Program PWSCF v.5.1.1 starts on 21Nov2015 at 6:32:54 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 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: ./BaNiO3.save/ file Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 6S renormalized file Ni.rel-pbe-n-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 52 30 9 1824 802 125 Max 53 31 10 1831 817 129 Sum 2527 1483 433 87743 38901 6081 bravais-lattice index = 14 lattice parameter (alat) = 10.6410 a.u. unit-cell volume = 890.9691 (a.u.)^3 number of atoms/cell = 10 number of atomic types = 3 number of electrons = 76.00 number of Kohn-Sham states= 92 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.641047 celldm(2)= 1.000000 celldm(3)= 0.853845 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 0.853845 ) 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 1.171173 ) PseudoPot. # 1 for Ba read from file: /home/autes/Pseudo/Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3006f3397849ee49953ff32be8e81b23 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1251 points, 11 beta functions with: l(1) = 0 l(2) = 0 l(3) = 0 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 1 l(8) = 2 l(9) = 2 l(10) = 2 l(11) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for O read from file: /home/autes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Ni read from file: /home/autes/Pseudo/Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 9d95a5a85785a32f0d1fefdc4874c578 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1195 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 Ba 10.00 137.32700 Ba( 1.00) O 6.00 15.99940 O( 1.00) Ni 10.00 58.69340 Ni( 1.00) 12 Sym. Ops. (no inversion) found ( 6 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 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.4269224 ) isym = 3 60 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 1 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 3) = ( 0.5000000 -0.8660254 0.0000000 ) f =( -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.4269224 ) isym = 4 60 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 4) = ( 0.5000000 0.8660254 -0.0000000 ) f =( -0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.4269224 ) isym = 5 120 deg rotation - cryst. axis [0,0,1] cryst. s( 5) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 6 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 6) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 6) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 7 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 7) = ( 1 0 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 7) = ( 1.0000000 -0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.4269224 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 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 ) ( -0.5000000 ) 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 ) ( -0.4269224 ) isym = 10 inv. 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 ) ( -0.5000000 ) 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 ) ( -0.4269224 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_6v (6mm) there are 9 classes and 3 irreducible representations the character table: E -E C2 2C3 -2C3 2C6 -2C6 3s_v 3s_d -C2 -3s_v -3s_d 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 2C6 3 4 2C3 5 6 3s_v-3s_v 7 -7 9 10 -10 -9 3s_d-3s_d 8 -8 12 -11 11 -12 -E -1 -2C6 -3 -4 -2C3 -5 -6 Cartesian axes number of k points= 288 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034722 k( 2) = ( 0.0151515 0.0087477 -0.0000000), wk = 0.0034722 k( 3) = ( 0.0303030 0.0174955 -0.0000000), wk = 0.0034722 k( 4) = ( 0.0454546 0.0262432 -0.0000000), wk = 0.0034722 k( 5) = ( 0.0606061 0.0349909 -0.0000000), wk = 0.0034722 k( 6) = ( 0.0757576 0.0437387 -0.0000000), wk = 0.0034722 k( 7) = ( 0.0909091 0.0524864 -0.0000000), wk = 0.0034722 k( 8) = ( 0.1060606 0.0612341 -0.0000000), wk = 0.0034722 k( 9) = ( 0.1212121 0.0699819 -0.0000000), wk = 0.0034722 k( 10) = ( 0.1363636 0.0787296 -0.0000000), wk = 0.0034722 k( 11) = ( 0.1515151 0.0874773 -0.0000000), wk = 0.0034722 k( 12) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0034722 k( 13) = ( 0.1818182 0.1049728 -0.0000000), wk = 0.0034722 k( 14) = ( 0.1969697 0.1137205 -0.0000000), wk = 0.0034722 k( 15) = ( 0.2121212 0.1224682 -0.0000000), wk = 0.0034722 k( 16) = ( 0.2272727 0.1312160 -0.0000000), wk = 0.0034722 k( 17) = ( 0.2424242 0.1399637 -0.0000000), wk = 0.0034722 k( 18) = ( 0.2575758 0.1487114 -0.0000000), wk = 0.0034722 k( 19) = ( 0.2727273 0.1574592 -0.0000000), wk = 0.0034722 k( 20) = ( 0.2878788 0.1662069 -0.0000000), wk = 0.0034722 k( 21) = ( 0.3030303 0.1749546 -0.0000000), wk = 0.0034722 k( 22) = ( 0.3181818 0.1837024 -0.0000000), wk = 0.0034722 k( 23) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0034722 k( 24) = ( 0.3484849 0.2011978 -0.0000000), wk = 0.0034722 k( 25) = ( 0.3636364 0.2099456 -0.0000000), wk = 0.0034722 k( 26) = ( 0.3787879 0.2186933 -0.0000000), wk = 0.0034722 k( 27) = ( 0.3939394 0.2274410 -0.0000000), wk = 0.0034722 k( 28) = ( 0.4090909 0.2361887 -0.0000000), wk = 0.0034722 k( 29) = ( 0.4242424 0.2449365 -0.0000000), wk = 0.0034722 k( 30) = ( 0.4393939 0.2536842 -0.0000000), wk = 0.0034722 k( 31) = ( 0.4545455 0.2624319 -0.0000000), wk = 0.0034722 k( 32) = ( 0.4696970 0.2711797 -0.0000000), wk = 0.0034722 k( 33) = ( 0.4848485 0.2799274 -0.0000000), wk = 0.0034722 k( 34) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0034722 k( 35) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0034722 k( 36) = ( 0.4912281 0.3038686 -0.0000000), wk = 0.0034722 k( 37) = ( 0.4824561 0.3190620 -0.0000000), wk = 0.0034722 k( 38) = ( 0.4736842 0.3342554 -0.0000000), wk = 0.0034722 k( 39) = ( 0.4649123 0.3494488 -0.0000000), wk = 0.0034722 k( 40) = ( 0.4561404 0.3646423 -0.0000000), wk = 0.0034722 k( 41) = ( 0.4473684 0.3798357 -0.0000000), wk = 0.0034722 k( 42) = ( 0.4385965 0.3950291 -0.0000000), wk = 0.0034722 k( 43) = ( 0.4298246 0.4102226 -0.0000000), wk = 0.0034722 k( 44) = ( 0.4210526 0.4254160 -0.0000000), wk = 0.0034722 k( 45) = ( 0.4122807 0.4406094 -0.0000000), wk = 0.0034722 k( 46) = ( 0.4035088 0.4558028 -0.0000000), wk = 0.0034722 k( 47) = ( 0.3947368 0.4709963 -0.0000000), wk = 0.0034722 k( 48) = ( 0.3859649 0.4861897 -0.0000000), wk = 0.0034722 k( 49) = ( 0.3771930 0.5013831 -0.0000000), wk = 0.0034722 k( 50) = ( 0.3684211 0.5165765 -0.0000000), wk = 0.0034722 k( 51) = ( 0.3596491 0.5317700 -0.0000000), wk = 0.0034722 k( 52) = ( 0.3508772 0.5469634 -0.0000000), wk = 0.0034722 k( 53) = ( 0.3421053 0.5621568 -0.0000000), wk = 0.0034722 k( 54) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0034722 k( 55) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0034722 k( 56) = ( 0.3245614 0.5621568 -0.0000000), wk = 0.0034722 k( 57) = ( 0.3157895 0.5469634 -0.0000000), wk = 0.0034722 k( 58) = ( 0.3070175 0.5317700 -0.0000000), wk = 0.0034722 k( 59) = ( 0.2982456 0.5165765 -0.0000000), wk = 0.0034722 k( 60) = ( 0.2894737 0.5013831 -0.0000000), wk = 0.0034722 k( 61) = ( 0.2807018 0.4861897 -0.0000000), wk = 0.0034722 k( 62) = ( 0.2719298 0.4709963 -0.0000000), wk = 0.0034722 k( 63) = ( 0.2631579 0.4558028 -0.0000000), wk = 0.0034722 k( 64) = ( 0.2543860 0.4406094 -0.0000000), wk = 0.0034722 k( 65) = ( 0.2456140 0.4254160 -0.0000000), wk = 0.0034722 k( 66) = ( 0.2368421 0.4102226 -0.0000000), wk = 0.0034722 k( 67) = ( 0.2280702 0.3950291 -0.0000000), wk = 0.0034722 k( 68) = ( 0.2192983 0.3798357 -0.0000000), wk = 0.0034722 k( 69) = ( 0.2105263 0.3646423 -0.0000000), wk = 0.0034722 k( 70) = ( 0.2017544 0.3494489 -0.0000000), wk = 0.0034722 k( 71) = ( 0.1929825 0.3342554 -0.0000000), wk = 0.0034722 k( 72) = ( 0.1842105 0.3190620 -0.0000000), wk = 0.0034722 k( 73) = ( 0.1754386 0.3038686 -0.0000000), wk = 0.0034722 k( 74) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0034722 k( 75) = ( 0.1578947 0.2734817 -0.0000000), wk = 0.0034722 k( 76) = ( 0.1491228 0.2582883 -0.0000000), wk = 0.0034722 k( 77) = ( 0.1403509 0.2430949 -0.0000000), wk = 0.0034722 k( 78) = ( 0.1315790 0.2279014 -0.0000000), wk = 0.0034722 k( 79) = ( 0.1228070 0.2127080 -0.0000000), wk = 0.0034722 k( 80) = ( 0.1140351 0.1975146 -0.0000000), wk = 0.0034722 k( 81) = ( 0.1052632 0.1823211 -0.0000000), wk = 0.0034722 k( 82) = ( 0.0964912 0.1671277 -0.0000000), wk = 0.0034722 k( 83) = ( 0.0877193 0.1519343 -0.0000000), wk = 0.0034722 k( 84) = ( 0.0789474 0.1367409 -0.0000000), wk = 0.0034722 k( 85) = ( 0.0701754 0.1215474 -0.0000000), wk = 0.0034722 k( 86) = ( 0.0614035 0.1063540 -0.0000000), wk = 0.0034722 k( 87) = ( 0.0526316 0.0911606 -0.0000000), wk = 0.0034722 k( 88) = ( 0.0438597 0.0759671 -0.0000000), wk = 0.0034722 k( 89) = ( 0.0350877 0.0607737 -0.0000000), wk = 0.0034722 k( 90) = ( 0.0263158 0.0455803 -0.0000000), wk = 0.0034722 k( 91) = ( 0.0175439 0.0303869 -0.0000000), wk = 0.0034722 k( 92) = ( 0.0087719 0.0151934 -0.0000000), wk = 0.0034722 k( 93) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034722 k( 94) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034722 k( 95) = ( 0.0000000 0.0000000 0.0177451), wk = 0.0034722 k( 96) = ( 0.0000000 0.0000000 0.0354901), wk = 0.0034722 k( 97) = ( 0.0000000 0.0000000 0.0532351), wk = 0.0034722 k( 98) = ( 0.0000000 0.0000000 0.0709802), wk = 0.0034722 k( 99) = ( 0.0000000 0.0000000 0.0887252), wk = 0.0034722 k( 100) = ( 0.0000000 0.0000000 0.1064703), wk = 0.0034722 k( 101) = ( 0.0000000 0.0000000 0.1242153), wk = 0.0034722 k( 102) = ( 0.0000000 0.0000000 0.1419604), wk = 0.0034722 k( 103) = ( 0.0000000 0.0000000 0.1597054), wk = 0.0034722 k( 104) = ( 0.0000000 0.0000000 0.1774505), wk = 0.0034722 k( 105) = ( 0.0000000 0.0000000 0.1951955), wk = 0.0034722 k( 106) = ( 0.0000000 0.0000000 0.2129406), wk = 0.0034722 k( 107) = ( 0.0000000 0.0000000 0.2306856), wk = 0.0034722 k( 108) = ( 0.0000000 0.0000000 0.2484306), wk = 0.0034722 k( 109) = ( 0.0000000 0.0000000 0.2661757), wk = 0.0034722 k( 110) = ( 0.0000000 0.0000000 0.2839207), wk = 0.0034722 k( 111) = ( 0.0000000 0.0000000 0.3016658), wk = 0.0034722 k( 112) = ( 0.0000000 0.0000000 0.3194108), wk = 0.0034722 k( 113) = ( 0.0000000 0.0000000 0.3371559), wk = 0.0034722 k( 114) = ( 0.0000000 0.0000000 0.3549009), wk = 0.0034722 k( 115) = ( 0.0000000 0.0000000 0.3726460), wk = 0.0034722 k( 116) = ( 0.0000000 0.0000000 0.3903910), wk = 0.0034722 k( 117) = ( 0.0000000 0.0000000 0.4081361), wk = 0.0034722 k( 118) = ( 0.0000000 0.0000000 0.4258811), wk = 0.0034722 k( 119) = ( 0.0000000 0.0000000 0.4436262), wk = 0.0034722 k( 120) = ( 0.0000000 0.0000000 0.4613712), wk = 0.0034722 k( 121) = ( 0.0000000 0.0000000 0.4791162), wk = 0.0034722 k( 122) = ( 0.0000000 0.0000000 0.4968613), wk = 0.0034722 k( 123) = ( 0.0000000 0.0000000 0.5146063), wk = 0.0034722 k( 124) = ( 0.0000000 0.0000000 0.5323514), wk = 0.0034722 k( 125) = ( 0.0000000 0.0000000 0.5500964), wk = 0.0034722 k( 126) = ( 0.0000000 0.0000000 0.5678415), wk = 0.0034722 k( 127) = ( 0.0000000 0.0000000 0.5855865), wk = 0.0034722 k( 128) = ( 0.0000000 0.0000000 0.5855865), wk = 0.0034722 k( 129) = ( 0.0151515 0.0087477 0.5855865), wk = 0.0034722 k( 130) = ( 0.0303030 0.0174955 0.5855865), wk = 0.0034722 k( 131) = ( 0.0454546 0.0262432 0.5855865), wk = 0.0034722 k( 132) = ( 0.0606061 0.0349909 0.5855865), wk = 0.0034722 k( 133) = ( 0.0757576 0.0437387 0.5855865), wk = 0.0034722 k( 134) = ( 0.0909091 0.0524864 0.5855865), wk = 0.0034722 k( 135) = ( 0.1060606 0.0612341 0.5855865), wk = 0.0034722 k( 136) = ( 0.1212121 0.0699819 0.5855865), wk = 0.0034722 k( 137) = ( 0.1363636 0.0787296 0.5855865), wk = 0.0034722 k( 138) = ( 0.1515151 0.0874773 0.5855865), wk = 0.0034722 k( 139) = ( 0.1666667 0.0962250 0.5855865), wk = 0.0034722 k( 140) = ( 0.1818182 0.1049728 0.5855865), wk = 0.0034722 k( 141) = ( 0.1969697 0.1137205 0.5855865), wk = 0.0034722 k( 142) = ( 0.2121212 0.1224682 0.5855865), wk = 0.0034722 k( 143) = ( 0.2272727 0.1312160 0.5855865), wk = 0.0034722 k( 144) = ( 0.2424242 0.1399637 0.5855865), wk = 0.0034722 k( 145) = ( 0.2575758 0.1487114 0.5855865), wk = 0.0034722 k( 146) = ( 0.2727273 0.1574592 0.5855865), wk = 0.0034722 k( 147) = ( 0.2878788 0.1662069 0.5855865), wk = 0.0034722 k( 148) = ( 0.3030303 0.1749546 0.5855865), wk = 0.0034722 k( 149) = ( 0.3181818 0.1837024 0.5855865), wk = 0.0034722 k( 150) = ( 0.3333333 0.1924501 0.5855865), wk = 0.0034722 k( 151) = ( 0.3484849 0.2011978 0.5855865), wk = 0.0034722 k( 152) = ( 0.3636364 0.2099456 0.5855865), wk = 0.0034722 k( 153) = ( 0.3787879 0.2186933 0.5855865), wk = 0.0034722 k( 154) = ( 0.3939394 0.2274410 0.5855865), wk = 0.0034722 k( 155) = ( 0.4090909 0.2361887 0.5855865), wk = 0.0034722 k( 156) = ( 0.4242424 0.2449365 0.5855865), wk = 0.0034722 k( 157) = ( 0.4393939 0.2536842 0.5855865), wk = 0.0034722 k( 158) = ( 0.4545455 0.2624319 0.5855865), wk = 0.0034722 k( 159) = ( 0.4696970 0.2711797 0.5855865), wk = 0.0034722 k( 160) = ( 0.4848485 0.2799274 0.5855865), wk = 0.0034722 k( 161) = ( 0.5000000 0.2886751 0.5855865), wk = 0.0034722 k( 162) = ( 0.5000000 0.2886751 0.5855865), wk = 0.0034722 k( 163) = ( 0.4912281 0.3038686 0.5855865), wk = 0.0034722 k( 164) = ( 0.4824561 0.3190620 0.5855865), wk = 0.0034722 k( 165) = ( 0.4736842 0.3342554 0.5855865), wk = 0.0034722 k( 166) = ( 0.4649123 0.3494488 0.5855865), wk = 0.0034722 k( 167) = ( 0.4561404 0.3646423 0.5855865), wk = 0.0034722 k( 168) = ( 0.4473684 0.3798357 0.5855865), wk = 0.0034722 k( 169) = ( 0.4385965 0.3950291 0.5855865), wk = 0.0034722 k( 170) = ( 0.4298246 0.4102226 0.5855865), wk = 0.0034722 k( 171) = ( 0.4210526 0.4254160 0.5855865), wk = 0.0034722 k( 172) = ( 0.4122807 0.4406094 0.5855865), wk = 0.0034722 k( 173) = ( 0.4035088 0.4558028 0.5855865), wk = 0.0034722 k( 174) = ( 0.3947368 0.4709963 0.5855865), wk = 0.0034722 k( 175) = ( 0.3859649 0.4861897 0.5855865), wk = 0.0034722 k( 176) = ( 0.3771930 0.5013831 0.5855865), wk = 0.0034722 k( 177) = ( 0.3684211 0.5165765 0.5855865), wk = 0.0034722 k( 178) = ( 0.3596491 0.5317700 0.5855865), wk = 0.0034722 k( 179) = ( 0.3508772 0.5469634 0.5855865), wk = 0.0034722 k( 180) = ( 0.3421053 0.5621568 0.5855865), wk = 0.0034722 k( 181) = ( 0.3333333 0.5773503 0.5855865), wk = 0.0034722 k( 182) = ( 0.3333333 0.5773503 0.5855865), wk = 0.0034722 k( 183) = ( 0.3245614 0.5621568 0.5855865), wk = 0.0034722 k( 184) = ( 0.3157895 0.5469634 0.5855865), wk = 0.0034722 k( 185) = ( 0.3070175 0.5317700 0.5855865), wk = 0.0034722 k( 186) = ( 0.2982456 0.5165765 0.5855865), wk = 0.0034722 k( 187) = ( 0.2894737 0.5013831 0.5855865), wk = 