -3.6532 -3.5457 -3.5456 0.0312 0.0431 0.0605 0.0707 0.1052 0.1393 0.1811 0.2005 0.2076 0.2316 0.2882 0.3042 0.3320 0.3538 0.3689 0.3717 0.4416 0.4513 0.5172 0.5226 0.5363 0.5380 0.5616 0.5751 0.6014 0.6124 0.6673 0.6929 0.7930 0.7958 1.5585 1.5718 1.7925 1.7995 2.8954 2.9119 4.0440 4.0922 4.8608 4.9538 5.3373 5.3515 5.5733 5.6023 5.8504 5.9182 6.2258 6.2520 8.9105 8.9472 9.0282 9.0639 9.9316 9.9437 10.0633 10.0975 10.4793 10.5158 k = 0.5000 0.2887 0.0388 ( 4966 PWs) bands (ev): -4.0200 -4.0200 -3.6532 -3.6532 -3.5436 -3.5435 0.0331 0.0426 0.0606 0.0685 0.1090 0.1375 0.1820 0.1999 0.2087 0.2259 0.2914 0.3047 0.3349 0.3539 0.3679 0.3689 0.4420 0.4495 0.5181 0.5220 0.5358 0.5368 0.5653 0.5771 0.6012 0.6085 0.6696 0.6895 0.7933 0.7956 1.5455 1.5558 1.8182 1.8241 2.8519 2.8645 4.1251 4.1751 4.7960 4.8837 5.3426 5.3489 5.6095 5.6320 5.8607 5.9144 6.2418 6.2592 8.8425 8.8709 9.0584 9.0881 9.8841 9.8882 10.0415 10.0677 10.5085 10.5340 k = 0.5000 0.2887 0.0258 ( 4968 PWs) bands (ev): -4.0210 -4.0210 -3.6533 -3.6533 -3.5421 -3.5420 0.0350 0.0416 0.0611 0.0664 0.1134 0.1338 0.1849 0.1986 0.2100 0.2209 0.2945 0.3040 0.3385 0.3527 0.3669 0.3670 0.4427 0.4478 0.5190 0.5215 0.5354 0.5359 0.5691 0.5781 0.6011 0.6051 0.6723 0.6860 0.7936 0.7952 1.5366 1.5436 1.8388 1.8430 2.8195 2.8281 4.2007 4.2466 4.7397 4.8123 5.3444 5.3470 5.6388 5.6539 5.8708 5.9080 6.2560 6.2664 8.7927 8.8118 9.0872 9.1084 9.8413 9.8416 10.0276 10.0451 10.5344 10.5505 k = 0.5000 0.2887 0.0129 ( 4956 PWs) bands (ev): -4.0217 -4.0216 -3.6533 -3.6533 -3.5411 -3.5411 0.0369 0.0403 0.0619 0.0646 0.1185 0.1290 0.1887 0.1962 0.2115 0.2167 0.2975 0.3025 0.3426 0.3502 0.3659 0.3663 0.4437 0.4463 0.5198 0.5210 0.5351 0.5353 0.5727 0.5776 0.6011 0.6027 0.6755 0.6824 0.7940 0.7948 1.5320 1.5355 1.8525 1.8547 2.8002 2.8045 4.2633 4.2935 4.7047 4.7487 5.3448 5.3457 5.6585 5.6661 5.8808 5.8998 6.2664 6.2712 8.7638 8.7733 9.1093 9.1205 9.8109 9.8115 10.0211 10.0298 10.5528 10.5606 k = 0.5000 0.2887-0.0000 ( 4954 PWs) bands (ev): -4.0219 -4.0219 -3.6533 -3.6533 -3.5408 -3.5408 0.0387 0.0387 0.0631 0.0631 0.1237 0.1237 0.1928 0.1928 0.2137 0.2137 0.3002 0.3002 0.3466 0.3466 0.3659 0.3659 0.4449 0.4449 0.5204 0.5204 0.5351 0.5351 0.5757 0.5757 0.6015 0.6015 0.6789 0.6789 0.7944 0.7944 1.5316 1.5316 1.8580 1.8580 2.7950 2.7950 4.2995 4.2995 4.7074 4.7074 5.3451 5.3451 5.6678 5.6678 5.8905 5.8905 6.2715 6.2715 8.7571 8.7571 9.1211 9.1211 9.8005 9.8005 10.0218 10.0218 10.5617 10.5617 k = 0.3333 0.5774-0.0000 ( 4956 PWs) bands (ev): -3.7146 -3.7146 -3.7144 -3.7134 -3.4703 -3.4703 0.0106 0.0275 0.0275 0.0452 0.0916 0.1613 0.1711 0.1711 0.2769 0.2769 0.2924 0.3182 0.3182 0.3376 0.3376 0.3879 0.4402 0.4402 0.5048 0.5048 0.5510 0.5510 0.5512 0.5560 0.6808 0.6808 0.7365 0.7484 0.8139 0.8139 1.9642 2.0879 2.0879 2.1159 2.6411 2.6411 2.8617 2.8617 4.1653 4.2849 4.2849 4.4534 5.3923 5.3923 5.9219 5.9219 6.1033 6.1076 8.3319 8.3319 9.9389 10.0380 10.1117 10.1117 12.7159 12.8236 12.8236 13.0041 k = 0.3333 0.5774 0.0129 ( 4977 PWs) bands (ev): -3.7212 -3.7206 -3.7076 -3.7069 -3.4708 -3.4706 0.0085 0.0192 0.0357 0.0472 0.0918 0.1615 0.1687 0.1733 0.2713 0.2822 0.2923 0.3162 0.3196 0.3328 0.3427 0.3883 0.4373 0.4433 0.5013 0.5083 0.5503 0.5511 0.5514 0.5559 0.6795 0.6819 0.7357 0.7489 0.8096 0.8169 1.9521 2.0381 2.1296 2.1399 2.6124 2.6745 2.8330 2.8951 4.1530 4.2150 4.3568 4.4687 5.3757 5.3925 5.8146 5.9956 6.0237 6.2092 8.3348 8.3512 9.8906 10.0265 10.0942 10.2045 12.7067 12.7892 12.8509 13.0014 k = 0.3333 0.5774 0.0258 ( 4974 PWs) bands (ev): -3.7275 -3.7269 -3.7003 -3.6994 -3.4720 -3.4716 0.0035 0.0111 0.0440 0.0524 0.0922 0.1621 0.1662 0.1752 0.2655 0.2874 0.2923 0.3136 0.3206 0.3285 0.3480 0.3894 0.4347 0.4465 0.4978 0.5117 0.5494 0.5510 0.5518 0.5559 0.6781 0.6828 0.7339 0.7500 0.8042 0.8188 1.9243 1.9909 2.1623 2.1940 2.5882 2.7124 2.8091 2.9333 4.1224 4.1476 4.4302 4.5085 5.3433 5.3766 5.7028 5.8812 6.1186 6.3053 8.3600 8.3922 9.8213 9.9506 10.1868 10.3034 12.6793 12.7454 12.8733 12.9893 k = 0.3333 0.5774 0.0388 ( 4971 PWs) bands (ev): -3.7333 -3.7328 -3.6926 -3.6917 -3.4740 -3.4734 -0.0030 0.0031 0.0523 0.0591 0.0931 0.1633 0.1634 0.1769 0.2596 0.2922 0.2923 0.3102 0.3213 0.3248 0.3536 0.3913 0.4324 0.4499 0.4942 0.5151 0.5485 0.5509 0.5519 0.5558 0.6765 0.6835 0.7312 0.7514 0.7979 0.8194 1.8910 1.9463 2.2036 2.2498 2.5685 2.7541 2.7906 2.9764 4.0832 4.0836 4.5043 4.5625 5.2964 5.3459 5.5877 5.7634 6.2054 6.3922 8.4063 8.4533 9.7598 9.8854 10.2873 10.4067 12.6341 12.6897 12.8924 12.9516 k = 0.3333 0.5774 0.0517 ( 4971 PWs) bands (ev): -3.7388 -3.7384 -3.6846 -3.6836 -3.4767 -3.4759 -0.0100 -0.0047 0.0606 0.0662 0.0943 0.1605 0.1649 0.1783 0.2536 0.2922 0.2968 0.3060 0.3217 0.3217 0.3593 0.3938 0.4304 0.4534 0.4908 0.5184 0.5475 0.5507 0.5519 0.5557 0.6750 0.6838 0.7281 0.7529 0.7907 0.8189 1.8568 1.9045 2.2485 2.3069 2.5530 2.7706 2.8062 3.0244 4.0222 4.0433 4.5781 4.6242 5.2369 5.3025 5.4703 5.6436 6.2826 6.4681 8.4723 8.5329 9.7106 9.8326 10.3908 10.5129 12.5722 12.6204 12.8692 12.9082 k = 0.3333 0.5774 0.0646 ( 4971 PWs) bands (ev): -3.7438 -3.7435 -3.6763 -3.6752 -3.4801 -3.4792 -0.0171 -0.0123 0.0687 0.0734 0.0962 0.1575 0.1670 0.1794 0.2474 0.2922 0.3010 0.3011 0.3191 0.3219 0.3652 0.3970 0.4286 0.4569 0.4873 0.5216 0.5463 0.5505 0.5518 0.5555 0.6733 0.6837 0.7244 0.7544 0.7830 0.8174 1.8236 