0.0034722 k( 188) = ( 0.2807018 0.4861897 0.5855865), wk = 0.0034722 k( 189) = ( 0.2719298 0.4709963 0.5855865), wk = 0.0034722 k( 190) = ( 0.2631579 0.4558028 0.5855865), wk = 0.0034722 k( 191) = ( 0.2543860 0.4406094 0.5855865), wk = 0.0034722 k( 192) = ( 0.2456140 0.4254160 0.5855865), wk = 0.0034722 k( 193) = ( 0.2368421 0.4102226 0.5855865), wk = 0.0034722 k( 194) = ( 0.2280702 0.3950291 0.5855865), wk = 0.0034722 k( 195) = ( 0.2192983 0.3798357 0.5855865), wk = 0.0034722 k( 196) = ( 0.2105263 0.3646423 0.5855865), wk = 0.0034722 k( 197) = ( 0.2017544 0.3494489 0.5855865), wk = 0.0034722 k( 198) = ( 0.1929825 0.3342554 0.5855865), wk = 0.0034722 k( 199) = ( 0.1842105 0.3190620 0.5855865), wk = 0.0034722 k( 200) = ( 0.1754386 0.3038686 0.5855865), wk = 0.0034722 k( 201) = ( 0.1666667 0.2886751 0.5855865), wk = 0.0034722 k( 202) = ( 0.1578947 0.2734817 0.5855865), wk = 0.0034722 k( 203) = ( 0.1491228 0.2582883 0.5855865), wk = 0.0034722 k( 204) = ( 0.1403509 0.2430949 0.5855865), wk = 0.0034722 k( 205) = ( 0.1315790 0.2279014 0.5855865), wk = 0.0034722 k( 206) = ( 0.1228070 0.2127080 0.5855865), wk = 0.0034722 k( 207) = ( 0.1140351 0.1975146 0.5855865), wk = 0.0034722 k( 208) = ( 0.1052632 0.1823211 0.5855865), wk = 0.0034722 k( 209) = ( 0.0964912 0.1671277 0.5855865), wk = 0.0034722 k( 210) = ( 0.0877193 0.1519343 0.5855865), wk = 0.0034722 k( 211) = ( 0.0789474 0.1367409 0.5855865), wk = 0.0034722 k( 212) = ( 0.0701754 0.1215474 0.5855865), wk = 0.0034722 k( 213) = ( 0.0614035 0.1063540 0.5855865), wk = 0.0034722 k( 214) = ( 0.0526316 0.0911606 0.5855865), wk = 0.0034722 k( 215) = ( 0.0438597 0.0759671 0.5855865), wk = 0.0034722 k( 216) = ( 0.0350877 0.0607737 0.5855865), wk = 0.0034722 k( 217) = ( 0.0263158 0.0455803 0.5855865), wk = 0.0034722 k( 218) = ( 0.0175439 0.0303869 0.5855865), wk = 0.0034722 k( 219) = ( 0.0087719 0.0151934 0.5855865), wk = 0.0034722 k( 220) = ( 0.0000000 0.0000000 0.5855865), wk = 0.0034722 k( 221) = ( 0.5000000 0.2886751 0.5855865), wk = 0.0034722 k( 222) = ( 0.5000000 0.2886751 0.5678415), wk = 0.0034722 k( 223) = ( 0.5000000 0.2886751 0.5500964), wk = 0.0034722 k( 224) = ( 0.5000000 0.2886751 0.5323514), wk = 0.0034722 k( 225) = ( 0.5000000 0.2886751 0.5146063), wk = 0.0034722 k( 226) = ( 0.5000000 0.2886751 0.4968613), wk = 0.0034722 k( 227) = ( 0.5000000 0.2886751 0.4791162), wk = 0.0034722 k( 228) = ( 0.5000000 0.2886751 0.4613712), wk = 0.0034722 k( 229) = ( 0.5000000 0.2886751 0.4436262), wk = 0.0034722 k( 230) = ( 0.5000000 0.2886751 0.4258811), wk = 0.0034722 k( 231) = ( 0.5000000 0.2886751 0.4081361), wk = 0.0034722 k( 232) = ( 0.5000000 0.2886751 0.3903910), wk = 0.0034722 k( 233) = ( 0.5000000 0.2886751 0.3726460), wk = 0.0034722 k( 234) = ( 0.5000000 0.2886751 0.3549009), wk = 0.0034722 k( 235) = ( 0.5000000 0.2886751 0.3371559), wk = 0.0034722 k( 236) = ( 0.5000000 0.2886751 0.3194108), wk = 0.0034722 k( 237) = ( 0.5000000 0.2886751 0.3016658), wk = 0.0034722 k( 238) = ( 0.5000000 0.2886751 0.2839207), wk = 0.0034722 k( 239) = ( 0.5000000 0.2886751 0.2661757), wk = 0.0034722 k( 240) = ( 0.5000000 0.2886751 0.2484306), wk = 0.0034722 k( 241) = ( 0.5000000 0.2886751 0.2306856), wk = 0.0034722 k( 242) = ( 0.5000000 0.2886751 0.2129406), wk = 0.0034722 k( 243) = ( 0.5000000 0.2886751 0.1951955), wk = 0.0034722 k( 244) = ( 0.5000000 0.2886751 0.1774505), wk = 0.0034722 k( 245) = ( 0.5000000 0.2886751 0.1597054), wk = 0.0034722 k( 246) = ( 0.5000000 0.2886751 0.1419604), wk = 0.0034722 k( 247) = ( 0.5000000 0.2886751 0.1242153), wk = 0.0034722 k( 248) = ( 0.5000000 0.2886751 0.1064703), wk = 0.0034722 k( 249) = ( 0.5000000 0.2886751 0.0887252), wk = 0.0034722 k( 250) = ( 0.5000000 0.2886751 0.0709802), wk = 0.0034722 k( 251) = ( 0.5000000 0.2886751 0.0532351), wk = 0.0034722 k( 252) = ( 0.5000000 0.2886751 0.0354901), wk = 0.0034722 k( 253) = ( 0.5000000 0.2886751 0.0177451), wk = 0.0034722 k( 254) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0034722 k( 255) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0034722 k( 256) = ( 0.3333333 0.5773503 0.0177451), wk = 0.0034722 k( 257) = ( 0.3333333 0.5773503 0.0354901), wk = 0.0034722 k( 258) = ( 0.3333333 0.5773503 0.0532351), wk = 0.0034722 k( 259) = ( 0.3333333 0.5773503 0.0709802), wk = 0.0034722 k( 260) = ( 0.3333333 0.5773503 0.0887252), wk = 0.0034722 k( 261) = ( 0.3333333 0.5773503 0.1064703), wk = 0.0034722 k( 262) = ( 0.3333333 0.5773503 0.1242153), wk = 0.0034722 k( 263) = ( 0.3333333 0.5773503 0.1419604), wk = 0.0034722 k( 264) = ( 0.3333333 0.5773503 0.1597054), wk = 0.0034722 k( 265) = ( 0.3333333 0.5773503 0.1774505), wk = 0.0034722 k( 266) = ( 0.3333333 0.5773503 0.1951955), wk = 0.0034722 k( 267) = ( 0.3333333 0.5773503 0.2129406), wk = 0.0034722 k( 268) = ( 0.3333333 0.5773503 0.2306856), wk = 0.0034722 k( 269) = ( 0.3333333 0.5773503 0.2484306), wk = 0.0034722 k( 270) = ( 0.3333333 0.5773503 0.2661757), wk = 0.0034722 k( 271) = ( 0.3333333 0.5773503 0.2839207), wk = 0.0034722 k( 272) = ( 0.3333333 0.5773503 0.3016658), wk = 0.0034722 k( 273) = ( 0.3333333 0.5773503 0.3194108), wk = 0.0034722 k( 274) = ( 0.3333333 0.5773503 0.3371559), wk = 0.0034722 k( 275) = ( 0.3333333 0.5773503 0.3549009), wk = 0.0034722 k( 276) = ( 0.3333333 0.5773503 0.3726460), wk = 0.0034722 k( 277) = ( 0.3333333 0.5773503 0.3903910), wk = 0.0034722 k( 278) = ( 0.3333333 0.5773503 0.4081361), wk = 0.0034722 k( 279) = ( 0.3333333 0.5773503 0.4258811), wk = 0.0034722 k( 280) = ( 0.3333333 0.5773503 0.4436262), wk = 0.0034722 k( 281) = ( 0.3333333 0.5773503 0.4613712), wk = 0.0034722 k( 282) = ( 0.3333333 0.5773503 0.4791162), wk = 0.0034722 k( 283) = ( 0.3333333 0.5773503 0.4968613), wk = 0.0034722 k( 284) = ( 0.3333333 0.5773503 0.5146063), wk = 0.0034722 k( 285) = ( 0.3333333 0.5773503 0.5323514), wk = 0.0034722 k( 286) = ( 0.3333333 0.5773503 0.5500964), wk = 0.0034722 k( 287) = ( 0.3333333 0.5773503 0.5678415), wk = 0.0034722 k( 288) = ( 0.3333333 0.5773503 0.5855865), wk = 0.0034722 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034722 k( 2) = ( 0.0151515 0.0000000 0.0000000), wk = 0.0034722 k( 3) = ( 0.0303030 0.0000000 0.0000000), wk = 0.0034722 k( 4) = ( 0.0454546 -0.0000000 0.0000000), wk = 0.0034722 k( 5) = ( 0.0606061 0.0000000 0.0000000), wk = 0.0034722 k( 6) = ( 0.0757576 0.0000000 0.0000000), wk = 0.0034722 k( 7) = ( 0.0909091 -0.0000000 0.0000000), wk = 0.0034722 k( 8) = ( 0.1060606 0.0000000 0.0000000), wk = 0.0034722 k( 9) = ( 0.1212121 0.0000000 0.0000000), wk = 0.0034722 k( 10) = ( 0.1363636 0.0000000 0.0000000), wk = 0.0034722 k( 11) = ( 0.1515151 0.0000000 0.0000000), wk = 0.0034722 k( 12) = ( 0.1666667 0.0000000 0.0000000), wk = 0.0034722 k( 13) = ( 0.1818182 -0.0000000 0.0000000), wk = 0.0034722 k( 14) = ( 0.1969697 -0.0000000 0.0000000), wk = 0.0034722 k( 15) = ( 0.2121212 0.0000000 0.0000000), wk = 0.0034722 k( 16) = ( 0.2272727 0.0000000 0.0000000), wk = 0.0034722 k( 17) = ( 0.2424242 0.0000000 0.0000000), wk = 0.0034722 k( 18) = ( 0.2575758 0.0000000 0.0000000), wk = 0.0034722 k( 19) = ( 0.2727273 0.0000000 0.0000000), wk = 0.0034722 k( 20) = ( 0.2878788 0.0000000 0.0000000), wk = 0.0034722 k( 21) = ( 0.3030303 0.0000000 0.0000000), wk = 0.0034722 k( 22) = ( 0.3181818 0.0000000 0.0000000), wk = 0.0034722 k( 23) = ( 0.3333333 -0.0000000 -0.0000000), wk = 0.0034722 k( 24) = ( 0.3484849 -0.0000000 0.0000000), wk = 0.0034722 k( 25) = ( 0.3636364 -0.0000000 0.0000000), wk = 0.0034722 k( 26) = ( 0.3787879 -0.0000000 0.0000000), wk = 0.0034722 k( 27) = ( 0.3939394 -0.0000000 0.0000000), wk = 0.0034722 k( 28) = ( 0.4090909 -0.0000000 0.0000000), wk = 0.0034722 k( 29) = ( 0.4242424 0.0000000 0.0000000), wk = 0.0034722 k( 30) = ( 0.4393939 0.0000000 0.0000000), wk = 0.0034722 k( 31) = ( 0.4545455 0.0000000 0.0000000), wk = 0.0034722 k( 32) = ( 0.4696970 0.0000000 0.0000000), wk = 0.0034722 k( 33) = ( 0.4848485 0.0000000 0.0000000), wk = 0.0034722 k( 34) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0034722 k( 35) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0034722 k( 36) = ( 0.4912281 0.0175439 -0.0000000), wk = 0.0034722 k( 37) = ( 0.4824561 0.0350877 0.0000000), wk = 0.0034722 k( 38) = ( 0.4736842 0.0526316 0.0000000), wk = 0.0034722 k( 39) = ( 0.4649123 0.0701754 0.0000000), wk = 0.0034722 k( 40) = ( 0.4561404 0.0877193 0.0000000), wk = 0.0034722 k( 41) = ( 0.4473684 0.1052632 0.0000000), wk = 0.0034722 k( 42) = ( 0.4385965 0.1228070 0.0000000), wk = 0.0034722 k( 43) = ( 0.4298246 0.1403509 -0.0000000), wk = 0.0034722 k( 44) = ( 0.4210526 0.1578947 0.0000000), wk = 0.0034722 k( 45) = ( 0.4122807 0.1754386 0.0000000), wk = 0.0034722 k( 46) = ( 0.4035088 0.1929825 0.0000000), wk = 0.0034722 k( 47) = ( 0.3947368 0.2105263 0.0000000), wk = 0.0034722 k( 48) = ( 0.3859649 0.2280702 0.0000000), wk = 0.0034722 k( 49) = ( 0.3771930 0.2456140 0.0000000), wk = 0.0034722 k( 50) = ( 0.3684211 0.2631579 -0.0000000), wk = 0.0034722 k( 51) = ( 0.3596491 0.2807017 0.0000000), wk = 0.0034722 k( 52) = ( 0.3508772 0.2982456 0.0000000), wk = 0.0034722 k( 53) = ( 0.3421053 0.3157895 0.0000000), wk = 0.0034722 k( 54) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0034722 k( 55) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0034722 k( 56) = ( 0.3245614 0.3245614 0.0000000), wk = 0.0034722 k( 57) = ( 0.3157895 0.3157895 0.0000000), wk = 0.0034722 k( 58) = ( 0.3070175 0.3070175 0.0000000), wk = 0.0034722 k( 59) = ( 0.2982456 0.2982456 0.0000000), wk = 0.0034722 k( 60) = ( 0.2894737 0.2894737 -0.0000000), wk = 0.0034722 k( 61) = ( 0.2807018 0.2807018 0.0000000), wk = 0.0034722 k( 62) = ( 0.2719298 0.2719298 0.0000000), wk = 0.0034722 k( 63) = ( 0.2631579 0.2631579 -0.0000000), wk = 0.0034722 k( 64) = ( 0.2543860 0.2543860 0.0000000), wk = 0.0034722 k( 65) = ( 0.2456140 0.2456140 -0.0000000), wk = 0.0034722 k( 66) = ( 0.2368421 0.2368421 0.0000000), wk = 0.0034722 k( 67) = ( 0.2280702 0.2280702 -0.0000000), wk = 0.0034722 k( 68) = ( 0.2192983 0.2192983 0.0000000), wk = 0.0034722 k( 69) = ( 0.2105263 0.2105263 0.0000000), wk = 0.0034722 k( 70) = ( 0.2017544 0.2017544 0.0000000), wk = 0.0034722 k( 71) = ( 0.1929825 0.1929825 0.0000000), wk = 0.0034722 k( 72) = ( 0.1842105 0.1842105 0.0000000), wk = 0.0034722 k( 73) = ( 0.1754386 0.1754386 0.0000000), wk = 0.0034722 k( 74) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0034722 k( 75) = ( 0.1578947 0.1578947 -0.0000000), wk = 0.0034722 k( 76) = ( 0.1491228 0.1491228 0.0000000), wk = 0.0034722 k( 77) = ( 0.1403509 0.1403509 -0.0000000), wk = 0.0034722 k( 78) = ( 0.1315790 0.1315790 0.0000000), wk = 0.0034722 k( 79) = ( 0.1228070 0.1228070 -0.0000000), wk = 0.0034722 k( 80) = ( 0.1140351 0.1140351 -0.0000000), wk = 0.0034722 k( 81) = ( 0.1052632 0.1052632 0.0000000), wk = 0.0034722 k( 82) = ( 0.0964912 0.0964912 0.0000000), wk = 0.0034722 k( 83) = ( 0.0877193 0.0877193 0.0000000), wk = 0.0034722 k( 84) = ( 0.0789474 0.0789474 -0.0000000), wk = 0.0034722 k( 85) = ( 0.0701754 0.0701754 -0.0000000), wk = 0.0034722 k( 86) = ( 0.0614035 0.0614035 -0.0000000), wk = 0.0034722 k( 87) = ( 0.0526316 0.0526316 0.0000000), wk = 0.0034722 k( 88) = ( 0.0438597 0.0438597 0.0000000), wk = 0.0034722 k( 89) = ( 0.0350877 0.0350877 -0.0000000), wk = 0.0034722 k( 90) = ( 0.0263158 0.0263158 0.0000000), wk = 0.0034722 k( 91) = ( 0.0175439 0.0175439 -0.0000000), wk = 0.0034722 k( 92) = ( 0.0087719 0.0087719 -0.0000000), wk = 0.0034722 k( 93) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034722 k( 94) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034722 k( 95) = ( 0.0000000 0.0000000 0.0151515), wk = 0.0034722 k( 96) = ( 0.0000000 0.0000000 0.0303030), wk = 0.0034722 k( 97) = ( 0.0000000 0.0000000 0.0454545), wk = 0.0034722 k( 98) = ( 0.0000000 0.0000000 0.0606061), wk = 0.0034722 k( 99) = ( 0.0000000 0.0000000 0.0757576), wk = 0.0034722 k( 100) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0034722 k( 101) = ( 0.0000000 0.0000000 0.1060606), wk = 0.0034722 k( 102) = ( 0.0000000 0.0000000 0.1212121), wk = 0.0034722 k( 103) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0034722 k( 104) = ( 0.0000000 0.0000000 0.1515151), wk = 0.0034722 k( 105) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0034722 k( 106) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0034722 k( 107) = ( 0.0000000 0.0000000 0.1969697), wk = 0.0034722 k( 108) = ( 0.0000000 0.0000000 0.2121212), wk = 0.0034722 k( 109) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0034722 k( 110) = ( 0.0000000 0.0000000 0.2424242), wk = 0.0034722 k( 111) = ( 0.0000000 0.0000000 0.2575758), wk = 0.0034722 k( 112) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0034722 k( 113) = ( 0.0000000 0.0000000 0.2878788), wk = 0.0034722 k( 114) = ( 0.0000000 0.0000000 0.3030303), wk = 0.0034722 k( 115) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0034722 k( 116) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0034722 k( 117) = ( 0.0000000 0.0000000 0.3484849), wk = 0.0034722 k( 118) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0034722 k( 119) = ( 0.0000000 0.0000000 0.3787879), wk = 0.0034722 k( 120) = ( 0.0000000 0.0000000 0.3939394), wk = 0.0034722 k( 121) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0034722 k( 122) = ( 0.0000000 0.0000000 0.4242424), wk = 0.0034722 k( 123) = ( 0.0000000 0.0000000 0.4393939), wk = 0.0034722 k( 124) = ( 0.0000000 0.0000000 0.4545454), wk = 0.0034722 k( 125) = ( 0.0000000 0.0000000 0.4696970), wk = 0.0034722 k( 126) = ( 0.0000000 0.0000000 0.4848485), wk = 0.0034722 k( 127) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034722 k( 128) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034722 k( 129) = ( 0.0151515 0.0000000 0.5000000), wk = 0.0034722 k( 130) = ( 0.0303030 0.0000000 0.5000000), wk = 0.0034722 k( 131) = ( 0.0454546 -0.0000000 0.5000000), wk = 0.0034722 k( 132) = ( 0.0606061 0.0000000 0.5000000), wk = 0.0034722 k( 133) = ( 0.0757576 0.0000000 0.5000000), wk = 0.0034722 k( 134) = ( 0.0909091 -0.0000000 0.5000000), wk = 0.0034722 k( 135) = ( 0.1060606 0.0000000 0.5000000), wk = 0.0034722 k( 136) = ( 0.1212121 0.0000000 0.5000000), wk = 0.0034722 k( 137) = ( 0.1363636 0.0000000 0.5000000), wk = 0.0034722 k( 138) = ( 0.1515151 0.0000000 0.5000000), wk = 0.0034722 k( 139) = ( 0.1666667 0.0000000 0.5000000), wk = 0.0034722 k( 140) = ( 0.1818182 -0.0000000 0.5000000), wk = 0.0034722 k( 141) = ( 0.1969697 -0.0000000 0.5000000), wk = 0.0034722 k( 142) = ( 0.2121212 0.0000000 0.5000000), wk = 0.0034722 k( 143) = ( 0.2272727 0.0000000 0.5000000), wk = 0.0034722 k( 144) = ( 0.2424242 0.0000000 0.5000000), wk = 0.0034722 k( 145) = ( 0.2575758 0.0000000 0.5000000), wk = 0.0034722 k( 146) = ( 0.2727273 0.0000000 0.5000000), wk = 0.0034722 k( 147) = ( 0.2878788 0.0000000 0.5000000), wk = 0.0034722 k( 148) = ( 0.3030303 0.0000000 0.5000000), wk = 0.0034722 k( 149) = ( 0.3181818 0.0000000 0.5000000), wk = 0.0034722 k( 150) = ( 0.3333333 -0.0000000 0.5000000), wk = 0.0034722 k( 151) = ( 0.3484849 -0.0000000 0.5000000), wk = 0.0034722 k( 152) = ( 0.3636364 -0.0000000 0.5000000), wk = 0.0034722 k( 153) = ( 0.3787879 -0.0000000 0.5000000), wk = 0.0034722 k( 154) = ( 0.3939394 -0.0000000 0.5000000), wk = 0.0034722 k( 155) = ( 0.4090909 -0.0000000 0.5000000), wk = 0.0034722 k( 156) = ( 0.4242424 0.0000000 0.5000000), wk = 0.0034722 k( 157) = ( 0.4393939 0.0000000 0.5000000), wk = 0.0034722 k( 158) = ( 0.4545455 0.0000000 0.5000000), wk = 0.0034722 k( 159) = ( 0.4696970 0.0000000 0.5000000), wk = 0.0034722 k( 160) = ( 0.4848485 0.0000000 0.5000000), wk = 0.0034722 k( 161) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0034722 k( 162) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0034722 k( 163) = ( 0.4912281 0.0175439 0.5000000), wk = 0.0034722 k( 164) = ( 0.4824561 0.0350877 0.5000000), wk = 0.0034722 k( 165) = ( 0.4736842 0.0526316 0.5000000), wk = 0.0034722 k( 166) = ( 0.4649123 0.0701754 0.5000000), wk = 0.0034722 k( 167) = ( 0.4561404 0.0877193 0.5000000), wk = 0.0034722 k( 168) = ( 0.4473684 0.1052632 0.5000000), wk = 0.0034722 k( 169) = ( 0.4385965 0.1228070 0.5000000), wk = 0.0034722 k( 170) = ( 0.4298246 0.1403509 0.5000000), wk = 0.0034722 k( 171) = ( 0.4210526 0.1578947 0.5000000), wk = 0.0034722 k( 172) = ( 0.4122807 0.1754386 0.5000000), wk = 0.0034722 k( 173) = ( 0.4035088 0.1929825 0.5000000), wk = 0.0034722 k( 174) = ( 0.3947368 0.2105263 0.5000000), wk = 0.0034722 k( 175) = ( 0.3859649 0.2280702 0.5000000), wk = 0.0034722 k( 176) = ( 0.3771930 0.2456140 0.5000000), wk = 0.0034722 k( 177) = ( 0.3684211 0.2631579 0.5000000), wk = 0.0034722 k( 178) = ( 0.3596491 0.2807017 0.5000000), wk = 0.0034722 k( 179) = ( 0.3508772 0.2982456 0.5000000), wk = 0.0034722 k( 180) = ( 0.3421053 0.3157895 0.5000000), wk = 0.0034722 k( 181) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0034722 k( 182) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0034722 k( 183) = ( 0.3245614 0.3245614 0.5000000), wk = 0.0034722 k( 184) = ( 0.3157895 0.3157895 0.5000000), wk = 0.0034722 k( 185) = ( 0.3070175 0.3070175 0.5000000), wk = 0.0034722 k( 186) = ( 0.2982456 0.2982456 0.5000000), wk = 0.0034722 k( 187) = ( 0.2894737 0.2894737 0.5000000), wk = 0.0034722 k( 188) = ( 0.2807018 0.2807018 0.5000000), wk = 0.0034722 k( 189) = ( 0.2719298 0.2719298 0.5000000), wk = 0.0034722 k( 190) = ( 0.2631579 0.2631579 0.5000000), wk = 0.0034722 k( 191) = ( 0.2543860 0.2543860 0.5000000), wk = 0.0034722 k( 192) = ( 0.2456140 0.2456140 0.5000000), wk = 0.0034722 k( 193) = ( 0.2368421 0.2368421 0.5000000), wk = 0.0034722 k( 194) = ( 0.2280702 0.2280702 0.5000000), wk = 0.0034722 k( 195) = ( 0.2192983 0.2192983 0.5000000), wk = 0.0034722 k( 196) = ( 0.2105263 0.2105263 0.5000000), wk = 0.0034722 k( 197) = ( 0.2017544 0.2017544 0.5000000), wk = 0.0034722 k( 198) = ( 0.1929825 0.1929825 0.5000000), wk = 0.0034722 k( 199) = ( 0.1842105 0.1842105 0.5000000), wk = 0.0034722 k( 200) = ( 0.1754386 0.1754386 0.5000000), wk = 0.0034722 k( 201) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0034722 k( 202) = ( 0.1578947 0.1578947 0.5000000), wk = 0.0034722 k( 203) = ( 0.1491228 0.1491228 0.5000000), wk = 0.0034722 k( 204) = ( 0.1403509 0.1403509 0.5000000), wk = 0.0034722 k( 205) = ( 0.1315790 0.1315790 0.5000000), wk = 0.0034722 k( 206) = ( 0.1228070 0.1228070 0.5000000), wk = 0.0034722 k( 207) = ( 0.1140351 0.1140351 0.5000000), wk = 0.0034722 k( 208) = ( 0.1052632 0.1052632 0.5000000), wk = 0.0034722 k( 209) = ( 0.0964912 0.0964912 0.5000000), wk = 0.0034722 k( 210) = ( 0.0877193 0.0877193 0.5000000), wk = 0.0034722 k( 211) = ( 0.0789474 0.0789474 0.5000000), wk = 0.0034722 k( 212) = ( 0.0701754 0.0701754 0.5000000), wk = 0.0034722 k( 213) = ( 0.0614035 0.0614035 0.5000000), wk = 0.0034722 k( 214) = ( 0.0526316 0.0526316 0.5000000), wk = 0.0034722 k( 215) = ( 0.0438597 0.0438597 0.5000000), wk = 0.0034722 k( 216) = ( 0.0350877 0.0350877 0.5000000), wk = 0.0034722 k( 217) = ( 0.0263158 0.0263158 0.5000000), wk = 0.0034722 k( 218) = ( 0.0175439 0.0175439 0.5000000), wk = 0.0034722 k( 219) = ( 0.0087719 0.0087719 0.5000000), wk = 0.0034722 k( 220) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034722 k( 221) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0034722 k( 222) = ( 0.5000000 0.0000000 0.4848485), wk = 0.0034722 k( 223) = ( 0.5000000 0.0000000 0.4696970), wk = 0.0034722 k( 224) = ( 0.5000000 0.0000000 0.4545455), wk = 0.0034722 k( 225) = ( 0.5000000 0.0000000 0.4393939), wk = 0.0034722 k( 226) = ( 0.5000000 0.0000000 0.4242424), wk = 0.0034722 k( 227) = ( 0.5000000 0.0000000 0.4090909), wk = 0.0034722 k( 228) = ( 0.5000000 0.0000000 0.3939394), wk = 0.0034722 k( 229) = ( 0.5000000 0.0000000 0.3787879), wk = 0.0034722 k( 230) = ( 0.5000000 0.0000000 0.3636364), wk = 0.0034722 k( 231) = ( 0.5000000 0.0000000 0.3484849), wk = 0.0034722 k( 232) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0034722 k( 233) = ( 0.5000000 0.0000000 0.3181818), wk = 0.0034722 k( 234) = ( 0.5000000 0.0000000 0.3030303), wk = 0.0034722 k( 235) = ( 0.5000000 0.0000000 0.2878788), wk = 0.0034722 k( 236) = ( 0.5000000 0.0000000 0.2727273), wk = 0.0034722 k( 237) = ( 0.5000000 0.0000000 0.2575758), wk = 0.0034722 k( 238) = ( 0.5000000 0.0000000 0.2424242), wk = 0.0034722 k( 239) = ( 0.5000000 0.0000000 0.2272727), wk = 0.0034722 k( 240) = ( 0.5000000 0.0000000 0.2121212), wk = 0.0034722 k( 241) = ( 0.5000000 0.0000000 0.1969697), wk = 0.0034722 k( 242) = ( 0.5000000 0.0000000 0.1818182), wk = 0.0034722 k( 243) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0034722 k( 244) = ( 0.5000000 0.0000000 0.1515151), wk = 0.0034722 k( 245) = ( 0.5000000 0.0000000 0.1363636), wk = 0.0034722 k( 246) = ( 0.5000000 0.0000000 0.1212121), wk = 0.0034722 k( 247) = ( 0.5000000 0.0000000 0.1060606), wk = 0.0034722 k( 248) = ( 0.5000000 0.0000000 0.0909091), wk = 0.0034722 k( 249) = ( 0.5000000 0.0000000 0.0757576), wk = 0.0034722 k( 250) = ( 0.5000000 0.0000000 0.0606061), wk = 0.0034722 k( 251) = ( 0.5000000 0.0000000 0.0454546), wk = 0.0034722 k( 252) = ( 0.5000000 0.0000000 0.0303030), wk = 0.0034722 k( 253) = ( 0.5000000 0.0000000 0.0151515), wk = 0.0034722 k( 254) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0034722 k( 255) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0034722 k( 256) = ( 0.3333333 0.3333333 0.0151515), wk = 0.0034722 k( 257) = ( 0.3333333 0.3333333 0.0303030), wk = 0.0034722 k( 258) = ( 0.3333333 0.3333333 0.0454545), wk = 0.0034722 k( 259) = ( 0.3333333 0.3333333 0.0606061), wk = 0.0034722 k( 260) = ( 0.3333333 0.3333333 0.0757576), wk = 0.0034722 k( 261) = ( 0.3333333 0.3333333 0.0909091), wk = 0.0034722 k( 262) = ( 0.3333333 0.3333333 0.1060606), wk = 0.0034722 k( 263) = ( 0.3333333 0.3333333 0.1212121), wk = 0.0034722 k( 264) = ( 0.3333333 0.3333333 0.1363636), wk = 0.0034722 k( 265) = ( 0.3333333 0.3333333 0.1515151), wk = 0.0034722 k( 266) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0034722 k( 267) = ( 0.3333333 0.3333333 0.1818182), wk = 0.0034722 k( 268) = ( 0.3333333 0.3333333 0.1969697), wk = 0.0034722 k( 269) = ( 0.3333333 0.3333333 0.2121212), wk = 0.0034722 k( 270) = ( 0.3333333 0.3333333 0.2272727), wk = 0.0034722 k( 271) = ( 0.3333333 0.3333333 0.2424242), wk = 0.0034722 k( 272) = ( 0.3333333 0.3333333 0.2575758), wk = 0.0034722 k( 273) = ( 0.3333333 0.3333333 0.2727273), wk = 0.0034722 k( 274) = ( 0.3333333 0.3333333 0.2878788), wk = 0.0034722 k( 275) = ( 0.3333333 0.3333333 0.3030303), wk = 0.0034722 k( 276) = ( 0.3333333 0.3333333 0.3181818), wk = 0.0034722 k( 277) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0034722 k( 278) = ( 0.3333333 0.3333333 0.3484849), wk = 0.0034722 k( 279) = ( 0.3333333 0.3333333 0.3636364), wk = 0.0034722 k( 280) = ( 0.3333333 0.3333333 0.3787879), wk = 0.0034722 k( 281) = ( 0.3333333 0.3333333 0.3939394), wk = 0.0034722 k( 282) = ( 0.3333333 0.3333333 0.4090909), wk = 0.0034722 k( 283) = ( 0.3333333 0.3333333 0.4242424), wk = 0.0034722 k( 284) = ( 0.3333333 0.3333333 0.4393939), wk = 0.0034722 k( 285) = ( 0.3333333 0.3333333 0.4545455), wk = 0.0034722 k( 286) = ( 0.3333333 0.3333333 0.4696970), wk = 0.0034722 k( 287) = ( 0.3333333 0.3333333 0.4848485), wk = 0.0034722 k( 288) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0034722 Dense grid: 87743 G-vectors FFT dimensions: ( 64, 64, 54) Smooth grid: 38901 G-vectors FFT dimensions: ( 48, 48, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.29 Mb ( 208, 92) NL pseudopotentials 0.35 Mb ( 104, 222) Each V/rho on FFT grid 0.12 Mb ( 8192) Each G-vector array 0.01 Mb ( 1826) G-vector shells 0.01 Mb ( 911) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.17 Mb ( 208, 368) Each subspace H/S matrix 2.07 Mb ( 368, 368) Each matrix 0.62 Mb ( 222, 2, 92) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./BaNiO3.save/charge-density.dat Starting wfc are 104 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 49.6 secs Computing kpt #: 2 total cpu time spent up to now is 56.7 secs Computing kpt #: 3 total cpu time spent up to now is 63.8 secs Computing kpt #: 4 total cpu time spent up to now is 70.9 secs Computing kpt #: 5 total cpu time spent up to now is 78.1 secs Computing kpt #: 6 total cpu time spent up to now is 85.3 secs Computing kpt #: 7 total cpu time spent up to now is 92.6 secs Computing kpt #: 8 total cpu time spent up to now is 99.7 secs Computing kpt #: 9 total cpu time spent up to now is 107.1 secs Computing kpt #: 10 total cpu time spent up to now is 114.2 secs Computing kpt #: 11 total cpu time spent up to now is 121.5 secs Computing kpt #: 12 total cpu time spent up to now is 128.9 secs Computing kpt #: 13 total cpu time spent up to now is 136.1 secs Computing kpt #: 14 total cpu time spent up to now is 145.1 secs Computing kpt #: 15 total cpu time spent up to now is 154.7 secs Computing kpt #: 16 total cpu time spent up to now is 162.9 secs Computing kpt #: 17 total cpu time spent up to now is 171.5 secs Computing kpt #: 18 total cpu time spent up to now is 179.2 secs Computing kpt #: 19 total cpu time spent up to now is 186.4 secs Computing kpt #: 20 total cpu time spent up to now is 193.5 secs Computing kpt #: 21 total cpu time spent up to now is 200.5 secs Computing kpt #: 22 total cpu time spent up to now is 207.6 secs Computing kpt #: 23 total cpu time spent up to now is 214.6 secs Computing kpt #: 24 total cpu time spent up to now is 221.6 secs Computing kpt #: 25 total cpu time spent up to now is 228.2 secs Computing kpt #: 26 total cpu time spent up to now is 235.3 secs Computing kpt #: 27 total cpu time spent up to now is 241.9 secs Computing kpt #: 28 total cpu time spent up to now is 248.6 secs Computing kpt #: 29 total cpu time spent up to now is 255.2 secs Computing kpt #: 30 total cpu time spent up to now is 262.0 secs Computing kpt #: 31 total cpu time spent up to now is 269.0 secs Computing kpt #: 32 total cpu time spent up to now is 276.9 secs Computing kpt #: 33 total cpu time spent up to now is 283.4 secs Computing kpt #: 34 total cpu time spent up to now is 289.6 secs Computing kpt #: 35 total cpu time spent up to now is 296.0 secs Computing kpt #: 36 total cpu time spent up to now is 303.0 secs Computing kpt #: 37 total cpu time spent up to now is 309.5 secs Computing kpt #: 38 total cpu time spent up to now is 316.1 secs Computing kpt #: 39 total cpu time spent up to now is 323.2 secs Computing kpt #: 40 total cpu time spent up to now is 330.3 secs Computing kpt #: 41 total cpu time spent up to now is 337.4 secs Computing kpt #: 42 total cpu time spent up to now is 344.6 secs Computing kpt #: 43 total cpu time spent up to now is 351.8 secs Computing kpt #: 44 total cpu time spent up to now is 360.5 secs Computing kpt #: 45 total cpu time spent up to now is 370.0 secs Computing kpt #: 46 total cpu time spent up to now is 379.7 secs Computing kpt #: 47 total cpu time spent up to now is 390.0 secs Computing kpt #: 48 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 403.0 secs Computing kpt #: 49 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 416.0 secs Computing kpt #: 50 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 429.1 secs Computing kpt #: 51 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 442.2 secs Computing kpt #: 52 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 456.7 secs Computing kpt #: 53 total cpu time spent up to now is 467.1 secs Computing kpt #: 54 total cpu time spent up to now is 476.6 secs Computing kpt #: 55 total cpu time spent up to now is 487.9 secs Computing kpt #: 56 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 505.8 secs Computing kpt #: 57 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 521.1 secs Computing kpt #: 58 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 533.9 secs Computing kpt #: 59 total cpu time spent up to now is 546.3 secs Computing kpt #: 60 total cpu time spent up to now is 559.8 secs Computing kpt #: 61 total cpu time spent up to now is 571.3 secs Computing kpt #: 62 total cpu time spent up to now is 582.0 secs Computing kpt #: 63 total cpu time spent up to now is 592.4 secs Computing kpt #: 64 total cpu time spent up to now is 602.4 secs Computing kpt #: 65 total cpu time spent up to now is 612.7 secs Computing kpt #: 66 total cpu time spent up to now is 623.3 secs Computing kpt #: 67 total cpu time spent up to now is 635.1 secs Computing kpt #: 68 total cpu time spent up to now is 645.0 secs Computing kpt #: 69 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 657.6 secs Computing kpt #: 70 total cpu time spent up to now is 667.7 secs Computing kpt #: 71 total cpu time spent up to now is 676.7 secs Computing kpt #: 72 total cpu time spent up to now is 684.1 secs Computing kpt #: 73 total cpu time spent up to now is 691.9 secs Computing kpt #: 74 total cpu time spent up to now is 699.3 secs Computing kpt #: 75 total cpu time spent up to now is 706.4 secs Computing kpt #: 76 total cpu time spent up to now is 713.6 secs Computing kpt #: 77 total cpu time spent up to now is 720.8 secs Computing kpt #: 78 total cpu time spent up to now is 728.2 secs Computing kpt #: 79 total