1.8655 2.2947 2.3648 2.5415 2.7604 2.8572 3.0772 3.9652 4.0050 4.6501 4.6895 5.1668 5.2498 5.3515 5.5232 6.3491 6.5316 8.5558 8.6288 9.6761 9.7935 10.4942 10.6201 12.4958 12.5370 12.7537 12.8988 k = 0.3333 0.5774 0.0775 ( 4974 PWs) bands (ev): -3.7485 -3.7482 -3.6678 -3.6666 -3.4842 -3.4831 -0.0241 -0.0196 0.0766 0.0801 0.0988 0.1543 0.1695 0.1803 0.2412 0.2922 0.2958 0.3047 0.3167 0.3220 0.3712 0.4008 0.4272 0.4603 0.4839 0.5246 0.5453 0.5501 0.5514 0.5554 0.6717 0.6832 0.7205 0.7559 0.7750 0.8150 1.7922 1.8294 2.3406 2.4230 2.5338 2.7529 2.9138 3.1350 3.9128 3.9709 4.7171 4.7556 5.0884 5.1924 5.2322 5.4039 6.4039 6.5815 8.6549 8.7389 9.6577 9.7690 10.5948 10.7263 12.4080 12.4407 12.6241 12.7667 k = 0.3333 0.5774 0.0905 ( 4977 PWs) bands (ev): -3.7527 -3.7525 -3.6590 -3.6577 -3.4889 -3.4877 -0.0307 -0.0265 0.0844 0.0858 0.1026 0.1510 0.1725 0.1809 0.2348 0.2902 0.2923 0.3080 0.3145 0.3220 0.3772 0.4052 0.4261 0.4636 0.4806 0.5273 0.5443 0.5496 0.5510 0.5553 0.6702 0.6821 0.7163 0.7573 0.7671 0.8119 1.7632 1.7963 2.3852 2.4805 2.5296 2.7487 2.9748 3.1975 3.8656 3.9428 4.7720 4.8184 5.0036 5.1131 5.1389 5.2892 6.4465 6.6171 8.7672 8.8611 9.6563 9.7599 10.6887 10.8289 12.3132 12.3342 12.4895 12.6162 k = 0.3333 0.5774 0.1034 ( 4971 PWs) bands (ev): -3.7566 -3.7563 -3.6499 -3.6485 -3.4943 -3.4930 -0.0370 -0.0330 0.0903 0.0920 0.1078 0.1477 0.1759 0.1812 0.2284 0.2843 0.2924 0.3107 0.3124 0.3220 0.3832 0.4100 0.4253 0.4665 0.4774 0.5296 0.5436 0.5489 0.5504 0.5552 0.6687 0.6804 0.7118 0.7587 0.7596 0.8083 1.7368 1.7662 2.4273 2.5284 2.5364 2.7477 3.0400 3.2648 3.8244 3.9220 4.8001 4.8684 4.9143 4.9951 5.1055 5.1878 6.4768 6.6382 8.8908 8.9937 9.6719 9.7663 10.7711 10.9240 12.2161 12.2224 12.3547 12.4637 k = 0.3333 0.5774 0.1163 ( 4974 PWs) bands (ev): -3.7600 -3.7598 -3.6407 -3.6392 -3.5003 -3.4988 -0.0427 -0.0391 0.0938 0.0992 0.1140 0.1442 0.1798 0.1812 0.2220 0.2781 0.2926 0.3104 0.3126 0.3224 0.3891 0.4151 0.4248 0.4691 0.4742 0.5313 0.5435 0.5482 0.5496 0.5551 0.6674 0.6780 0.7071 0.7528 0.7601 0.8044 1.7132 1.7391 2.4658 2.5300 2.5896 2.7496 3.1088 3.3366 3.7900 3.9095 4.7840 4.8220 4.8782 4.8795 5.1105 5.1269 6.4953 6.6455 9.0238 9.1350 9.7036 9.7874 10.8355 11.0058 12.1124 12.1207 12.2265 12.3118 k = 0.3333 0.5774 0.1292 ( 4974 PWs) bands (ev): -3.7630 -3.7629 -3.6313 -3.6298 -3.5068 -3.5053 -0.0480 -0.0446 0.0968 0.1061 0.1208 0.1408 0.1809 0.1842 0.2155 0.2718 0.2929 0.3085 0.3138 0.3231 0.3950 0.4206 0.4245 0.4710 0.4712 0.5324 0.5441 0.5473 0.5488 0.5551 0.6664 0.6750 0.7023 0.7470 0.7615 0.8002 1.6924 1.7150 2.4999 2.5340 2.6386 2.7541 3.1810 3.4130 3.7632 3.9065 4.7276 4.7296 4.7678 4.8192 5.1342 5.1486 6.5032 