cpu time spent up to now is 735.5 secs Computing kpt #: 80 total cpu time spent up to now is 743.0 secs Computing kpt #: 81 total cpu time spent up to now is 750.3 secs Computing kpt #: 82 total cpu time spent up to now is 757.7 secs Computing kpt #: 83 total cpu time spent up to now is 765.2 secs Computing kpt #: 84 total cpu time spent up to now is 772.6 secs Computing kpt #: 85 total cpu time spent up to now is 780.1 secs Computing kpt #: 86 total cpu time spent up to now is 787.2 secs Computing kpt #: 87 total cpu time spent up to now is 794.6 secs Computing kpt #: 88 total cpu time spent up to now is 801.7 secs Computing kpt #: 89 total cpu time spent up to now is 808.8 secs Computing kpt #: 90 total cpu time spent up to now is 816.1 secs Computing kpt #: 91 total cpu time spent up to now is 823.2 secs Computing kpt #: 92 total cpu time spent up to now is 830.4 secs Computing kpt #: 93 total cpu time spent up to now is 837.7 secs Computing kpt #: 94 total cpu time spent up to now is 844.6 secs Computing kpt #: 95 total cpu time spent up to now is 851.7 secs Computing kpt #: 96 total cpu time spent up to now is 858.9 secs Computing kpt #: 97 total cpu time spent up to now is 866.0 secs Computing kpt #: 98 total cpu time spent up to now is 878.6 secs Computing kpt #: 99 total cpu time spent up to now is 892.3 secs Computing kpt #: 100 total cpu time spent up to now is 900.8 secs Computing kpt #: 101 total cpu time spent up to now is 908.4 secs Computing kpt #: 102 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 923.7 secs Computing kpt #: 103 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 936.5 secs Computing kpt #: 104 total cpu time spent up to now is 946.7 secs Computing kpt #: 105 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 959.3 secs Computing kpt #: 106 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 976.5 secs Computing kpt #: 107 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 996.6 secs Computing kpt #: 108 total cpu time spent up to now is 1008.0 secs Computing kpt #: 109 total cpu time spent up to now is 1020.7 secs Computing kpt #: 110 total cpu time spent up to now is 1030.5 secs Computing kpt #: 111 total cpu time spent up to now is 1039.2 secs Computing kpt #: 112 total cpu time spent up to now is 1047.7 secs Computing kpt #: 113 total cpu time spent up to now is 1055.3 secs Computing kpt #: 114 total cpu time spent up to now is 1062.5 secs Computing kpt #: 115 total cpu time spent up to now is 1069.5 secs Computing kpt #: 116 total cpu time spent up to now is 1076.5 secs Computing kpt #: 117 total cpu time spent up to now is 1083.4 secs Computing kpt #: 118 total cpu time spent up to now is 1090.1 secs Computing kpt #: 119 total cpu time spent up to now is 1096.7 secs Computing kpt #: 120 total cpu time spent up to now is 1102.7 secs Computing kpt #: 121 total cpu time spent up to now is 1108.7 secs Computing kpt #: 122 total cpu time spent up to now is 1114.5 secs Computing kpt #: 123 total cpu time spent up to now is 1120.2 secs Computing kpt #: 124 total cpu time spent up to now is 1125.9 secs Computing kpt #: 125 total cpu time spent up to now is 1131.4 secs Computing kpt #: 126 total cpu time spent up to now is 1137.0 secs Computing kpt #: 127 total cpu time spent up to now is 1142.6 secs Computing kpt #: 128 total cpu time spent up to now is 1148.0 secs Computing kpt #: 129 total cpu time spent up to now is 1153.6 secs Computing kpt #: 130 total cpu time spent up to now is 1159.1 secs Computing kpt #: 131 total cpu time spent up to now is 1164.9 secs Computing kpt #: 132 total cpu time spent up to now is 1171.2 secs Computing kpt #: 133 total cpu time spent up to now is 1176.9 secs Computing kpt #: 134 total cpu time spent up to now is 1182.7 secs Computing kpt #: 135 total cpu time spent up to now is 1188.5 secs Computing kpt #: 136 total cpu time spent up to now is 1194.2 secs Computing kpt #: 137 total cpu time spent up to now is 1200.0 secs Computing kpt #: 138 total cpu time spent up to now is 1205.7 secs Computing kpt #: 139 total cpu time spent up to now is 1211.5 secs Computing kpt #: 140 total cpu time spent up to now is 1217.2 secs Computing kpt #: 141 total cpu time spent up to now is 1222.9 secs Computing kpt #: 142 total cpu time spent up to now is 1228.6 secs Computing kpt #: 143 total cpu time spent up to now is 1234.4 secs Computing kpt #: 144 total cpu time spent up to now is 1240.3 secs Computing kpt #: 145 total cpu time spent up to now is 1246.0 secs Computing kpt #: 146 total cpu time spent up to now is 1251.8 secs Computing kpt #: 147 total cpu time spent up to now is 1257.7 secs Computing kpt #: 148 total cpu time spent up to now is 1263.8 secs Computing kpt #: 149 total cpu time spent up to now is 1269.8 secs Computing kpt #: 150 total cpu time spent up to now is 1275.8 secs Computing kpt #: 151 total cpu time spent up to now is 1282.0 secs Computing kpt #: 152 total cpu time spent up to now is 1288.1 secs Computing kpt #: 153 total cpu time spent up to now is 1294.4 secs Computing kpt #: 154 total cpu time spent up to now is 1300.8 secs Computing kpt #: 155 total cpu time spent up to now is 1307.3 secs Computing kpt #: 156 total cpu time spent up to now is 1314.0 secs Computing kpt #: 157 total cpu time spent up to now is 1320.5 secs Computing kpt #: 158 total cpu time spent up to now is 1327.1 secs Computing kpt #: 159 total cpu time spent up to now is 1333.8 secs Computing kpt #: 160 total cpu time spent up to now is 1340.7 secs Computing kpt #: 161 total cpu time spent up to now is 1347.5 secs Computing kpt #: 162 total cpu time spent up to now is 1354.4 secs Computing kpt #: 163 total cpu time spent up to now is 1361.1 secs Computing kpt #: 164 total cpu time spent up to now is 1368.5 secs Computing kpt #: 165 total cpu time spent up to now is 1375.6 secs Computing kpt #: 166 total cpu time spent up to now is 1382.3 secs Computing kpt #: 167 total cpu time spent up to now is 1388.9 secs Computing kpt #: 168 total cpu time spent up to now is 1395.6 secs Computing kpt #: 169 total cpu time spent up to now is 1402.3 secs Computing kpt #: 170 total cpu time spent up to now is 1408.8 secs Computing kpt #: 171 total cpu time spent up to now is 1415.0 secs Computing kpt #: 172 total cpu time spent up to now is 1421.2 secs Computing kpt #: 173 total cpu time spent up to now is 1427.2 secs Computing kpt #: 174 total cpu time spent up to now is 1433.4 secs Computing kpt #: 175 total cpu time spent up to now is 1439.5 secs Computing kpt #: 176 total cpu time spent up to now is 1445.6 secs Computing kpt #: 177 total cpu time spent up to now is 1451.5 secs Computing kpt #: 178 total cpu time spent up to now is 1457.4 secs Computing kpt #: 179 total cpu time spent up to now is 1463.5 secs Computing kpt #: 180 total cpu time spent up to now is 1470.3 secs Computing kpt #: 181 total cpu time spent up to now is 1476.9 secs Computing kpt #: 182 total cpu time spent up to now is 1482.6 secs Computing kpt #: 183 total cpu time spent up to now is 1488.4 secs Computing kpt #: 184 total cpu time spent up to now is 1494.3 secs Computing kpt #: 185 total cpu time spent up to now is 1500.3 secs Computing kpt #: 186 total cpu time spent up to now is 1506.2 secs Computing kpt #: 187 total cpu time spent up to now is 1512.4 secs Computing kpt #: 188 total cpu time spent up to now is 1518.3 secs Computing kpt #: 189 total cpu time spent up to now is 1524.3 secs Computing kpt #: 190 total cpu time spent up to now is 1530.2 secs Computing kpt #: 191 total cpu time spent up to now is 1536.2 secs Computing kpt #: 192 total cpu time spent up to now is 1542.2 secs Computing kpt #: 193 total cpu time spent up to now is 1548.1 secs Computing kpt #: 194 total cpu time spent up to now is 1554.0 secs Computing kpt #: 195 total cpu time spent up to now is 1559.8 secs Computing kpt #: 196 total cpu time spent up to now is 1565.8 secs Computing kpt #: 197 total cpu time spent up to now is 1571.6 secs Computing kpt #: 198 total cpu time spent up to now is 1577.5 secs Computing kpt #: 199 total cpu time spent up to now is 1583.4 secs Computing kpt #: 200 total cpu time spent up to now is 1589.5 secs Computing kpt #: 201 total cpu time spent up to now is 1595.2 secs Computing kpt #: 202 total cpu time spent up to now is 1601.2 secs Computing kpt #: 203 total cpu time spent up to now is 1607.1 secs Computing kpt #: 204 total cpu time spent up to now is 1613.0 secs Computing kpt #: 205 total cpu time spent up to now is 1618.8 secs Computing kpt #: 206 total cpu time spent up to now is 1624.7 secs Computing kpt #: 207 total cpu time spent up to now is 1630.4 secs Computing kpt #: 208 total cpu time spent up to now is 1636.2 secs Computing kpt #: 209 total cpu time spent up to now is 1641.9 secs Computing kpt #: 210 total cpu time spent up to now is 1647.9 secs Computing kpt #: 211 total cpu time spent up to now is 1653.7 secs Computing kpt #: 212 total cpu time spent up to now is 1659.5 secs Computing kpt #: 213 total cpu time spent up to now is 1665.4 secs Computing kpt #: 214 total cpu time spent up to now is 1671.2 secs Computing kpt #: 215 total cpu time spent up to now is 1676.8 secs Computing kpt #: 216 total cpu time spent up to now is 1682.5 secs Computing kpt #: 217 total cpu time spent up to now is 1688.1 secs Computing kpt #: 218 total cpu time spent up to now is 1693.8 secs Computing kpt #: 219 total cpu time spent up to now is 1699.1 secs Computing kpt #: 220 total cpu time spent up to now is 1704.5 secs Computing kpt #: 221 total cpu time spent up to now is 1711.0 secs Computing kpt #: 222 total cpu time spent up to now is 1717.7 secs Computing kpt #: 223 total cpu time spent up to now is 1724.4 secs Computing kpt #: 224 total cpu time spent up to now is 1731.5 secs Computing kpt #: 225 total cpu time spent up to now is 1738.2 secs Computing kpt #: 226 total cpu time spent up to now is 1745.0 secs Computing kpt #: 227 total cpu time spent up to now is 1752.1 secs Computing kpt #: 228 total cpu time spent up to now is 1759.1 secs Computing kpt #: 229 total cpu time spent up to now is 1766.2 secs Computing kpt #: 230 total cpu time spent up to now is 1774.2 secs Computing kpt #: 231 total cpu time spent up to now is 1782.2 secs Computing kpt #: 232 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1794.3 secs Computing kpt #: 233 total cpu time spent up to now is 1804.2 secs Computing kpt #: 234 total cpu time spent up to now is 1812.7 secs Computing kpt #: 235 total cpu time spent up to now is 1819.9 secs Computing kpt #: 236 total cpu time spent up to now is 1827.1 secs Computing kpt #: 237 total cpu time spent up to now is 1834.0 secs Computing kpt #: 238 total cpu time spent up to now is 1841.2 secs Computing kpt #: 239 total cpu time spent up to now is 1848.2 secs Computing kpt #: 240 total cpu time spent up to now is 1855.3 secs Computing kpt #: 241 total cpu time spent up to now is 1862.3 secs Computing kpt #: 242 total cpu time spent up to now is 1869.6 secs Computing kpt #: 243 total cpu time spent up to now is 1879.0 secs Computing kpt #: 244 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1891.4 secs Computing kpt #: 245 total cpu time spent up to now is 1901.3 secs Computing kpt #: 246 total cpu time spent up to now is 1908.4 secs Computing kpt #: 247 total cpu time spent up to now is 1916.3 secs Computing kpt #: 248 total cpu time spent up to now is 1923.3 secs Computing kpt #: 249 total cpu time spent up to now is 1930.2 secs Computing kpt #: 250 total cpu time spent up to now is 1937.2 secs Computing kpt #: 251 total cpu time spent up to now is 1944.1 secs Computing kpt #: 252 total cpu time spent up to now is 1950.5 secs Computing kpt #: 253 total cpu time spent up to now is 1956.9 secs Computing kpt #: 254 total cpu time spent up to now is 1963.5 secs Computing kpt #: 255 total cpu time spent up to now is 1974.2 secs Computing kpt #: 256 total cpu time spent up to now is 1983.3 secs Computing kpt #: 257 total cpu time spent up to now is 1991.2 secs Computing kpt #: 258 total cpu time spent up to now is 1999.9 secs Computing kpt #: 259 total cpu time spent up to now is 2008.6 secs Computing kpt #: 260 total cpu time spent up to now is 2016.4 secs Computing kpt #: 261 total cpu time spent up to now is 2025.3 secs Computing kpt #: 262 total cpu time spent up to now is 2032.9 secs Computing kpt #: 263 total cpu time spent up to now is 2040.8 secs Computing kpt #: 264 total cpu time spent up to now is 2048.6 secs Computing kpt #: 265 total cpu time spent up to now is 2056.3 secs Computing kpt #: 266 total cpu time spent up to now is 2064.2 secs Computing kpt #: 267 total cpu time spent up to now is 2074.9 secs Computing kpt #: 268 total cpu time spent up to now is 2084.9 secs Computing kpt #: 269 total cpu time spent up to now is 2096.5 secs Computing kpt #: 270 total cpu time spent up to now is 2106.6 secs Computing kpt #: 271 total cpu time spent up to now is 2115.3 secs Computing kpt #: 272 total cpu time spent up to now is 2124.0 secs Computing kpt #: 273 total cpu time spent up to now is 2131.2 secs Computing kpt #: 274 total cpu time spent up to now is 2138.3 secs Computing kpt #: 275 total cpu time spent up to now is 2145.3 secs Computing kpt #: 276 total cpu time spent up to now is 2151.9 secs Computing kpt #: 277 total cpu time spent up to now is 2158.6 secs Computing kpt #: 278 total cpu time spent up to now is 2164.8 secs Computing kpt #: 279 total cpu time spent up to now is 2170.9 secs Computing kpt #: 280 total cpu time spent up to now is 2177.0 secs Computing kpt #: 281 total cpu time spent up to now is 2183.0 secs Computing kpt #: 282 total cpu time spent up to now is 2188.9 secs Computing kpt #: 283 total cpu time spent up to now is 2195.2 secs Computing kpt #: 284 total cpu time spent up to now is 2201.5 secs Computing kpt #: 285 total cpu time spent up to now is 2207.7 secs Computing kpt #: 286 total cpu time spent up to now is 2213.5 secs Computing kpt #: 287 total cpu time spent up to now is 2219.3 secs Computing kpt #: 288 total cpu time spent up to now is 2225.1 secs ethr = 1.32E-11, avg # of iterations = 49.3 total cpu time spent up to now is 2225.