6.6403 9.1646 9.2836 9.7497 9.8220 10.8735 11.0651 12.0147 12.0220 12.1215 12.1623 k = 0.3333 0.5774 0.1422 ( 4983 PWs) bands (ev): -3.7656 -3.7655 -3.6218 -3.6202 -3.5138 -3.5122 -0.0526 -0.0496 0.0996 0.1125 0.1277 0.1373 0.1803 0.1890 0.2089 0.2653 0.2933 0.3067 0.3142 0.3241 0.4005 0.4244 0.4264 0.4684 0.4722 0.5329 0.5453 0.5462 0.5478 0.5551 0.6657 0.6714 0.6975 0.7421 0.7630 0.7960 1.6745 1.6939 2.5286 2.5399 2.6821 2.7608 3.2558 3.4938 3.7447 3.9136 4.6309 4.6556 4.6634 4.7212 5.1791 5.2011 6.5025 6.6248 9.3117 9.4382 9.8074 9.8677 10.8768 11.0885 11.9094 11.9442 12.0175 12.0618 k = 0.3333 0.5774 0.1551 ( 4995 PWs) bands (ev): -3.7679 -3.7678 -3.6122 -3.6105 -3.5214 -3.5197 -0.0565 -0.0539 0.1023 0.1184 0.1338 0.1347 0.1795 0.1942 0.2023 0.2586 0.2938 0.3050 0.3141 0.3252 0.4057 0.4244 0.4322 0.4657 0.4725 0.5332 0.5450 0.5468 0.5468 0.5550 0.6654 0.6675 0.6927 0.7383 0.7645 0.7919 1.6596 1.6758 2.5473 2.5516 2.7186 2.7694 3.3324 3.5788 3.7344 3.9314 4.5324 4.5692 4.5736 4.6116 5.2332 5.2563 6.4956 6.6015 9.4635 9.5976 9.8731 9.9215 10.8406 11.0634 11.7925 11.8798 11.9144 12.0464 k = 0.3333 0.5774 0.1680 ( 4995 PWs) bands (ev): -3.7697 -3.7696 -3.6026 -3.6008 -3.5293 -3.5276 -0.0597 -0.0576 0.1051 0.1237 0.1303 0.1417 0.1785 0.1957 0.1998 0.2519 0.2944 0.3034 0.3139 0.3262 0.4105 0.4245 0.4381 0.4634 0.4718 0.5337 0.5437 0.5458 0.5484 0.5549 0.6637 0.6656 0.6880 0.7355 0.7662 0.7879 1.6477 1.6607 2.5555 2.5687 2.7470 2.7794 3.4095 3.6678 3.7315 3.9600 4.4366 4.4852 4.4890 4.4991 5.2861 5.3079 6.4855 6.5734 9.6189 9.7607 9.9421 9.9792 10.7671 10.9884 11.6826 11.7528 11.9275 12.0663 k = 0.3333 0.5774 0.1809 ( 5001 PWs) bands (ev): -3.7711 -3.7710 -3.5929 -3.5911 -3.5376 -3.5359 -0.0622 -0.0606 0.1079 0.1269 0.1281 0.1486 0.1774 0.1891 0.2057 0.2451 0.2952 0.3019 0.3135 0.3271 0.4146 0.4246 0.4439 0.4615 0.4701 0.5344 0.5423 0.5448 0.5500 0.5547 0.6603 0.6664 0.6835 0.7335 0.7680 0.7842 1.6388 1.6486 2.5641 2.5799 2.7672 2.7896 3.4848 3.7331 3.7607 3.9992 4.3495 4.3868 4.4047 4.4120 5.3332 5.3518 6.4755 6.5436 9.7762 9.9263 10.0085 10.0355 10.6636 10.8753 11.5874 11.6411 11.9730 12.1122 k = 0.3333 0.5774 0.1938 ( 4998 PWs) bands (ev): -3.7721 -3.7720 -3.5834 -3.5815 -3.5463 -3.5445 -0.0639 -0.0628 0.1109 0.1236 0.1315 0.1555 0.1765 0.1824 0.2119 0.2384 0.2960 0.3005 0.3133 0.3277 0.4180 0.4244 0.4495 0.4600 0.4674 0.5353 0.5408 0.5441 0.5513 0.5544 0.6577 0.6677 0.6794 0.7322 0.7700 0.7808 1.6330 1.6395 2.5724 2.5858 2.7807 2.7980 3.5544 3.7344 3.8573 4.0482 4.2759 4.2777 4.3228 4.3530 5.3709 5.3847 6.4688 6.5156 9.9334 10.0652 10.0844 10.0932 10.5387 10.7377 11.5139 11.5506 12.0378 12.1754 k = 0.3333 0.5774 