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4861 PWs) bands (ev): -16.4376 -16.4376 -16.2359 -16.2359 -9.3402 -9.3402 -8.2579 -8.2579 -8.0706 -8.0706 -8.0525 -8.0525 -7.8921 -7.8921 -7.8868 -7.8868 -3.3189 -3.3189 -2.8215 -2.8215 -1.5613 -1.5613 -1.5012 -1.5012 -0.8512 -0.8512 -0.7726 -0.7726 2.8900 2.8900 3.8793 3.8793 4.2176 4.2176 4.3339 4.3339 4.4132 4.4132 4.4340 4.4340 4.6383 4.6383 5.1417 5.1417 5.1901 5.1901 5.9141 5.9141 5.9238 5.9238 5.9287 5.9287 5.9850 5.9850 6.0466 6.0466 7.5113 7.5113 7.5284 7.5284 7.7451 7.7451 8.1716 8.1716 8.2708 8.2708 8.4949 8.4949 8.5994 8.5994 8.7761 8.7761 9.1026 9.1026 9.1472 9.1472 10.3612 10.3612 10.3979 10.3979 11.1035 11.1035 11.1325 11.1325 14.9410 14.9410 14.9937 14.9937 15.1323 15.1323 15.4055 15.4055 k = 0.0152 0.0087-0.0000 ( 4861 PWs) bands (ev): -16.4375 -16.4375 -16.2360 -16.2360 -9.3407 -9.3406 -8.2579 -8.2578 -8.0708 -8.0707 -8.0527 -8.0527 -7.8923 -7.8920 -7.8868 -7.8868 -3.3200 -3.3162 -2.8219 -2.8209 -1.5602 -1.5602 -1.5027 -1.4983 -0.8509 -0.8509 -0.7739 -0.7716 2.8902 2.8915 3.8764 3.8801 4.2119 4.2207 4.3327 4.3328 4.4127 4.4127 4.4341 4.4344 4.6371 4.6425 5.1418 5.1418 5.1885 5.1921 5.9090 5.9152 5.9195 5.9228 5.9310 5.9321 5.9846 5.9849 6.0427 6.0533 7.5109 7.5112 7.5282 7.5282 7.7439 7.7439 8.1689 8.1722 8.2694 8.2695 8.4948 8.4949 8.5986 8.5989 8.7757 8.7763 9.1013 9.1026 9.1463 9.1463 10.3614 10.3614 10.3979 10.3983 11.1022 11.1027 11.1315 11.1315 14.9412 14.9424 14.9944 14.9945 15.1348 15.1358 15.4074 15.4087 k = 0.0303 0.0175-0.0000 ( 4857 PWs) bands (ev): -16.4371 -16.4371 -16.2362 -16.2362 -9.3419 -9.3417 -8.2578 -8.2576 -8.0714 -8.0712 -8.0535 -8.0535 -7.8924 -7.8918 -7.8868 -7.8868 -3.3198 -3.3122 -2.8221 -2.8202 -1.5569 -1.5567 -1.5027 -1.4939 -0.8501 -0.8500 -0.7754 -0.7709 2.8921 2.8948 3.8714 3.8786 4.2038 4.2213 4.3291 4.3298 4.4112 4.4113 4.4347 4.4354 4.6388 4.6492 5.1422 5.1424 5.1875 5.1946 5.9019 5.9096 5.9165 5.9184 5.9353 5.9373 5.9830 5.9852 6.0423 6.0619 7.5100 7.5106 7.5275 7.5275 7.7403 7.7404 8.1642 8.1709 8.2654 8.2656 8.4944 8.4946 8.5968 8.5974 8.7751 8.7763 9.0987 9.1012 9.1437 9.1438 10.3620 10.3620 10.3984 10.3991 11.0985 11.0995 11.1288 11.1289 14.9429 14.9452 14.9968 14.9971 15.1431 15.1453 15.4143 15.4169 k = 0.0455 0.0262-0.0000 ( 4857 PWs) bands (ev): -16.4364 -16.4364 -16.2366 -16.2366 -9.3439 -9.3435 -8.2576 -8.2573 -8.0724 -8.0720 -8.0547 -8.0547 -7.8927 -7.8917 -7.8869 -7.8867 -3.3180 -3.3067 -2.8220 -2.8193 -1.5516 -1.5509 -1.5014 -1.4878 -0.8486 -0.8485 -0.7772 -0.7703 2.8959 2.8999 3.8643 3.8748 4.1933 4.2192 4.3229 4.3250 4.4093 4.4096 4.4356 4.4366 4.6434 4.6578 5.1427 5.1434 5.1870 5.1978 5.8936 5.9011 5.9121 5.9126 5.9400 5.9426 5.9803 5.9860 6.0453 6.0716 7.5084 7.5091 7.5264 7.5265 7.7345 7.7346 8.1572 8.1676 8.2589 8.2595 8.4938 8.4940 8.5939 8.5948 8.7744 8.7761 9.0943 9.0982 9.1398 9.1400 10.3629 10.3629 10.3993 10.4003 11.0914 11.0932 11.1251 11.1256 14.9460 14.9490 15.0007 15.0018 15.1573 15.1607 15.4261 15.4299 k = 0.0606 0.0350-0.0000 ( 4844 PWs) bands (ev): -16.4355 -16.4355 -16.2371 -16.2371 -9.3466 -9.3461 -8.2572 -8.2568 -8.0738 -8.0733 -8.0564 -8.0564 -7.8932 -7.8918 -7.8868 -7.8865 -3.3148 -3.2998 -2.8218 -2.8183 -1.5445 -1.5427 -1.4988 -1.4800 -0.8467 -0.8464 -0.7791 -0.7701 2.9013 2.9066 3.8553 3.8689 4.1806 4.2143 4.3142 4.3186 4.4074 4.4081 4.4365 4.4379 4.6504 4.6678 5.1431 5.1448 5.1872 5.2015 5.8843 5.8909 5.9047 5.9076 5.9445 5.9478 5.9769 5.9874 6.0509 6.0819 7.5059 7.5067 7.5251 7.5254 7.7266 7.7268 8.1478 8.1620 8.2502 8.2516 8.4930 8.4933 8.5899 8.5911 8.7736 8.7758 9.0878 9.0931 9.1350 9.1354 10.3641 10.3641 10.4007 10.4019 11.0805 11.0831 11.1214 11.1223 14.9504 14.9536 15.0064 15.0089 15.1770 15.1816 15.4423 15.4473 k = 0.0758 0.0437-0.0000 ( 4846 PWs) bands (ev): -16.4343 -16.4343 -16.2378 -16.2378 -9.3500 -9.3495 -8.2568 -8.2563 -8.0754 -8.0748 -8.0585 -8.0585 -7.8939 -7.8922 -7.8864 -7.8861 -3.3102 -3.2916 -2.8214 -2.8171 -1.5357 -1.5322 -1.4949 -1.4702 -0.8443 -0.8437 -0.7813 -0.7701 2.9085 2.9150 3.8445 3.8608 4.1657 4.2064 4.3035 4.3107 4.4058 4.4072 4.4375 4.4394 4.6593 4.6785 5.1434 5.1462 5.1881 5.2059 5.8740 5.8793 5.8966 5.9018 5.9486 5.9529 5.9737 5.9890 6.0582 6.0924 7.5023 7.5032 7.5236 7.5241 7.7170 7.7171 8.1358 8.1539 8.2398 8.2422 8.4919 8.4923 8.5848 8.5863 8.7726 8.7753 9.0787 9.0853 9.1302 9.1307 10.3657 10.3657 10.4025 10.4040 11.0654 11.0687 11.1182 11.1194 14.9557 14.9584 15.0141 15.0188 15.2018 15.2078 15.4624 15.4687 k = 0.0909 0.0525-0.0000 ( 4842 PWs) bands (ev): -16.4329 -16.4329 -16.2386 -16.2386 -9.3541 -9.3535 -8.2564 -8.2557 -8.0773 -8.0766 -8.0609 -8.0609 -7.8951 -7.8931 -7.8858 -7.8855 -3.3043 -3.2822 -2.8208 -2.8160 -1.5255 -1.5193 -1.4898 -1.4584 -0.8415 -0.8405 -0.7836 -0.7704 2.9173 2.9249 3.8321 3.8507 4.1490 4.1954 4.2915 4.3017 4.4046 4.4067 4.4385 4.4409 4.6694 4.6894 5.1434 5.1474 5.1901 5.2109 5.8628 5.8664 5.8881 5.8954 5.9520 5.9580 5.9712 5.9906 6.0665 6.1031 7.4977 7.4986 7.5219 7.5225 7.7059 7.7060 8.1208 8.1428 8.2282 8.2319 8.4907 8.4911 8.5786 8.5803 8.7716 8.7747 9.0669 9.0744 9.1259 9.1263 10.3676 10.3676 10.4048 10.4065 11.0466 11.0505 11.1153 11.1168 14.9616 14.9634 15.0241 15.0317 15.2313 15.2388 15.4858 15.4931 k = 0.1061 0.0612-0.0000 ( 4840 PWs) bands (ev): -16.4313 -16.4313 -16.2396 -16.2396 -9.3588 -9.3581 -8.2558 -8.2551 -8.0794 -8.0787 -8.0635 -8.0635 -7.8966 -7.8944 -7.8851 -7.8847 -3.2971 -3.2716 -2.8200 -2.8147 -1.5142 -1.5043 -1.4834 -1.4443 -0.8383 -0.8367 -0.7861 -0.7709 2.9277 2.9364 3.8182 3.8386 4.1306 4.1811 4.2789 4.2917 4.4038 4.4067 4.4395 4.4424 4.6803 4.7001 5.1431 5.1483 5.1932 5.2163 5.8508 5.8526 5.8794 5.8886 5.9546 5.9630 5.9698 5.9921 6.0756 6.1138 7.4921 7.4929 7.5196 7.5203 7.6938 7.6942 8.1027 8.1283 8.2164 8.2212 8.4892 8.4896 8.5712 8.5731 8.7705 8.7740 9.0523 9.0606 9.1220 9.1222 10.3697 10.3699 10.4076 10.4094 11.0244 11.0288 11.1127 11.1144 14.9678 14.9684 15.0367 15.0476 15.2650 15.2742 15.5117 15.5199 k = 0.1212 0.0700-0.0000 ( 4836 PWs) bands (ev): -16.4294 -16.4294 -16.2407 -16.2407 -9.3642 -9.3634 -8.2553 -8.2544 -8.0818 -8.0810 -8.0663 -8.0663 -7.8985 -7.8961 -7.8841 -7.8838 -3.2886 -3.2599 -2.8191 -2.8135 -1.5020 -1.4873 -1.4757 -1.4280 -0.8350 -0.8325 -0.7888 -0.7716 2.9397 2.9494 3.8030 3.8248 4.1106 4.1637 4.2663 4.2809 4.4033 4.4070 4.4405 4.4440 4.6914 4.7103 5.1425 5.1486 5.1976 5.2221 5.8381 5.8383 5.8708 5.8814 5.9562 5.9681 5.9697 5.9933 6.0851 6.1245 7.4855 7.4864 7.5162 7.5168 7.6814 7.6822 8.0814 8.1100 8.2049 8.2106 8.4875 8.4880 8.5627 8.5648 8.7694 8.7732 9.0353 9.0443 9.1185 9.1187 10.3722 10.3723 10.4109 10.4129 10.9992 11.0042 11.1102 11.1120 14.9734 14.9741 15.0520 15.0663 15.3023 15.3132 15.5394 15.5482 k = 0.1364 0.0787-0.0000 ( 4840 PWs) bands (ev): -16.4272 -16.4272 -16.2420 -16.2420 -9.3701 -9.3693 -8.2546 -8.2536 -8.0844 -8.0836 -8.0692 -8.0692 -7.9007 -7.8982 -7.8831 -7.8828 -3.2790 -3.2471 -2.8180 -2.8123 -1.4890 -1.4704 -1.4647 -1.4093 -0.8316 -0.8279 -0.7915 -0.7724 2.9531 2.9637 3.7867 3.8094 4.0894 4.1434 4.2539 4.2694 4.4030 4.4074 4.4415 4.4456 4.7024 4.7198 5.1415 5.1483 5.2030 5.2280 5.8234 5.8256 5.8621 5.8740 5.9571 5.9705 5.9731 5.9941 6.0950 6.1351 7.4782 7.4792 7.5113 7.5115 7.6693 7.6708 8.0569 8.0879 8.1941 8.2003 8.4857 8.4861 8.5530 8.5554 8.7683 8.7723 9.0162 9.0257 9.1150 9.1156 10.3748 10.3750 10.4147 10.4167 10.9714 10.9769 11.1077 11.1096 14.9786 14.9803 15.0700 15.0877 15.3425 15.3551 15.5684 15.5774 k = 0.1515 0.0875-0.0000 ( 4842 PWs) bands (ev): -16.4249 -16.4249 -16.2434 -16.2434 -9.3765 -9.3756 -8.2540 -8.2528 -8.0871 -8.0863 -8.0720 -8.0719 -7.9034 -7.9008 -7.8819 -7.8817 -3.2683 -3.2335 -2.8168 -2.8112 -1.4755 -1.4591 -1.4451 -1.3884 -0.8282 -0.8231 -0.7943 -0.7732 2.9679 2.9793 3.7693 3.7925 4.0671 4.1207 4.2417 4.2574 4.4029 4.4078 4.4426 4.4473 4.7128 4.7283 5.1403 5.1475 5.2092 5.2338 5.8086 5.8127 5.8535 5.8663 5.9577 5.9719 5.9782 5.9946 6.1051 6.1457 7.4703 7.4715 7.5038 7.5041 7.6586 7.6608 8.0295 8.0621 8.1841 8.1904 8.4836 8.4840 8.5423 8.5448 8.7672 8.7714 8.9954 9.0053 9.1117 9.1127 10.3777 10.3780 10.4190 10.4210 10.9414 10.9473 11.1052 11.1073 14.9839 14.9866 15.0906 15.1116 15.3849 15.3992 15.5986 15.6074 k = 0.1667 0.0962-0.0000 ( 4844 PWs) bands (ev): -16.4224 -16.4224 -16.2449 -16.2449 -9.3834 -9.3824 -8.2534 -8.2521 -8.0901 -8.0894 -8.0746 -8.0745 -7.9065 -7.9038 -7.8808 -7.8806 -3.2566 -3.2190 -2.8155 -2.8102 -1.4614 -1.4484 -1.4220 -1.3652 -0.8252 -0.8185 -0.7967 -0.7739 2.9839 2.9960 3.7511 3.7745 4.0438 4.0960 4.2296 4.2450 4.4027 4.4080 4.4437 4.4491 4.7225 4.7357 5.1389 5.1463 5.2159 5.2394 5.7944 5.8001 5.8449 5.8584 5.9583 5.9734 5.9831 5.9947 6.1157 6.1564 7.4619 7.4633 7.4932 7.4943 7.6498 7.6528 7.9994 8.0330 8.1750 8.1810 8.4813 8.4817 8.5305 8.5332 8.7662 8.7705 8.9732 8.9836 9.1086 9.1098 10.3809 10.3811 10.4237 10.4257 10.9095 10.9158 11.1028 11.1049 14.9894 14.9928 15.1138 15.1379 15.4285 15.4444 15.6301 15.6383 k = 0.1818 0.1050-0.0000 ( 4852 PWs) bands (ev): -16.4196 -16.4196 -16.2466 -16.2466 -9.3906 -9.3896 -8.2527 -8.2513 -8.0934 -8.0927 -8.0769 -8.0768 -7.9099 -7.9071 -7.8796 -7.8795 -3.2441 -3.2039 -2.8142 -2.8094 -1.4468 -1.4369 -1.3970 -1.3401 -0.8229 -0.8149 -0.7979 -0.7742 3.0011 3.0137 3.7322 3.7554 4.0197 4.0699 4.2175 4.2323 4.4024 4.4081 4.4449 4.4508 4.7313 4.7420 5.1372 5.1448 5.2228 5.2444 5.7808 5.7880 5.8364 5.8503 5.9589 5.9750 5.9877 5.9946 6.1265 6.1672 7.4530 7.4548 7.4795 7.4815 7.6436 7.6474 7.9670 8.0011 8.1665 8.1722 8.4788 8.4791 8.5178 8.5207 8.7653 8.7696 8.9501 8.9608 9.1054 9.1069 10.3842 10.3845 10.4288 10.4308 10.8760 10.8826 11.1003 11.1025 14.9952 14.9991 15.1394 15.1664 15.4727 15.4898 15.6631 15.6702 k = 0.1970 0.1137-0.0000 ( 4856 PWs) bands (ev): -16.4167 -16.4167 -16.2485 -16.2484 -9.3982 -9.3972 -8.2521 -8.2505 -8.0968 -8.0963 -8.0789 -8.0788 -7.9137 -7.9109 -7.8785 -7.8784 -3.2307 -3.1882 -2.8129 -2.8087 -1.4317 -1.4246 -1.3705 -1.3132 -0.8215 -0.8139 -0.7965 -0.7740 3.0193 3.0324 3.7129 3.7356 3.9950 4.0426 4.2054 4.2193 4.4018 4.4078 4.4462 4.4526 4.7389 4.7472 5.1355 5.1431 5.2293 5.2486 5.7684 5.7766 5.8280 5.8422 5.9595 5.9766 5.9904 5.9959 6.1378 6.1781 7.4436 7.4461 7.4631 7.4661 7.6399 7.6444 7.9326 7.9669 8.1588 8.1640 8.4762 8.4762 8.5043 8.5072 8.7644 8.7686 8.9263 8.9372 9.1023 9.1040 10.3877 10.3879 10.4343 10.4362 10.8413 10.8483 11.0979 11.1002 15.0011 15.0055 15.1673 15.1970 15.5166 15.5343 15.6981 15.7033 k = 0.2121 0.1225-0.0000 ( 4854 PWs) bands (ev): -16.4136 -16.4136 -16.2504 -16.2504 -9.4060 -9.4049 -8.2514 -8.2497 -8.1005 -8.1000 -8.0805 -8.0804 -7.9180 -7.9151 -7.8774 -7.8773 -3.2167 -3.1720 -2.8116 -2.8084 -1.4162 -1.4115 -1.3425 -1.2847 -0.8212 -0.8158 -0.7923 -0.7730 3.0384 3.0518 3.6932 3.7152 3.9699 4.0146 4.1931 4.2061 4.4009 4.4072 4.4477 4.4545 4.7454 4.7512 5.1336 5.1412 5.2352 5.2517 5.7575 5.7664 5.8199 5.8341 5.9598 5.9785 5.9898 5.9998 6.1495 6.1894 7.4334 7.4372 7.4447 7.4491 7.6386 7.6436 7.8964 7.9306 8.1516 8.1564 8.4726 8.4731 8.4905 8.4931 8.7636 8.7676 8.9023 8.9133 9.0992 9.1010 10.3914 10.3915 10.4401 10.4418 10.8057 10.8131 11.0955 11.0979 15.0073 15.0119 15.1972 15.2295 15.5594 15.5771 15.7352 15.7377 k = 0.2273 0.1312-0.0000 ( 4838 PWs) bands (ev): -16.4103 -16.4103 -16.2525 -16.2525 -9.4140 -9.4129 -8.2508 -8.2489 -8.1042 -8.1038 -8.0816 -8.0816 -7.9225 -7.9196 -7.8763 -7.8762 -3.2020 -3.1554 -2.8104 -2.8083 -1.4002 -1.3977 -1.3133 -1.2548 -0.8224 -0.8191 -0.7867 -0.7712 3.0583 3.0718 3.6734 3.6944 3.9445 3.9862 4.1808 4.1928 4.3996 4.4061 4.4493 4.4564 4.7507 4.7540 5.1317 5.1393 5.2401 5.2534 5.7484 5.7575 5.8119 5.8260 5.9597 5.9808 5.9879 6.0045 6.1617 6.2010 7.4201 7.4230 7.4298 7.4334 7.6393 7.6447 7.8589 7.8927 8.1450 8.1495 8.4665 8.4689 8.4784 8.4794 8.7628 8.7665 8.8783 8.8893 9.0961 9.0980 10.3951 10.3952 10.4461 10.4477 10.7697 10.7774 11.0932 11.0956 15.0136 15.0184 15.2291 15.2638 15.6006 15.6174 15.7732 15.7742 k = 0.2424 0.1400-0.0000 ( 4830 PWs) bands (ev): -16.4069 -16.4069 -16.2547 -16.2547 -9.4220 -9.4210 -8.2501 -8.2481 -8.1081 -8.1078 -8.0825 -8.0824 -7.9274 -7.9245 -7.8753 -7.8752 -3.1869 -3.1386 -2.8093 -2.8085 -1.3839 -1.3832 -1.2831 -1.2240 -0.8248 -0.8233 -0.7805 -0.7687 3.0786 3.0922 3.6535 3.6735 3.9191 3.9576 4.1686 4.1795 4.3978 4.4046 4.4511 4.4583 4.7547 4.7559 5.1297 5.1373 5.2435 5.2537 5.7413 5.7502 5.8042 5.8181 5.9589 5.9835 5.9852 6.0092 6.1745 6.2130 7.4017 7.4019 7.4210 7.4217 7.6415 7.6471 7.8204 7.8535 8.1391 8.1432 8.4541 8.4586 8.4709 8.4716 8.7620 8.7650 8.8548 8.8656 9.0930 9.0950 10.3987 10.3991 10.4523 10.4538 10.7334 10.7414 11.0910 11.0935 15.0201 15.0249 15.2627 15.2997 15.6398 15.6551 15.8096 15.8147 k = 0.2576 0.1487-0.0000 ( 4830 PWs) bands (ev): -16.4034 -16.4034 -16.2570 -16.2570 -9.4302 -9.4291 -8.2494 -8.2473 -8.1120 -8.1117 -8.0830 -8.0828 -7.9326 -7.9296 -7.8743 -7.8743 -3.1713 -3.1217 -2.8091 -2.8084 -1.3682 -1.3672 -1.2521 -1.1922 -0.8285 -0.8279 -0.7742 -0.7657 3.0993 3.1128 3.6338 3.6526 3.8937 3.9290 4.1562 4.1662 4.3955 4.4025 4.4530 4.4603 4.7567 4.7576 5.1277 5.1354 5.2454 5.2523 5.7364 5.7447 5.7968 5.8102 5.9575 5.9820 5.9867 6.0139 6.1879 6.2255 7.3799 7.3808 7.4120 7.4126 7.6449 7.6507 7.7812 7.8134 8.1338 8.1376 8.4383 8.4431 8.4669 8.4676 8.7608 8.7630 8.8324 8.8424 9.0898 9.0919 10.4023 10.4031 10.4587 10.4599 10.6972 10.7056 11.0889 11.0914 15.0267 15.0314 15.2980 15.3369 15.6769 15.6902 15.8461 15.8558 k = 0.2727 0.1575-0.0000 ( 4826 PWs) bands (ev): -16.3998 -16.3998 -16.2594 -16.2594 -9.4382 -9.4372 -8.2487 -8.2464 -8.1158 -8.1156 -8.0832 -8.0829 -7.9380 -7.9351 -7.8734 -7.8734 -3.1555 -3.1047 -2.8101 -2.8078 -1.3527 -1.3502 -1.2205 -1.1600 -0.8331 -0.8330 -0.7678 -0.7626 3.1202 3.1334 3.6144 3.6319 3.8686 3.9007 4.1440 4.1530 4.3927 4.4000 4.4551 4.4623 4.7566 4.7593 5.1258 5.1335 5.2455 5.2493 5.7337 5.7410 5.7899 5.8026 5.9555 5.9782 5.9902 6.0183 6.2020 6.2385 7.3579 7.3592 7.4030 7.4045 7.6492 7.6550 7.7417 7.7727 8.1292 8.1328 8.4214 8.4263 8.4636 8.4642 8.7591 8.7596 8.8120 8.8205 9.0867 9.0887 10.4057 10.4071 10.4650 10.4660 10.6615 10.6704 11.0869 11.0893 15.0332 15.0379 15.3346 15.3754 15.7119 15.7230 15.8824 15.8964 k = 0.2879 0.1662-0.0000 ( 4838 PWs) bands (ev): -16.3961 -16.3961 -16.2619 -16.2619 -9.4462 -9.4452 -8.2479 -8.2456 -8.1196 -8.1195 -8.0831 -8.0827 -7.9436 -7.9407 -7.8726 -7.8725 -3.1395 -3.0879 -2.8116 -2.8074 -1.3368 -1.3330 -1.1887 -1.1274 -0.8387 -0.8383 -0.7616 -0.7595 3.1410 3.1538 3.5954 3.6116 3.8439 3.8729 4.1319 4.1401 4.3895 4.3969 4.4572 4.4642 4.7558 4.7600 5.1239 5.1317 5.2439 5.2447 5.7331 5.7391 5.7835 5.7953 5.9528 5.9739 5.9941 6.0225 6.2166 6.2521 7.3361 7.3377 7.3942 7.3966 7.6540 7.6598 7.7023 7.7319 8.1253 8.1287 8.4040 8.4090 8.4605 8.4609 8.7532 8.7558 8.7954 8.8009 9.0836 9.0856 10.4090 10.4111 10.4714 10.4720 10.6266 10.6359 11.0850 11.0874 15.0398 15.0444 15.3725 15.4149 15.7449 15.7539 