0.2068 ( 4992 PWs) bands (ev): -3.7727 -3.7726 -3.5739 -3.5720 -3.5551 -3.5534 -0.0648 -0.0642 0.1139 0.1203 0.1337 0.1623 0.1757 0.1758 0.2183 0.2316 0.2970 0.2992 0.3131 0.3282 0.4205 0.4240 0.4549 0.4590 0.4640 0.5365 0.5394 0.5436 0.5524 0.5540 0.6560 0.6698 0.6756 0.7315 0.7723 0.7777 1.6301 1.6334 2.5795 2.5871 2.7891 2.8027 3.6107 3.7300 3.9573 4.1059 4.1673 4.2291 4.2449 4.3136 5.3966 5.4040 6.4685 6.4923 10.0801 10.1042 10.1270 10.2598 10.3995 10.5857 11.4696 11.4883 12.1122 12.2491 k = 0.3333 0.5774 0.2197 ( 4986 PWs) bands (ev): -3.7729 -3.7729 -3.5659 -3.5629 -3.5626 -3.5626 -0.0649 -0.0649 0.1171 0.1171 0.1344 0.1690 0.1690 0.1755 0.2249 0.2249 0.2980 0.2980 0.3131 0.3283 0.4217 0.4235 0.4587 0.4597 0.4597 0.5379 0.5379 0.5435 0.5533 0.5533 0.6555 0.6724 0.6724 0.7313 0.7749 0.7749 1.6302 1.6302 2.5847 2.5847 2.7921 2.8041 3.6356 3.7245 4.0605 4.0605 4.1724 4.1724 4.2117 4.2996 5.4080 5.4080 6.4762 6.4762 10.1186 10.1186 10.2524 10.2524 10.4149 10.4350 11.4603 11.4603 12.1759 12.2139 Writing output data file ZnTe.save init_run : 0.53s CPU 0.78s WALL ( 1 calls) electrons : 463.29s CPU 467.32s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.05s WALL ( 1 calls) potinit : 0.03s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 463.29s CPU 467.31s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.04s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.02s WALL ( 1 calls) newd : 0.24s CPU 0.24s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.06s WALL ( 298 calls) cegterg : 436.29s CPU 439.87s WALL ( 550 calls) Called by sum_band: Called by *egterg: h_psi : 240.18s CPU 246.63s WALL ( 8943 calls) s_psi : 27.57s CPU 27.72s WALL ( 8943 calls) g_psi : 0.58s CPU 0.58s WALL ( 8095 calls) cdiaghg : 130.07s CPU 127.02s WALL ( 8393 calls) cegterg:over : 23.16s CPU 21.74s WALL ( 8095 calls) cegterg:upda : 10.35s CPU 12.98s WALL ( 8095 calls) cegterg:last : 8.95s CPU 9.55s WALL ( 1502 calls) Called by h_psi: h_psi:vloc : 207.63s CPU 210.66s WALL ( 8943 calls) h_psi:vnl : 32.41s CPU 35.55s WALL ( 8943 calls) add_vuspsi : 17.54s CPU 19.81s WALL ( 8943 calls) General routines calbec : 14.86s CPU 15.72s WALL ( 8943 calls) fft : 0.02s CPU 0.05s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 205.88s CPU 202.45s WALL ( 1219808 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.06s CPU 0.18s WALL ( 596 calls) Parallel routines fft_scatter : 194.72s CPU 136.60s WALL ( 1219831 calls) PWSCF : 8m14.01s CPU 8m26.36s WALL This run was terminated on: 14:20:10 27Jul2015 =------------------------------------------------------------------------------= JOB DONE. 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