15.9175 15.9357 k = 0.3030 0.1750-0.0000 ( 4838 PWs) bands (ev): -16.3924 -16.3924 -16.2646 -16.2645 -9.4539 -9.4530 -8.2471 -8.2447 -8.1233 -8.1232 -8.0827 -8.0821 -7.9494 -7.9466 -7.8718 -7.8718 -3.1234 -3.0713 -2.8134 -2.8073 -1.3205 -1.3158 -1.1569 -1.0948 -0.8449 -0.8439 -0.7566 -0.7557 3.1616 3.1739 3.5769 3.5918 3.8199 3.8459 4.1201 4.1275 4.3859 4.3934 4.4595 4.4662 4.7542 4.7597 5.1220 5.1299 5.2388 5.2405 5.7344 5.7387 5.7779 5.7884 5.9497 5.9693 5.9982 6.0265 6.2319 6.2661 7.3150 7.3167 7.3856 7.3890 7.6565 7.6644 7.6662 7.6918 8.1221 8.1255 8.3862 8.3915 8.4575 8.4578 8.7421 8.7490 8.7846 8.7858 9.0806 9.0825 10.4119 10.4150 10.4777 10.4778 10.5928 10.6027 11.0832 11.0856 15.0463 15.0507 15.4113 15.4550 15.7762 15.7832 15.9511 15.9729 k = 0.3182 0.1837-0.0000 ( 4844 PWs) bands (ev): -16.3886 -16.3886 -16.2672 -16.2672 -9.4614 -9.4605 -8.2462 -8.2438 -8.1268 -8.1267 -8.0821 -8.0814 -7.9553 -7.9525 -7.8711 -7.8711 -3.1073 -3.0550 -2.8157 -2.8076 -1.3042 -1.2985 -1.1253 -1.0625 -0.8518 -0.8497 -0.7542 -0.7503 3.1816 3.1932 3.5592 3.5728 3.7968 3.8198 4.1086 4.1153 4.3819 4.3895 4.4618 4.4682 4.7522 4.7586 5.1202 5.1283 5.2318 5.2355 5.7372 5.7394 5.7733 5.7820 5.9462 5.9643 6.0024 6.0301 6.2478 6.2806 7.2947 7.2966 7.3770 7.3815 7.6241 7.6488 7.6663 7.6728 8.1197 8.1230 8.3684 8.3738 8.4546 8.4547 8.7271 8.7368 8.7772 8.7790 9.0776 9.0794 10.4143 10.4189 10.4832 10.4839 10.5607 10.5711 11.0816 11.0839 15.0527 15.0569 15.4508 15.4956 15.8057 15.8110 15.9826 16.0074 k = 0.3333 0.1925-0.0000 ( 4836 PWs) bands (ev): -16.3848 -16.3848 -16.2699 -16.2699 -9.4686 -9.4678 -8.2452 -8.2428 -8.1301 -8.1301 -8.0812 -8.0804 -7.9612 -7.9585 -7.8705 -7.8704 -3.0913 -3.0391 -2.8185 -2.8084 -1.2877 -1.2814 -1.0944 -1.0307 -0.8591 -0.8555 -0.7524 -0.7454 3.2008 3.2117 3.5424 3.5546 3.7749 3.7951 4.0977 4.1037 4.3778 4.3853 4.4641 4.4701 4.7497 4.7568 5.1186 5.1268 5.2241 5.2293 5.7404 5.7409 5.7703 5.7765 5.9424 5.9591 6.0067 6.0334 6.2642 6.2955 7.2757 7.2775 7.3681 7.3740 7.5877 7.6106 7.6720 7.6776 8.1180 8.1214 8.3506 8.3561 8.4517 8.4517 8.7106 8.7212 8.7733 8.7761 9.0747 9.0764 10.4160 10.4227 10.4874 10.4898 10.5311 10.5416 11.0802 11.0824 15.0589 15.0628 15.4908 15.5362 15.8337 15.8373 16.0116 16.0388 k = 0.3485 0.2012-0.0000 ( 4836 PWs) bands (ev): -16.3810 -16.3810 -16.2727 -16.2727 -9.4754 -9.4746 -8.2442 -8.2419 -8.1332 -8.1332 -8.0802 -8.0792 -7.9671 -7.9644 -7.8699 -7.8699 -3.0754 -3.0239 -2.8216 -2.8095 -1.2713 -1.2645 -1.0643 -0.9998 -0.8667 -0.8614 -0.7514 -0.7413 3.2191 3.2290 3.5265 3.5375 3.7544 3.7718 4.0873 4.0926 4.3736 4.3808 4.4664 4.4720 4.7469 4.7544 5.1172 5.1254 5.2160 5.2222 5.7408 5.7448 5.7694 5.7722 5.9385 5.9538 6.0109 6.0363 6.2809 6.3106 7.2579 7.2597 7.3588 7.3663 7.5533 7.5733 7.6780 7.6832 8.1172 8.1205 8.3331 8.3386 8.4489 8.4489 8.6943 8.7048 8.7715 8.7745 9.0719 9.0735 10.4165 10.4263 10.4855 10.4955 10.5091 10.5148 11.0789 11.0810 15.0648 15.0684 15.5308 15.5765 15.8600 15.8623 16.0381 16.0670 k = 0.3636 0.2099-0.0000 ( 4840 PWs) bands (ev): -16.3773 -16.3773 -16.2755 -16.2754 -9.4817 -9.4810 -8.2432 -8.2409 -8.1362 -8.1361 -8.0789 -8.0779 -7.9728 -7.9703 -7.8694 -7.8694 -3.0599 -3.0094 -2.8251 -2.8111 -1.2552 -1.2481 -1.0356 -0.9702 -0.8744 -0.8669 -0.7512 -0.7380 3.2361 3.2450 3.5117 3.5214 3.7354 3.7503 4.0776 4.0822 4.3693 4.3763 4.4686 4.4737 4.7439 4.7516 5.1159 5.1241 5.2078 5.2144 5.7400 5.7474 5.7703 5.7710 5.9345 5.9484 6.0150 6.0388 6.2979 6.3258 7.2415 7.2432 7.3487 7.3581 7.5217 7.5383 7.6840 7.6888 8.1171 8.1205 8.3158 8.3214 8.4461 8.4463 8.6790 8.6888 8.7707 8.7735 9.0693 9.0707 10.4150 10.4296 10.4669 10.4918 10.5009 10.5056 11.0777 11.0796 15.0704 15.0737 15.5704 15.6159 15.8847 15.8858 16.0618 16.0917 k = 0.3788 0.2187-0.0000 ( 4840 PWs) bands (ev): -16.3737 -16.3737 -16.2782 -16.2782 -9.4876 -9.4869 -8.2421 -8.2400 -8.1388 -8.1388 -8.0776 -8.0764 -7.9784 -7.9759 -7.8690 -7.8689 -3.0448 -2.9958 -2.8289 -2.8133 -1.2395 -1.2323 -1.0088 -0.9425 -0.8817 -0.8718 -0.7521 -0.7357 3.2517 3.2595 3.4981 3.5067 3.7183 3.7308 4.0686 4.0727 4.3652 4.3717 4.4707 4.4753 4.7409 4.7485 5.1148 5.1230 5.1998 5.2064 5.7382 5.7474 5.7718 5.7745 5.9305 5.9430 6.0190 6.0408 6.3149 6.3407 7.2266 7.2283 7.3376 7.3491 7.4937 7.5064 7.6898 7.6941 8.1178 8.1213 8.2992 8.3048 8.4435 8.4437 8.6649 8.6740 8.7703 8.7729 9.0668 9.0681 10.4104 10.4325 10.4440 10.4740 10.5058 10.5086 11.0766 11.0784 15.0756 15.0786 15.6094 15.6540 15.9077 15.9077 16.0829 16.1130 k = 0.3939 0.2274-0.0000 ( 4842 PWs) bands (ev): -16.3703 -16.3703 -16.2809 -16.2808 -9.4928 -9.4922 -8.2411 -8.2391 -8.1412 -8.1412 -8.0762 -8.0750 -7.9837 -7.9814 -7.8686 -7.8686 -3.0301 -2.9834 -2.8329 -2.8159 -1.2244 -1.2173 -0.9847 -0.9191 -0.8861 -0.8752 -0.7541 -0.7346 3.2656 3.2723 3.4859 3.4933 3.7032 3.7134 4.0605 4.0640 4.3612 4.3672 4.4727 4.4768 4.7380 4.7451 5.1139 5.1219 5.1923 5.1984 5.7361 5.7452 5.7759 5.7791 5.9268 5.9378 6.0228 6.0424 6.3316 6.3551 7.2134 7.2149 7.3252 7.3387 7.4699 7.4787 7.6953 7.6992 8.1193 8.1229 8.2832 8.2888 8.4412 8.4415 8.6524 8.6605 8.7702 8.7724 9.0645 9.0657 10.4016 10.4210 10.4364 10.4624 10.5104 10.5123 11.0757 11.0773 15.0804 15.0831 15.6470 15.6899 15.9279 15.9288 16.1013 16.1310 k = 0.4091 0.2362-0.0000 ( 4842 PWs) bands (ev): -16.3670 -16.3670 -16.2834 -16.2834 -9.4975 -9.4969 -8.2400 -8.2382 -8.1433 -8.1433 -8.0747 -8.0735 -7.9886 -7.9864 -7.8683 -7.8682 -3.0161 -2.9723 -2.8368 -2.8190 -1.2101 -1.2034 -0.9646 -0.9099 -0.8778 -0.8760 -0.7573 -0.7348 3.2777 3.2833 3.4751 3.4814 3.6901 3.6984 4.0534 4.0564 4.3576 4.3630 4.4745 4.4780 4.7352 4.7418 5.1133 5.1209 5.1854 5.1908 5.7339 5.7422 5.7811 5.7840 5.9234 5.9329 6.0264 6.0436 6.3476 6.3686 7.2019 7.2033 7.3118 7.3266 7.4507 7.4558 7.7004 7.7039 8.1215 8.1251 8.2682 8.2736 8.4392 8.4395 8.6414 8.6486 8.7702 8.7721 9.0625 9.0634 10.3898 10.4016 10.4389 10.4562 10.5144 10.5158 11.0750 11.0764 15.0847 15.0870 15.6827 15.7230 15.9463 15.9478 16.1174 16.1457 k = 0.4242 0.2449-0.0000 ( 4840 PWs) bands (ev): -16.3641 -16.3641 -16.2858 -16.2857 -9.5015 -9.5010 -8.2391 -8.2375 -8.1451 -8.1450 -8.0732 -8.0721 -7.9930 -7.9911 -7.8680 -7.8680 -3.0027 -2.9629 -2.8404 -2.8225 -1.1970 -1.1908 -0.9501 -0.9137 -0.8724 -0.8581 -0.7620 -0.7365 3.2879 3.2924 3.4658 3.4710 3.6793 3.6857 4.0473 4.0497 4.3544 4.3590 4.4761 4.4791 4.7328 4.7386 5.1129 5.1200 5.1794 5.1839 5.7320 5.7392 5.7863 5.7887 5.9204 5.9285 6.0297 6.0444 6.3626 6.3808 7.1922 7.1933 7.2981 7.3131 7.4358 7.4381 7.7050 7.7079 8.1244 8.1279 8.2544 8.2595 8.4373 8.4376 8.6321 8.6382 8.7702 8.7718 9.0607 9.0615 10.3772 10.3846 10.4413 10.4532 10.5179 10.5190 11.0744 11.0756 15.0884 15.0904 15.7159 15.7525 15.9625 15.9645 16.1312 16.1573 k = 0.4394 0.2537-0.0000 ( 4846 PWs) bands (ev): -16.3615 -16.3615 -16.2879 -16.2879 -9.5048 -9.5044 -8.2382 -8.2369 -8.1466 -8.1465 -8.0718 -8.0708 -7.9968 -7.9952 -7.8678 -7.8678 -2.9903 -2.9556 -2.8433 -2.8264 -1.1853 -1.1800 -0.9420 -0.9199 -0.8636 -0.8374 -0.7680 -0.7398 3.2962 3.2996 3.4581 3.4623 3.6706 3.6754 4.0422 4.0442 4.3517 4.3556 4.4776 4.4799 4.7307 4.7356 5.1129 5.1191 5.1744 5.1778 5.7304 5.7363 5.7911 5.7930 5.9180 5.9245 6.0328 6.0447 6.3761 6.3912 7.1841 7.1851 7.2852 7.2990 7.4248 7.4253 7.7090 7.7114 8.1277 8.1311 8.2420 8.2467 8.4358 8.4361 8.6246 8.6296 8.7703 8.7716 9.0592 9.0599 10.3656 10.3704 10.4434 10.4518 10.5209 10.5217 11.0739 11.0749 15.0916 15.0932 15.7457 15.7772 15.9764 15.9786 16.1430 16.1658 k = 0.4545 0.2624-0.0000 ( 4856 PWs) bands (ev): -16.3593 -16.3593 -16.2896 -16.2896 -9.5074 -9.5071 -8.2374 -8.2364 -8.1478 -8.1477 -8.0706 -8.0697 -7.9999 -7.9986 -7.8676 -7.8676 -2.9789 -2.9508 -2.8451 -2.8305 -1.1754 -1.1711 -0.9389 -0.9258 -0.8508 -0.8181 -0.7756 -0.7448 3.3026 3.3051 3.4522 3.4553 3.6641 3.6675 4.0383 4.0397 4.3496 4.3526 4.4787 4.4805 4.7292 4.7330 5.1131 5.1181 5.1704 5.1728 5.7294 5.7338 5.7950 5.7964 5.9162 5.9210 6.0355 6.0446 6.3877 6.3994 7.1779 7.1787 7.2742 7.2856 7.4166 7.4169 7.7122 7.7141 8.1313 8.1343 8.2316 8.2356 8.4345 8.4348 8.6189 8.6227 8.7704 8.7714 9.0581 9.0586 10.3561 10.3591 10.4452 10.4510 10.5232 10.5238 11.0735 11.0743 15.0942 15.0954 15.7713 15.7965 15.9877 15.9898 16.1530 16.1715 k = 0.4697 0.2712-0.0000 ( 4844 PWs) bands (ev): -16.3577 -16.3577 -16.2910 -16.2910 -9.5092 -9.5091 -8.2368 -8.2361 -8.1486 -8.1485 -8.0695 -8.0689 -8.0021 -8.0012 -7.8675 -7.8675 -2.9689 -2.9489 -2.8456 -2.8347 -1.1677 -1.1647 -0.9382 -0.9308 -0.8363 -0.8011 -0.7844 -0.7517 3.3072 3.3088 3.4480 3.4502 3.6597 3.6618 4.0355 4.0365 4.3483 4.3503 4.4797 4.4809 4.7283 4.7309 5.1136 5.1172 5.1676 5.1691 5.7288 5.7318 5.7981 5.7990 5.9151 5.9184 6.0379 6.0440 6.3970 6.4050 7.1735 7.1741 7.2662 7.2743 7.4112 7.4117 7.7147 7.7160 8.1348 8.1372 8.2236 8.2266 8.4337 8.4339 8.6150 8.6175 8.7706 8.7712 9.0573 9.0576 10.3491 10.3509 10.4468 10.4504 10.5249 10.5253 11.0733 11.0738 15.0961 15.0969 15.7918 15.8094 15.9962 15.9979 16.1612 16.1743 k = 0.4848 0.2799-0.0000 ( 4860 PWs) bands (ev): -16.3567 -16.3567 -16.2918 -16.2918 -9.5103 -9.5103 -8.2364 -8.2360 -8.1491 -8.1491 -8.0688 -8.0684 -8.0034 -8.0029 -7.8674 -7.8674 -2.9604 -2.9501 -2.8445 -2.8387 -1.1626 -1.1611 -0.9378 -0.9345 -0.8219 -0.7967 -0.7842 -0.7607 3.3101 3.3108 3.4457 3.4468 3.6572 3.6583 4.0340 4.0344 4.3476 4.3486 4.4804 4.4810 4.7279 4.7292 5.1143 5.1161 5.1660 5.1667 5.7288 5.7303 5.8000 5.8005 5.9147 5.9164 6.0400 6.0431 6.4036 6.4076 7.1709 7.1712 7.2620 7.2662 7.4082 7.4086 7.7164 7.7170 8.1376 8.1389 8.2187 8.2204 8.4332 8.4333 8.6129 8.6141 8.7707 8.7711 9.0568 9.0569 10.3450 10.3458 10.4480 10.4498 10.5260 10.5261 11.0732 11.0735 15.0973 15.0977 15.8064 15.8155 16.0016 16.0026 16.1677 16.1744 k = 0.5000 0.2887-0.0000 ( 4864 PWs) bands (ev): -16.3563 -16.3563 -16.2921 -16.2921 -9.5107 -9.5107 -8.2361 -8.2361 -8.1492 -8.1492 -8.0684 -8.0684 -8.0037 -8.0037 -7.8674 -7.8674 -2.9540 -2.9540 -2.8421 -2.8421 -1.1604 -1.1604 -0.9368 -0.9368 -0.8084 -0.8084 -0.7716 -0.7716 3.3112 3.3112 3.4453 3.4453 3.6567 3.6567 4.0336 4.0336 4.3477 4.3477 4.4808 4.4808 4.7283 4.7283 5.1152 5.1152 5.1656 5.1656 5.7292 5.7292 5.8008 5.8008 5.9151 5.9151 6.0417 6.0417 6.4072 6.4072 7.1702 7.1702 7.2620 7.2620 7.4074 7.4074 7.7171 7.7171 8.1391 8.1391 8.2176 8.2176 8.4331 8.4331 8.6126 8.6126 8.7709 8.7709 9.0567 9.0567 10.3438 10.3438 10.4490 10.4490 10.5264 10.5264 11.0733 11.0733 15.0979 15.0979 15.8145 15.8145 16.0038 16.0038 16.1721 16.1721 k = 0.5000 0.2887-0.0000 ( 4864 PWs) bands (ev): -16.3563 -16.3563 -16.2921 -16.2921 -9.5107 -9.5107 -8.2361 -8.2361 -8.1492 -8.1492 -8.0684 -8.0684 -8.0037 -8.0037 -7.8674 -7.8674 -2.9540 -2.9540 -2.8421 -2.8421 -1.1604 -1.1604 -0.9368 -0.9368 -0.8084 -0.8084 -0.7716 -0.7716 3.3112 3.3112 3.4453 3.4453 3.6567 3.6567 4.0336 4.0336 4.3477 4.3477 4.4808 4.4808 4.7283 4.7283 5.1152 5.1152 5.1656 5.1656 5.7292 5.7292 5.8008 5.8008 5.9151 5.9151 6.0417 6.0417 6.4072 6.4072 7.1702 7.1702 7.2620 7.2620 7.4074 7.4074 7.7171 7.7171 8.1391 8.1391 8.2176 8.2176 8.4331 8.4331 8.6126 8.6126 8.7709 8.7709 9.0567 9.0567 10.3438 10.3438 10.4490 10.4490 10.5264 10.5264 11.0733 11.0733 15.0979 15.0979 15.8145 15.8145 16.0038 16.0038 16.1721 16.1721 k = 0.4912 0.3039-0.0000 ( 4856 PWs) bands (ev): -16.3562 -16.3562 -16.2922 -16.2922 -9.5108 -9.5108 -8.2360 -8.2358 -8.1501 -8.1494 -8.0688 -8.0688 -8.0032 -8.0027 -7.8675 -7.8674 -2.9555 -2.9521 -2.8436 -2.8405 -1.1629 -1.1569 -0.9411 -0.9324 -0.8114 -0.8052 -0.7718 -0.7713 3.3114 3.3122 3.4445 3.4452 3.6566 3.6567 4.0299 4.0329 4.3487 4.3496 4.4807 4.4810 4.7285 4.7286 5.1026 5.1150 5.1657 5.1797 5.7277 5.7314 5.7994 5.8017 5.9144 5.9154 6.0408 6.0418 6.4071 6.4072 7.1697 7.1714 7.2622 7.2632 7.4071 7.4089 7.7150 7.7161 8.1346 8.1394 8.2174 8.2181 8.4328 8.4333 8.6123 8.6142 8.7707 8.7711 9.0552 9.0557 10.3422 10.3463 10.4486 10.4496 10.5263 10.5278 11.0717 11.0719 15.0953 15.0973 15.8169 15.8179 16.0057 16.0057 16.1740 16.1744 k = 0.4825 0.3191-0.0000 ( 4846 PWs) bands (ev): -16.3559 -16.3559 -16.2925 -16.2925 -9.5112 -9.5111 -8.2355 -8.2351 -8.1519 -8.1505 -8.0701 -8.0701 -8.0012 -8.0003 -7.8678 -7.8677 -2.9564 -2.9496 -2.8449 -2.8389 -1.1643 -1.1525 -0.9452 -0.9280 -0.8140 -0.8017 -0.7718 -0.7708 3.3126 3.3143 3.4428 3.4442 3.6563 3.6564 4.0218 4.0276 4.3523 4.3540 4.4808 4.4814 4.7293 4.7295 5.0862 5.1020 5.1798 5.1988 5.7269 5.7341 5.7974 5.8020 5.9132 5.9152 6.0392 6.0411 6.4071 6.4072 7.1701 7.1735 7.2639 7.2659 7.4077 7.4113 7.7096 7.7118 8.1258 8.1352 8.2174 8.2187 8.4325 8.4336 8.6134 8.6171 8.7707 8.7714 9.0514 9.0525 10.3415 10.3495 10.4485 10.4505 10.5274 10.5305 11.0670 11.0675 15.0898 15.0938 15.8251 15.8268 16.0113 16.0114 16.1800 16.1809 k = 0.4737 0.3343-0.0000 ( 4838 PWs) bands (ev): -16.3554 -16.3554 -16.2929 -16.2929 -9.5119 -9.5117 -8.2347 -8.2340 -8.1545 -8.1525 -8.0722 -8.0722 -7.9979 -7.9967 -7.8684 -7.8682 -2.9569 -2.9468 -2.8462 -2.8372 -1.1647 -1.1472 -0.9491 -0.9237 -0.8163 -0.7981 -0.7716 -0.7702 3.3149 3.3175 3.4402 3.4422 3.6558 3.6560 4.0099 4.0183 4.3581 4.3605 4.4809 4.4819 4.7306 4.7309 5.0692 5.0850 5.1990 5.2195 5.7268 5.7374 5.7949 5.8018 5.9115 5.9145 6.0367 6.0396 6.4070 6.4071 7.1713 7.1763 7.2671 7.2701 7.4095 7.4149 7.7010 7.7044 8.1129 8.1268 8.2177 8.2195 8.4322 8.4338 8.6159 8.6211 8.7707 8.7716 9.0453 9.0468 10.3416 10.3535 10.4487 10.4515 10.5299 10.5346 11.0594 11.0601 15.0819 15.0875 15.8388 15.8408 16.0206 16.0207 16.1897 16.1913 k = 0.4649 0.3494-0.0000 ( 4832 PWs) bands (ev): -16.3546 -16.3546 -16.2935 -16.2935 -9.5127 -9.5125 -8.2334 -8.2325 -8.1578 -8.1552 -8.0752 -8.0751 -7.9935 -7.9921 -7.8691 -7.8689 -2.9568 -2.9435 -2.8475 -2.8355 -1.1640 -1.1410 -0.9529 -0.9195 -0.8183 -0.7946 -0.7710 -0.7693 3.3183 3.3217 3.4368 3.4394 3.6551 3.6554 3.9948 4.0055 4.3657 4.3685 4.4812 4.4825 4.7326 4.7329 5.0526 5.0673 5.2201 5.2409 5.7277 5.7413 5.7920 5.8011 5.9093 5.9132 6.0335 6.0373 6.4070 6.4071 7.1733 7.1798 7.2715 7.2755 7.4124 7.4196 7.6895 7.6941 8.0963 8.1141 8.2181 8.2204 8.4318 8.4339 8.6196 8.6263 8.7707 8.7720 9.0369 9.0390 10.3426 10.3580 10.4491 10.4525 10.5337 10.5399 11.0489 11.0498 15.0719 15.0788 15.8575 15.8593 16.0335 16.0335 16.2029 16.2054 k = 0.4561 0.3646-0.0000 ( 4838 PWs) bands (ev): -16.3537 -16.3537 -16.2943 -16.2943 -9.5138 -9.5136 -8.2318 -8.2307 -8.1614 -8.1583 -8.0789 -8.0788 -7.9882 -7.9866 -7.8701 -7.8698 -2.9561 -2.9398 -2.8488 -2.8337 -1.1622 -1.1341 -0.9567 -0.9157 -0.8199 -0.7913 -0.7701 -0.7680 3.3227 3.3268 3.4327 3.4358 3.6543 3.6547 3.9771 3.9897 4.3742 4.3774 4.4816 4.4832 4.7350 4.7354 5.0364 5.0497 5.2420 5.2624 5.7296 5.7456 5.7888 5.8000 5.9065 5.9113 6.0295 6.0343 6.4070 6.4071 7.1761 7.1840 7.2772 7.2821 7.4165 7.4254 7.6753 7.6811 8.0762 8.0975 8.2187 8.2215 8.4312 8.4339 8.6246 8.6325 8.7708 8.7723 9.0265 9.0291 10.3443 10.3631 10.4498 10.4535 10.5388 10.5465 11.0358 11.0368 15.0604 15.0683 15.8806 15.8814 16.0494 16.0496 16.2191 16.2229 k = 0.4474 0.3798-0.0000 ( 4838 PWs) bands (ev): -16.3526 -16.3525 -16.2952 -16.2952 -9.5150 -9.5148 -8.2298 -8.2285 -8.1652 -8.1618 -8.0833 -8.0832 -7.9822 -7.9806 -7.8712 -7.8710 -2.9550 -2.9358 -2.8500 -2.8319 -1.1594 -1.1266 -0.9603 -0.9123 -0.8211 -0.7886 -0.7686 -0.7661 3.3280 3.3328 3.4281 3.4316 3.6535 3.6540 3.9574 3.9716 4.3833 4.3868 4.4822 4.4841 4.7381 4.7385 5.0208 5.0325 5.2643 5.2839 5.7326 5.7505 5.7855 5.7986 5.9031 5.9088 6.0248 6.0305 6.4070 6.4072 7.1797 7.1887 7.2838 7.2897 7.4219 7.4326 7.6586 7.6658 8.0529 8.0773 8.2195 8.2226 8.4308 8.4339 8.6306 8.6396 8.7710 8.7726 9.0143 9.0173 10.3469 10.3685 10.4507 10.4545 10.5452 10.5544 11.0202 11.0212 15.0480 15.0565 15.9064 15.9073 16.0682 16.0688 16.2377 16.2431 k = 0.4386 0.3950-0.0000 ( 4838 PWs) bands (ev): -16.3512 -16.3512 -16.2963 -16.2963 -9.5165 -9.5162 -8.2274 -8.2259 -8.1690 -8.1653 -8.0883 -8.0883 -7.9758 -7.9741 -7.8726 -7.8724 -2.9533 -2.9314 -2.8514 -2.8302 -1.1554 -1.1185 -0.9639 -0.9096 -0.8220 -0.7866 -0.7666 -0.7634 3.3343 3.3396 3.4229 3.4268 3.6526 3.6534 3.9363 3.9518 4.3923 4.3960 4.4829 4.4851 4.7417 4.7421 5.0057 5.0157 5.2865 5.3050 5.7369 5.7556 5.7826 5.7971 5.8990 5.9056 6.0194 6.0259 6.4070 6.4075 7.1839 7.1940 7.2913 7.2981 7.4289 7.4413 7.6397 7.6483 8.0268 8.0538 8.2203 8.2237 8.4303 8.4338 8.6377 8.6474 8.7711 8.7729 9.0004 9.0039 10.3501 10.3743 10.4517 10.4554 10.5530 10.5635 11.0025 11.0035 15.0352 15.0439 15.9338 15.9370 16.0894 16.0906 16.2582 16.2656 k = 0.4298 0.4102-0.0000 ( 4836 PWs) bands (ev): -16.3497 -16.3497 -16.2976 -16.2976 -9.5180 -9.5177 -8.2248 -8.2230 -8.1727 -8.1688 -8.0940 -8.0939 -7.9690 -7.9674 -7.8743 -7.8740 -2.9511 -2.9269 -2.8528 -2.8287 -1.1504 -1.1099 -0.9677 -0.9076 -0.8224 -0.7854 -0.7639 -0.7598 3.3413 3.3471 3.4175 3.4215 3.6519 3.6529 3.9141 3.9307 4.4010 4.4049 4.4838 4.4863 4.7458 4.7463 4.9912 4.9995 5.3085 5.3254 5.7425 5.7605 5.7807 5.7956 5.8943 5.9016 6.0133 6.0205 6.4071 6.4079 7.1887 7.1997 7.2995 7.3072 7.4374 7.4514 7.6190 7.6291 7.9984 8.0274 8.2213 8.2248 8.4297 8.4336 8.6457 8.6560 8.7713 8.7732 8.9852 8.9892 10.3539 10.3802 10.4527 10.4561 10.5622 10.5738 10.9828 10.9836 15.0225 15.0312 15.9628 15.9690 16.1127 16.1147 16.2800 16.2898 k = 0.4211 0.4254-0.0000 ( 4834 PWs) bands (ev): -16.3480 -16.3480 -16.2991 -16.2991 -9.5196 -9.5193 -8.2217 -8.2197 -8.1761 -8.1720 -8.1001 -8.1001 -7.9621 -7.9606 -7.8762 -7.8759 -2.9484 -2.9221 -2.8544 -2.8272 -1.1443 -1.1011 -0.9715 -0.9066 -0.8224 -0.7850 -0.7606 -0.7557 3.3489 3.3550 3.4118 3.4159 3.6513 3.6528 3.8914 3.9088 4.4091 4.4131 4.4849 4.4875 4.7505 4.7510 4.9772 4.9838 5.3299 5.3448 5.7497 5.7637 5.7815 5.7943 5.8889 5.8970 6.0064 6.0143 6.4074 6.4085 7.1940 7.2057 7.3081 7.3167 7.4476 7.4633 7.5970 7.6086 7.9678 7.9985 8.2223 8.2259 8.4292 8.4333 8.6545 8.6652 8.7715 8.7734 8.9690 8.9733 10.3582 10.3862 10.4537 10.4567 10.5727 10.5851 10.9616 10.9621 15.0101 15.0185 15.9929 16.0026 16.1376 16.1407 16.3024 16.3149 k = 0.4123 0.4406-0.0000 ( 4838 PWs) bands (ev): -16.3461 -16.3461 -16.3007 -16.3007 -9.5213 -9.5210 -8.2184 -8.2162 -8.1791 -8.1750 -8.1068 -8.1067 -7.9553 -7.9538 -7.8783 -7.8780 -2.9452 -2.9172 -2.8562 -2.8260 -1.1373 -1.0920 -0.9756 -0.9065 -0.8221 -0.7851 -0.7567 -0.7512 3.3571 3.3632 3.4063 3.4102 3.6511 3.6530 3.8684 3.8865 4.4163 4.4205 4.4861 4.4888 4.7557 4.7561 4.9634 4.9686 5.3504 5.3631 5.7584 5.7643 5.7862 5.7933 5.8827 5.8916 5.9988 6.0072 6.4078 6.4092 7.1998 7.2119 7.3169 7.3264 7.4596 7.4768 7.5741 7.5872 7.9357 7.9674 8.2233 8.2269 8.4287 8.4329 8.6639 8.6750 8.7717 8.7736 8.9520 8.9565 10.3629 10.3922 10.4546 10.4570 10.5844 10.5973 10.9392 10.9393 14.9984 15.0064 16.0237 16.0374 16.1635 16.1681 16.3249 16.3406 k = 0.4035 0.4558-0.0000 ( 4840 PWs) bands (ev): -16.3440 -16.3440 -16.3025 -16.3025 -9.5230 -9.5227 -8.2149 -8.2123 -8.1816 -8.1775 -8.1138 -8.1137 -7.9485 -7.9472 -7.8806 -7.8804 -2.9417 -2.9122 -2.8582 -2.8250 -1.1292 -1.0830 -0.9800 -0.9074 -0.8213 -0.7857 -0.7522 -0.7465 3.3655 3.3713 3.4011 3.4045 3.6514 3.6539 3.8455 3.8640 4.4226 4.4269 4.4875 4.4902 4.7614 4.7618 4.9501 4.9538 5.3695 5.3800 5.7637 5.7686 5.7930 5.7938 5.8760 5.8857 5.9903 5.9991 6.4084 6.4102 7.2060 7.2182 7.3260 7.3362 7.4732 7.4920 7.5507 7.5654 7.9024 7.9347 8.2243 8.2278 8.4282 8.4324 8.6739 8.6853 8.7718 8.7736 8.9345 8.9393 10.3678 10.3981 10.4552 10.4571 10.5973 10.6105 10.9153 10.9159 14.9877 14.9951 16.0547 16.0729 16.1899 16.1964 16.3471 16.3661 k = 0.3947 0.4710-0.0000 ( 4840 PWs) bands (ev): -16.3418 -16.3418 -16.3045 -16.3044 -9.5246 -9.5244 -8.2110 -8.2082 -8.1836 -8.1795 -8.1211 -8.1210 -7.9419 -7.9408 -7.8831 -7.8829 -2.9377 -2.9072 -2.8606 -2.8242 -1.1203 -1.0741 -0.9849 -0.9092 -0.8201 -0.7867 -0.7475 -0.7418 3.3739 3.3785 3.3968 3.3991 3.6523 3.6555 3.8229 3.8416 4.4279 4.4322 4.4890 4.4915 4.7676 4.7679 4.9371 4.9396 5.3871 5.3952 5.7632 5.7802 5.7934 5.8030 5.8688 5.8792 5.9810 5.9899 6.4093 6.4114 7.2123 7.2245 7.3351 7.3461 7.4880 7.5081 7.5280 7.5442 7.8685 7.9008 8.2252 8.2284 8.4277 8.4318 8.6844 8.6959 8.7720 8.7736 8.9169 8.9217 10.3729 10.4039 10.4556 10.4569 10.6113 10.6244 10.8908 10.8921 14.9781 14.9848 16.0855 16.1087 16.2160 16.2250 16.3685 16.3909 k = 0.3860 0.4862-0.0000 ( 4826 PWs) bands (ev): -16.3395 -16.3394 -16.3066 -16.3066 -9.5262 -9.5260 -8.2071 -8.2039 -8.1850 -8.1811 -8.1286 -8.1285 -7.9356 -7.9346 -7.8859 -7.8857 -2.9334 -2.9023 -2.8633 -2.8238 -1.1106 -1.0657 -0.9902 -0.9117 -0.8186 -0.7879 -0.7426 -0.7374 3.3816 3.3827 3.3946 3.3958 3.6541 3.6581 3.8010 3.8198 4.4323 4.4366 4.4906 4.4929 4.7742 4.7745 4.9244 4.9259 5.4027 5.4086 5.7636 5.7927 5.7952 5.8133 5.8612 5.8723 5.9708 5.9796 6.4104 6.4127 7.2187 7.2305 7.3443 7.3559 7.4962 7.5140 7.5153 7.5340 7.8343 7.8662 8.2260 8.2290 8.4273 8.4311 8.6952 8.7069 8.7721 8.7736 8.8996 8.9043 10.3780 10.4096 10.4556 10.4564 10.6263 10.6390 10.8659 10.8682 14.9698 14.9757 16.1159 16.1442 16.2410 16.2532 16.3890 16.4144 k = 0.3772 0.5014-0.0000 ( 4832 PWs) bands (ev): -16.3369 -16.3369 -16.3089 -16.3088 -9.5277 -9.5275 -8.2030 -8.1994 -8.1856 -8.1820 -8.1362 -8.1362 -7.9297 -7.9289 -7.8889 -7.8887 -2.9289 -2.8975 -2.8663 -2.8236 -1.1000 -1.0580 -0.9961 -0.9146 -0.8166 -0.7894 -0.7378 -0.7334 3.3816 3.3850 3.3942 3.3997 3.6570 3.6619 3.7798 3.7986 4.4358 4.4400 4.4921 4.4941 4.7812 4.7813 4.9122 4.9129 5.4160 5.4199 5.7652 5.7968 5.8077 5.8243 5.8535 5.8651 5.9597 5.9680 6.4118 6.4141 7.2250 7.2361 7.3534 7.3656 7.4789 7.4977 7.5279 7.5509 7.8005 7.8313 8.2267 8.2293 8.4270 8.4305 8.7061 8.7180 8.7721 8.7733 8.8828 8.8872 10.3829 10.4149 10.4553 10.4556 10.6420 10.6542 10.8411 10.8445 14.9628 14.9678 16.1453 16.1790 16.2639 16.2803 16.4083 16.4350 k = 0.3684 0.5166-0.0000 ( 4828 PWs) bands (ev): -16.3343 -16.3343 -16.3113 -16.3113 -9.5290 -9.5288 -8.1990 -8.1947 -8.1855 -8.1823 -8.1439 -8.1438 -7.9241 -7.9235 -7.8920 -7.8919 -2.9242 -2.8931 -2.8697 -2.8237 -1.0889 -1.0513 -1.0026 -0.9179 -0.8142 -0.7912 -0.7333 -0.7300 3.3788 3.3824 3.3997 3.4051 3.6612 3.6671 3.7598 3.7785 4.4385 4.4425 4.4936 4.4952 4.7883 4.7883 4.9005 4.9008 5.4268 5.4290 5.7681 5.8003 5.8228 5.8349 5.8469 5.8579 5.9476 5.9552 6.4132 6.4155 7.2310 7.2409 7.3627 7.3751 7.4587 7.4782 7.5473 7.5722 7.7676 7.7967 8.2273 8.2294 8.4268 8.4297 8.7168 8.7290 8.7721 8.7730 8.8672 8.8710 10.3875 10.4199 10.4545 10.4546 10.6585 10.6699 10.8168 10.8216 14.9573 14.9613 16.1732 16.2126 16.2834 16.3050 16.4264 16.4487 k = 0.3596 0.5318-0.0000 ( 4836 PWs) bands (ev): -16.3315 -16.3315 -16.3139 -16.3139 -9.5300 -9.5299 -8.1954 -8.1902 -8.1844 -8.1819 -8.1515 -8.1514 -7.9190 -7.9185 -7.8952 -7.8952 -2.9195 -2.8891 -2.8734 -2.8240 -1.0771 -1.0461 -1.0099 -0.9210 -0.8114 -0.7932 -0.7294 -0.7272 3.3762 3.3790 3.4056 3.4099 3.6669 3.6738 3.7410 3.7597 4.4404 4.4443 4.4948 4.4960 4.7951 4.7953 4.8898 4.8899 5.4350 5.4360 5.7720 5.8049 5.8353 5.8376 5.8514 5.8518 5.9348 5.9412 6.4147 6.4168 7.2365 7.2447 7.3720 7.3844 7.4401 7.4600 7.5680 7.5952 7.7364 7.7628 8.2277 8.2293 8.4267 8.4290 8.7269 8.7394 8.7720 8.7725 8.8533 8.8563 10.3914 10.4243 10.4533 10.4535 10.6756 10.6857 10.7932 10.7998 14.9532 14.9562 16.1989 16.2443 16.2981 16.3254 16.4365 16.4432 k = 0.3509 0.5470-0.0000 ( 4836 PWs) bands (ev): -16.3287 -16.3286 -16.3167 -16.3166 -9.5308 -9.5307 -8.1925 -8.1861 -8.1821 -8.1806 -8.1588 -8.1585 -7.9143 -7.9140 -7.8985 -7.8985 -2.9151 -2.8858 -2.8771 -2.8244 -1.0650 -1.0428 -1.0178 -0.9236 -0.8083 -0.7955 -0.7264 -0.7252 3.3742 3.3762 3.4104 3.4134 3.6744 3.6818 3.7239 3.7428 4.4417 4.4454 4.4958 4.4966 4.8012 4.8016 4.8807 4.8808 5.4406 5.4409 5.7766 5.8104 5.8289 5.8405 5.8583 5.8638 5.9212 5.9261 6.4162 6.4178 7.2412 7.2473 7.3813 7.3932 7.4239 7.4441 7.5888 7.6193 7.7080 7.7303 8.2281 8.2291 8.4267 8.4283 8.7355 8.7485 8.7719 8.7720 8.8421 8.8439 10.3945 10.4281 10.4522 10.4522 10.6931 10.7015 10.7708 10.7798 14.9504 14.9525 16.2212 16.2729 16.3066 16.3378 16.4263 16.4435 k = 0.3421 0.5622-0.0000 ( 4828 PWs) bands (ev): -16.3257 -16.3257 -16.3196 -16.3195 -9.5314 -9.5313 -8.1904 -8.1832 -8.1792 -8.1781 -8.1653 -8.1647 -7.9103 -7.9101 -7.9018 -7.9018 -2.9116 -2.8834 -2.8803 -2.8248 -1.0528 -1.0418 -1.0262 -0.9253 -0.8050 -0.7982 -0.7244 -0.7240 3.3731 3.3742 3.4138 3.4153 3.6837 3.6903 3.7084 3.7289 4.4425 4.4461 4.4965 4.4969 4.8058 4.8063 4.8744 4.8745 5.4437 5.4438 5.7808 5.8166 5.8234 5.8345 5.8743 5.8770 5.9074 5.9103 6.4174 6.4183 7.2449 7.2482 7.3907 7.4005 7.4108 7.4318 7.6073 7.6443 7.6851 7.6997 8.2283 8.2288 8.4269 8.4277 8.7416 8.7551 8.7716 8.7718 8.8346 8.8352 10.3965 10.4307 10.4511 10.4513 10.7107 10.7161 10.7501 10.7627 14.9491 14.9501 16.2380 16.2966 16.3089 16.3384 16.4250 16.4368 k = 0.3333 0.5774-0.0000 ( 4818 PWs) bands (ev): -16.3226 -16.3226 -16.3226 -16.3226 -9.5315 -9.5315 -8.1895 -8.1818 -8.1770 -8.1770 -8.1682 -8.1682 -7.9079 -7.9079 -7.9039 -7.9038 -2.9102 -2.8821 -2.8821 -2.8250 -1.0434 -1.0434 -1.0323 -0.9259 -0.8015 -0.8015 -0.7236 -0.7236 3.3731 3.3731 3.4155 3.4155 3.6948 3.6951 3.6951 3.7223 4.4427 4.4463 4.4969 4.4969 4.8075 4.8081 4.8721 4.8721 5.4447 5.4447 5.7826 5.8209 5.8209 5.8305 5.8869 5.8869 5.8972 5.8981 6.4182 6.4182 7.2474 7.2474 7.3979 7.4031 7.4031 7.4267 7.6161 7.6659 7.6755 7.6755 8.2286 8.2286 8.4273 8.4273 8.7438 8.7575 8.7716 8.7716 8.8321 8.8321 10.3972 10.4317 10.4508 10.4508 10.7241 10.7241 10.7354 10.7541 14.9490 14.9490 16.2448 16.3087 16.3087 16.3333 16.4305 16.4305 k = 0.3333 0.5774-0.0000 ( 4818 PWs) bands (ev): -16.3226 -16.3226 -16.3226 -16.3226 -9.5315 -9.5315 -8.1895 -8.1818 -8.1770 -8.1770 -8.1682 -8.1682 -7.9079 -7.9079 -7.9039 -7.9038 -2.9102 -2.8821 -2.8821 -2.8250 -1.0434 -1.0434 -1.0323 -0.9259 -0.8015 -0.8015 -0.7236 -0.7236 3.3731 3.3731 3.4155 3.4155 3.6948 3.6951 3.6951 3.7223 4.4427 4.4463 4.4969 4.4969 4.8075 4.8081 4.8721 4.8721 5.4447 5.4447 5.7826 5.8209 5.8209 5.8305 5.8869 5.8869 5.8972 5.8981 6.4182 6.4182 7.2474 7.2474 7.3979 7.4031 7.4031 7.4267 7.6161 7.6659 7.6755 7.6755 8.2286 8.2286 8.4273 8.4273 8.7438 8.7575 8.7716 8.7716 8.8321 8.8321 10.3972 10.4317 10.4508 10.4508 10.7241 10.7241 10.7354 10.7541 14.9490 14.9490 16.2448 16.3087 16.3087 16.3333 16.4305 16.4305 k = 0.3246 0.5622-0.0000 ( 4820 PWs) bands (ev): -16.3258 -16.3258 -16.3195 -16.3194 -9.5313 -9.5313 -8.1909 -8.1848 -8.1771 -8.1767 -8.1663 -8.1651 -7.9100 -7.9100 -7.9020 -7.9020 -2.9119 -2.8822 -2.8814 -2.8248 -1.0491 -1.0476 -1.0241 -0.9254 -0.8054 -0.7979 -0.7242 -0.7242 3.3731 3.3742 3.4138 3.4153 3.6836 3.6907 3.7082 3.7289 4.4425 4.4462 4.4966 4.4969 4.8058 4.8063 4.8745 4.8745 5.4437 5.4440 5.7805 5.8170 5.8225 5.8350 5.8744 5.8767 5.9074 5.9107 6.4172 6.4184 7.2448 7.2484 7.3931 7.3994 7.4107 7.4306 7.6083 7.6446 7.6860 7.6976 8.2284 8.2289 8.4270 8.4278 8.7419 8.7553 8.7713 8.7720 8.8347 8.8350 10.3965 10.4308 10.4509 10.4515 10.7110 10.7173 10.7491 10.7622 14.9490 14.9501 16.2372 16.2952 16.3112 16.3397 16.4227 16.4356 k = 0.3158 0.5470-0.0000 ( 4836 PWs) bands (ev): -16.3291 -16.3291 -16.3162 -16.3162 -9.5308 -9.5306 -8.1951 -8.1907 -8.1760 -8.1744 -8.1621 -8.1604 -7.9133 -7.9133 -7.8994 -7.8992 -2.9166 -2.8839 -2.8782 -2.8240 -1.0599 -1.0544 -1.0115 -0.9237 -0.8103 -0.7945 -0.7262 -0.7255 3.3743 3.3765 3.4104 3.4133 3.6746 3.6827 3.7231 3.7427 4.4419 4.4457 4.4960 4.4964 4.8013 4.8016 4.8809 4.8810 5.4410 5.4418 5.7750 5.8098 5.8273 5.8422 5.8585 5.8634 5.9215 5.9273 6.4151 6.4177 7.2410 7.2479 7.3894 7.3946 7.4203 7.4383 7.5941 7.6224 7.7070 7.7242 8.2284 8.2293 8.4268 8.4284 8.7373 8.7498 8.7709 8.7722 8.8416 8.8426 10.3947 10.4283 10.4516 10.4530 10.6954 10.7053 10.7672 10.7773 14.9502 14.9522 16.2166 16.2693 16.3159 16.3466 16.4117 16.4302 k = 0.3070 0.5318-0.0000 ( 4840 PWs) bands (ev): -16.3325 -16.3325 -16.3130 -16.3130 -9.5297 -9.5295 -8.2005 -8.1970 -8.1735 -8.1714 -8.1573 -8.1554 -7.9166 -7.9166 -7.8969 -7.8967 -2.9234 -2.8872 -2.8737 -2.8228 -1.0721 -1.0633 -0.9986 -0.9214 -0.8163 -0.7914 -0.7296 -0.7274 3.3766 3.3799 3.4053 3.4096 3.6679 3.6757 3.7398 3.7595 4.4410 4.4449 4.4951 4.4957 4.7952 4.7954 4.8903 4.8905 5.4369 5.4384 5.7673 5.8009 5.8324 5.8409 5.8519 5.8529 5.9357 5.9438 6.4118 6.4160 7.2364 7.2463 7.3882 7.3914 7.4299 7.4468 7.5806 7.6036 7.7314 7.7512 8.2288 8.2301 8.4268 8.4293 8.7317 8.7430 8.7705 8.7722 8.8515 8.8532 10.3920 10.4250 10.4527 10.4547 10.6814 10.6935 10.7857 10.7939 14.9522 14.9553 16.1875 16.2376 16.3192 16.3486 16.3975 16.4116 k = 0.2982 0.5166-0.0000 ( 4844 PWs) bands (ev): -16.3361 -16.3360 -16.3097 -16.3096 -9.5282 -9.5280 -8.2063 -8.2031 -8.1703 -8.1680 -8.1523 -8.1503 -7.9199 -7.9198 -7.8948 -7.8945 -2.9317 -2.8921 -2.8686 -2.8210 -1.0851 -1.0742 -0.9858 -0.9186 -0.8237 -0.7892 -0.7341 -0.7298 3.3798 3.3842 3.3990 3.4044 3.6637 3.6705 3.7579 3.7780 4.4398 4.4440 4.4940 4.4946 4.7884 4.7890 4.9015 4.9019 5.4317 5.4338 5.7584 5.7897 5.8293 5.8317 5.8479 5.8603 5.9498 5.9597 6.4070 6.4131 7.2317 7.2438 7.3891 7.3903 7.4395 7.4556 7.5699 7.5886 7.7569 7.7783 8.2296 8.2313 8.4271 8.4303 8.7261 8.7361 8.7700 8.7719 8.8632 8.8653 10.3891 10.4215 10.4540 10.4564 10.6690 10.6829 10.8041 10.8110 14.9551 14.9592 16.1525 16.2012 16.3192 16.3452 16.3810 16.3886 k = 0.2895 0.5014-0.0000 ( 4842 PWs) bands (ev): -16.3397 -16.3397 -16.3063 -16.3063 -9.5262 -9.5259 -8.2119 -8.2089 -8.1665 -8.1643 -8.1474 -8.1453 -7.9230 -7.9229 -7.8931 -7.8926 -2.9411 -2.8985 -2.8632 -2.8190 -1.0989 -1.0866 -0.9734 -0.9158 -0.8327 -0.7884 -0.7392 -0.7324 3.3832 3.3857 3.3952 3.3987 3.6622 3.6676 3.7772 3.7978 4.4384 4.4430 4.4927 4.4932 4.7816 4.7826 4.9141 4.9146 5.4256 5.4284 5.7484 5.7756 5.8207 5.8239 5.8525 5.8682 5.9635 5.9748 6.4007 6.4088 7.2273 7.2410 7.3911 7.3918 7.4490 7.4643 7.5626 7.5776 7.7829 7.8052 8.2312 8.2331 8.4276 8.4316 8.7212 8.7299 8.7695 8.7716 8.8760 8.8783 10.3862 10.4182 10.4553 10.4578 10.6583 10.6736 10.8224 10.8281 14.9587 14.9637 16.1131 16.1607 16.3150 16.3370 16.3631 16.3651 k = 0.2807 0.4862-0.0000 ( 4846 PWs) bands (ev): -16.3435 -16.3435 -16.3030 -16.3029 -9.5237 -9.5233 -8.2172 -8.2143 -8.1624 -8.1604 -8.1425 -8.1404 -7.9258 -7.9256 -7.8916 -7.8911 -2.9515 -2.9062 -2.8577 -2.8169 -1.1135 -1.1004 -0.9617 -0.9132 -0.8433 -0.7899 -0.7440 -0.7351 3.3778 3.3819 3.3974 3.4006 3.6632 3.6670 3.7976 3.8185 4.4368 4.4419 4.4912 4.4916 4.7753 4.7767 4.9276 4.9283 5.4188 5.4222 5.7379 5.7597 5.8152 5.8160 5.8585 5.8757 5.9766 5.9889 6.3929 6.4030 7.2239 7.2384 7.3936 7.3960 7.4583 7.4727 7.5590 7.5706 7.8089 7.8317 8.2337 8.2358 8.4284 8.4330 8.7175 8.7249 8.7689 8.7711 8.8894 8.8918 10.3838 10.4154 10.4564 10.4588 10.6491 10.6656 10.8405 10.8452 14.9628 14.9687 16.0701 16.1167 16.3066 16.3243 16.3422 16.3444 k = 0.2719 0.4710-0.0000 ( 4846 PWs) bands (ev): -16.3473 -16.3473 -16.2996 -16.2996 -9.5206 -9.5202 -8.2221 -8.2192 -8.1581 -8.1562 -8.1379 -8.1358 -7.9284 -7.9280 -7.8903 -7.8898 -2.9626 -2.9152 -2.8522 -2.8147 -1.1287 -1.1152 -0.9512 -0.9114 -0.8553 -0.7946 -0.7475 -0.7377 3.3667 3.3734 3.4032 3.4092 3.6668 3.6689 3.8188 3.8401 4.4351 4.4408 4.4895 4.4897 4.7697 4.7715 4.9418 4.9427 5.4115 5.4153 5.7270 5.7432 5.8097 5.8120 5.8642 5.8826 5.9889 6.0020 6.3834 6.3956 7.2216 7.2364 7.3979 7.4017 7.4674 7.4807 7.5588 7.5675 7.8346 7.8576 8.2372 8.2394 8.4295 8.4346 8.7151 8.7213 8.7684 8.7707 8.9031 8.9054 10.3822 10.4135 10.4573 10.4594 10.6412 10.6588 10.8583 10.8622 14.9672 14.9740 16.0244 16.0699 16.2940 16.3074 16.3198 16.3253 k = 0.2632 0.4558-0.0000 ( 4850 PWs) bands (ev): -16.3512 -16.3512 -16.2962 -16.2962 -9.5171 -9.5165 -8.2266 -8.2238 -8.1536 -8.1519 -8.1334 -8.1315 -7.9306 -7.9301 -7.8893 -7.8887 -2.9746 -2.9252 -2.8470 -2.8125 -1.1445 -1.1309 -0.9431 -0.9109 -0.8677 -0.8024 -0.7494 -0.7402 3.3538 3.3619 3.4119 3.4194 3.6730 3.6733 3.8406 3.8622 4.4333 4.4396 4.4877 4.4877 4.7648 4.7670 4.9565 4.9576 5.4038 5.4079 5.7163 5.7271 5.8050 5.8104 5.8691 5.8888 6.0003 6.0138 6.3726 6.3868 7.2208 7.2353 7.4036 7.4087 7.4760 7.4881 7.5620 7.5679 7.8597 7.8827 8.2420 8.2444 8.4308 8.4364 8.7144 8.7192 8.7678 8.7702 8.9169 8.9191 10.3816 10.4126 10.4579 10.4595 10.6348 10.6531 10.8758 10.8789 14.9718 14.9794 15.9764 16.0207 16.2775 16.2869 16.2976 16.3059 k = 0.2544 0.4406-0.0000 ( 4850 PWs) bands (ev): -16.3552 -16.3552 -16.2929 -16.2928 -9.5130 -9.5124 -8.2307 -8.2279 -8.1489 -8.1475 -8.1293 -8.1274 -7.9324 -7.9317 -7.8884 -7.8878 -2.9872 -2.9362 -2.8419 -2.8106 -1.1608 -1.1474 -0.9398 -0.9124 -0.8782 -0.8122 -0.7501 -0.7426 3.3396 3.3486 3.4223 3.4310 3.6800 3.6817 3.8630 3.8847 4.4314 4.4384 4.4854 4.4857 4.7607 4.7633 4.9715 4.9728 5.3957 5.4000 5.7061 5.7118 5.8020 5.8102 5.8732 5.8942 6.0106 6.0243 6.3604 6.3767 7.2215 7.2354 7.4110 7.4172 7.4841 7.4950 7.5683 7.5717 7.8841 7.9068 8.2482 8.2507 8.4325 8.4384 8.7153 8.7189 8.7673 8.7697 8.9307 8.9328 10.3821 10.4129 10.4581 10.4592 10.6295 10.6486 10.8930 10.8954 14.9764 14.9847 15.9267 15.9698 16.2574 16.2633 16.2750 16.2858 k = 0.2456 0.4254-0.0000 ( 4842 PWs) bands (ev): -16.3592 -16.3592 -16.2895 -16.2895 -9.5083 -9.5077 -8.2343 -8.2315 -8.1443 -8.1430 -8.1254 -8.1237 -7.9337 -7.9329 -7.8877 -7.8870 -3.0005 -2.9482 -2.8371 -2.8088 -1.1776 -1.1645 -0.9452 -0.9172 -0.8826 -0.8220 -0.7504 -0.7449 3.3241 3.3339 3.4342 3.4439 3.6890 3.6929 3.8857 3.9075 4.4295 4.4372 4.4831 4.4837 4.7576 4.7604 4.9865 4.9881 5.3874 5.3918 5.6968 5.6980 5.8005 5.8111 5.8764 5.8988 6.0198 6.0336 6.3470 6.3653 7.2237 7.2367 7.4198 7.4268 7.4917 7.5013 7.5776 7.5786 7.9076 7.9297 8.2560 8.2587 8.4344 8.4406 8.7180 8.7203 8.7667 8.7693 8.9444 8.9462 10.3838 10.4142 10.4581 10.4585 10.6257 10.6454 10.9097 10.9115 14.9809 14.9899 15.8758 15.9176 16.2341 16.2372 16.2511 16.2649 k = 0.2368 0.4102-0.0000 ( 4844 PWs) bands (ev): -16.3633 -16.3633 -16.2862 -16.2862 -9.5032 -9.5025 -8.2375 -8.2347 -8.1396 -8.1386 -8.1219 -8.1203 -7.9346 -7.9336 -7.8870 -7.8864 -3.0144 -2.9611 -2.8326 -2.8073 -1.1947 -1.1821 -0.9600 -0.9265 -0.8803 -0.8301 -0.7506 -0.7472 3.3074 3.3179 3.4474 3.4580 3.7003 3.7063 3.9086 3.9304 4.4276 4.4360 4.4806 4.4815 4.7553 4.7583 5.0015 5.0034 5.3789 5.3832 5.6858 5.6888 5.8003 5.8131 5.8788 5.9025 6.0278 6.0414 6.3327 6.3528 7.2276 7.2396 7.4300 7.4376 7.4986 7.5069 7.5884 7.5899 7.9300 7.9514 8.2655 8.2684 8.4365 8.4430 8.7224 8.7235 8.7661 8.7689 8.9578 8.9594 10.3865 10.4165 10.4576 10.4577 10.6233 10.6434 10.9259 10.9271 14.9852 14.9948 15.8240 15.8645 16.2078 16.2086 16.2255 16.2428 k = 0.2281 0.3950-0.0000 ( 4844 PWs) bands (ev): -16.3674 -16.3674 -16.2830 -16.2830 -9.4976 -9.4968 -8.2403 -8.2374 -8.1349 -8.1342 -8.1188 -8.1173 -7.9350 -7.9337 -7.8865 -7.8858 -3.0288 -2.9747 -2.8284 -2.8061 -1.2121 -1.2001 -0.9811 -0.9409 -0.8743 -0.8355 -0.7512 -0.7494 3.2896 3.3008 3.4619 3.4734 3.7136 3.7220 3.9315 3.9533 4.4256 4.4349 4.4781 4.4794 4.7537 4.7570 5.0162 5.0184 5.3703 5.3742 5.6756 5.6824 5.8014 5.8161 5.8802 5.9054 6.0346 6.0479 6.3177 6.3396 7.2331 7.2439 7.4413 7.4491 7.5048 7.5118 7.6009 7.6050 7.9512 7.9716 8.2768 8.2799 8.4388 8.4455 8.7286 8.7286 8.7656 8.7686 8.9708 8.9722 10.3900 10.4194 10.4564 10.4571 10.6225 10.6429 10.9416 10.9423 14.9891 14.9992 15.7718 15.8111 16.1778 16.1790 16.1972 16.2186 k = 0.2193 0.3798-0.0000 ( 4832 PWs) bands (ev): -16.3715 -16.3715 -16.2798 -16.2798 -9.4915 -9.4906 -8.2426 -8.2397 -8.1304 -8.1299 -8.1159 -8.1146 -7.9348 -7.9334 -7.8860 -7.8854 -3.0436 -2.9891 -2.8246 -2.8052 -1.2297 -1.2184 -1.0059 -0.9603 -0.8669 -0.8380 -0.7522 -0.7518 3.2709 3.2826 3.4774 3.4898 3.7289 3.7397 3.9543 3.9760 4.4237 4.4338 4.4756 4.4772 4.7529 4.7563 5.0305 5.0331 5.3617 5.3650 5.6677 5.6778 5.8035 5.8201 5.8810 5.9075 6.0401 6.0530 6.3023 6.3259 7.2402 7.2497 7.4535 7.4612 7.5101 7.5160 7.6162 7.6230 7.9711 7.9905 8.2898 8.2931 8.4414 8.4482 8.7354 8.7365 8.7652 8.7684 8.9836 8.9847 10.3940 10.4224 10.4554 10.4565 10.6237 10.6442 10.9568 10.9570 14.9926 15.0031 15.7195 15.7576 16.1449 16.1478 16.1652 16.1911 k = 0.2105 0.3646-0.0000 ( 4832 PWs) bands (ev): -16.3756 -16.3756 -16.2767 -16.2766 -9.4849 -9.4841 -8.2445 -8.2417 -8.1259 -8.1257 -8.1133 -8.1121 -7.9342 -7.9326 -7.8855 -7.8849 -3.0589 -3.0041 -2.8212 -2.8045 -1.2473 -1.2369 -1.0331 -0.9835 -0.8592 -0.8384 -0.7542 -0.7539 3.2513 3.2635 3.4940 3.5072 3.7459 3.7593 3.9769 3.9986 4.4218 4.4326 4.4730 4.4750 4.7526 4.7560 5.0441 5.0471 5.3529 5.3555 5.6621 5.6752 5.8067 5.8249 5.8810 5.9090 6.0443 6.0567 6.2866 6.3118 7.2489 7.2570 7.4662 7.4735 7.5147 7.5195 7.6340 7.6437 7.9898 8.0080 8.3044 8.3079 8.4441 8.4509 8.7439 8.7459 8.7649 8.7686 8.9958 8.9967 10.3980 10.4248 10.4546 10.4558 10.6273 10.6475 10.9712 10.9713 14.9955 15.0064 15.6674 15.7044 16.1104 16.1146 16.1286 16.1585 k = 0.2018 0.3494-0.0000 ( 4832 PWs) bands (ev): -16.3797 -16.3797 -16.2736 -16.2736 -9.4780 -9.4771 -8.2461 -8.2433 -8.1217 -8.1217 -8.1109 -8.1099 -7.9332 -7.9313 -7.8851 -7.8845 -3.0745 -3.0196 -2.8181 -2.8042 -1.2650 -1.2555 -1.0620 -1.0096 -0.8516 -0.8373 -0.7568 -0.7561 3.2310 3.2437 3.5114 3.5256 3.7646 3.7806 3.9993 4.0208 4.4199 4.4315 4.4705 4.4729 4.7529 4.7562 5.0569 5.0604 5.3442 5.3457 5.6590 5.6746 5.8107 5.8304 5.8804 5.9099 6.0474 6.0591 6.2710 6.2976 7.2590 7.2658 7.4792 7.4859 7.5185 7.5225 7.6544 7.6671 8.0073 8.0242 8.3204 8.3241 8.4469 8.4537 8.7537 8.7561 8.7651 8.7698 9.0076 9.0082 10.4014 10.4260 10.4544 10.4551 10.6337 10.6533 10.9848 10.9852 14.9979 15.0090 15.6159 15.6517 16.0744 16.0798 16.0871 16.1196 k = 0.1930 0.3343-0.0000 ( 4835 PWs) bands (ev): -16.3838 -16.3838 -16.2706 -16.2706 -9.4708 -9.4698 -8.2474 -8.2447 -8.1179 -8.1176 -8.1087 -8.1078 -7.9317 -7.9296 -7.8846 -7.8841 -3.0904 -3.0357 -2.8155 -2.8041 -1.2826 -1.2741 -1.0922 -1.0379 -0.8444 -0.8353 -0.7596 -0.7590 3.2101 3.2232 3.5297 3.5448 3.7846 3.8034 4.0213 4.0427 4.4181 4.4303 4.4680 4.4707 4.7534 4.7565 5.0688 5.0728 5.3354 5.3356 5.6584 5.6761 5.8155 5.8367 5.8795 5.9103 6.0493 6.0603 6.2554 6.2835 7.2706 7.2761 7.4920 7.4983 7.5215 7.5251 7.6772 7.6929 8.0237 8.0393 8.3375 8.3414 8.4498 8.4566 8.7612 8.7632 8.7694 8.7757 9.0189 9.0192 10.4039 10.4255 10.4545 10.4546 10.6432 10.6619 10.9977 10.9985 14.9996 15.0109 15.5653 15.5998 16.0370 16.0413 16.0436 16.0743 k = 0.1842 0.3191-0.0000 ( 4839 PWs) bands (ev): -16.3878 -16.3878 -16.2677 -16.2677 -9.4632 -9.4622 -8.2484 -8.2458 -8.1143 -8.1138 -8.1066 -8.1057 -7.9298 -7.9275 -7.8842 -7.8837 -3.1065 -3.0522 -2.8132 -2.8043 -1.3000 -1.2926 -1.1233 -1.0677 -0.8378 -0.8327 -0.7625 -0.7625 3.1887 3.2021 3.5487 3.5648 3.8058 3.8276 4.0428 4.0641 4.4163 4.4291 4.4655 4.4686 4.7541 4.7568 5.0797 5.0842 5.3253 5.3266 5.6603 5.6796 5.8209 5.8435 5.8782 5.9103 6.0500 6.0602 6.2401 6.2696 7.2836 7.2877 7.5041 7.5105 7.5239 7.5277 7.7022 7.7208 8.0391 8.0536 8.3555 8.3595 8.4528 8.4596 8.7624 8.7651 8.7817 8.7884 9.0296 9.0296 10.4052 10.4237 10.4540 10.4547 10.6561 10.6736 11.0100 11.0110 15.0007 15.0121 15.5157 15.5491 15.9906 15.9999 16.0063 16.0240 k = 0.1754 0.3039-0.0000 ( 4839 PWs) bands (ev): -16.3918 -16.3917 -16.2650 -16.2649 -9.4553 -9.4543 -8.2492 -8.2467 -8.1111 -8.1103 -8.1043 -8.1035 -7.9276 -7.9252 -7.8838 -7.8833 -3.1226 -3.0689 -2.8114 -2.8048 -1.3172 -1.3110 -1.1550 -1.0985 -0.8317 -0.8297 -0.7665 -0.7655 3.1670 3.1808 3.5683 3.5853 3.8280 3.8528 4.0638 4.0850 4.4145 4.4278 4.4631 4.4666 4.7549 4.7570 5.0894 5.0944 5.3148 5.3179 5.6647 5.6850 5.8269 5.8508 5.8768 5.9101 6.0498 6.0591 6.2252 6.2561 7.2978 7.3007 7.5144 7.5225 7.5257 7.5314 7.7293 7.7506 8.0538 8.0671 8.3740 8.3782 8.4559 8.4627 8.7625 8.7657 8.7968 8.8041 9.0395 9.0397 10.4052 10.4208 10.4532 10.4543 10.6725 10.6886 11.0216 11.0229 15.0011 15.0125 15.4675 15.4996 15.9379 15.9614 15.9668 15.9715 k = 0.1667 0.2887-0.0000 ( 4841 PWs) bands (ev): -16.3956 -16.3956 -16.2623 -16.2622 -9.4473 -9.4463 -8.2499 -8.2474 -8.1082 -8.1072 -8.1018 -8.1011 -7.9252 -7.9226 -7.8834 -7.8830 -3.1387 -3.0860 -2.8100 -2.8054 -1.3340 -1.3292 -1.1869 -1.1300 -0.8265 -0.8264 -0.7710 -0.7686 3.1452 3.1591 3.5883 3.6063 3.8511 3.8791 4.0841 4.1053 4.4128 4.4265 4.4608 4.4646 4.7555 4.7568 5.0982 5.1037 5.3041 5.3092 5.6713 5.6923 5.8332 5.8586 5.8756 5.9098 6.0487 6.0568 6.2108 6.2430 7.3131 7.3149 7.5206 7.5268 7.5345 7.5386 7.7580 7.7819 8.0677 8.0800 8.3927 8.3971 8.4590 8.4660 8.7626 8.7661 8.8134 8.8214 9.0488 9.0492 10.4041 10.4172 10.4520 10.4531 10.6922 10.7068 11.0326 11.0340 15.0009 15.0122 15.4208 15.4517 15.8829 15.9128 15.9227 15.9308 k = 0.1579 0.2735-0.0000 ( 4841 PWs) bands (ev): -16.3994 -16.3994 -16.2597 -16.2597 -9.4392 -9.4381 -8.2504 -8.2480 -8.1056 -8.1046 -8.0990 -8.0984 -7.9226 -7.9199 -7.8830 -7.8827 -3.1548 -3.1031 -2.8089 -2.8063 -1.3504 -1.3471 -1.2189 -1.1617 -0.8232 -0.8219 -0.7759 -0.7715 3.1234 3.1375 3.6086 3.6277 3.8748 3.9060 4.1039 4.1250 4.4111 4.4250 4.4586 4.4626 4.7558 4.7560 5.1059 5.1118 5.2932 5.3006 5.6801 5.7012 5.8397 5.8666 5.8747 5.9095 6.0467 6.0536 6.1970 6.2304 7.3293 7.3301 7.5231 7.5276 7.5464 7.5490 7.7882 7.8143 8.0811 8.0925 8.4112 8.4159 8.4620 8.4694 8.7626 8.7664 8.8314 8.8400 9.0575 9.0581 10.4022 10.4131 10.4502 10.4510 10.7148 10.7281 11.0428 11.0444 15.0001 15.0112 15.3758 15.4055 15.8267 15.8550 15.8841 15.8923 k = 0.1491 0.2583-0.0000 ( 4841 PWs) bands (ev): -16.4031 -16.4031 -16.2572 -16.2572 -9.4309 -9.4298 -8.2508 -8.2486 -8.1033 -8.1023 -8.0959 -8.0955 -7.9198 -7.9170 -7.8828 -7.8825 -3.1707 -3.1203 -2.8082 -2.8074 -1.3664 -1.3647 -1.2505 -1.1933 -0.8198 -0.8184 -0.7812 -0.7741 3.1018 3.1159 3.6292 3.6493 3.8990 3.9335 4.1228 4.1440 4.4095 4.4236 4.4565 4.4606 4.7545 4.7556 5.1126 5.1189 5.2823 5.2920 5.6908 5.7115 5.8459 5.8745 5.8747 5.9094 6.0441 6.0496 6.1837 6.2184 7.3461 7.3462 7.5240 7.5280 7.5584 7.5606 7.8193 7.8474 8.0940 8.1046 8.4289 8.4344 8.4650 8.4732 8.7628 8.7668 8.8506 8.8597 9.0656 9.0664 10.3996 10.4087 10.4477 10.4481 10.7399 10.7519 11.0523 11.0540 14.9988 15.0095 15.3328 15.3611 15.7697 15.7962 15.8458 15.8541 k = 0.1404 0.2431-0.0000 ( 4837 PWs) bands (ev): -16.4067 -16.4067 -16.2548 -16.2548 -9.4227 -9.4216 -8.2513 -8.2491 -8.1011 -8.1000 -8.0927 -8.0924 -7.9170 -7.9141 -7.8825 -7.8823 -3.1862 -3.1375 -2.8085 -2.8078 -1.3819 -1.3818 -1.2817 -1.2245 -0.8165 -0.8162 -0.7866 -0.7761 3.0806 3.0946 3.6499 3.6709 3.9234 3.9612 4.1411 4.1623 4.4080 4.4220 4.4545 4.4587 4.7520 4.7547 5.1184 5.1251 5.2713 5.2836 5.7032 5.7230 5.8515 5.8755 5.8828 5.9097 6.0408 6.0447 6.1710 6.2068 7.3628 7.3635 7.5243 7.5281 7.5705 7.5727 7.8511 7.8809 8.1066 8.1165 8.4453 8.4524 8.4680 8.4779 8.7631 8.7672 8.8707 8.8802 9.0732 9.0741 10.3966 10.4042 10.4445 10.4447 10.7671 10.7779 11.0612 11.0629 14.9970 15.0072 15.2919 15.3188 15.7125 15.7373 15.8079 15.8164 k = 0.1316 0.2279-0.0000 ( 4841 PWs) bands (ev): -16.4101 -16.4101 -16.2526 -16.2526 -9.4145 -9.4134 -8.2517 -8.2497 -8.0988 -8.0978 -8.0894 -8.0892 -7.9142 -7.9113 -7.8824 -7.8823 -3.2014 -3.1544 -2.8098 -2.8078 -1.3987 -1.3965 -1.3120 -1.2550 -0.8153 -0.8133 -0.7921 -0.7773 3.0598 3.0736 3.6706 3.6924 3.9481 3.9891 4.1586 4.1799 4.4066 4.4204 4.4525 4.4567 4.7484 4.7529 5.1234 5.1305 5.2604 5.2753 5.7170 5.7355 5.8559 5.8782 5.8904 5.9107 6.0370 6.0391 6.1588 6.1957 7.3797 7.3809 7.5242 7.5279 7.5829 7.5850 7.8832 7.9143 8.1188 8.1283 8.4589 8.4697 8.4709 8.4845 8.7635 8.7678 8.8916 8.9014 9.0803 9.0812 10.3934 10.3997 10.4405 10.4411 10.7958 10.8057 11.0693 11.0711 14.9948 15.0044 15.2532 15.2786 15.6557 15.6788 15.7708 15.7794 k = 0.1228 0.2127-0.0000 ( 4847 PWs) bands (ev): -16.4134 -16.4134 -16.2505 -16.2505 -9.4064 -9.4053 -8.2521 -8.2503 -8.0965 -8.0955 -8.0861 -8.0860 -7.9114 -7.9085 -7.8824 -7.8823 -3.2161 -3.1711 -2.8112 -2.8080 -1.4150 -1.4105 -1.3414 -1.2846 -0.8159 -0.8107 -0.7971 -0.7777 3.0396 3.0532 3.6910 3.7136 3.9726 4.0169 4.1753 4.1968 4.4053 4.4187 4.4506 4.4548 4.7437 4.7502 5.1276 5.1350 5.2497 5.2672 5.7319 5.7488 5.8590 5.8826 5.8971 5.9129 6.0328 6.0330 6.1471 6.1849 7.3966 7.3981 7.5239 7.5276 7.5956 7.5977 7.9151 7.9473 8.1309 8.1399 8.4682 8.4737 8.4861 8.4944 8.7640 8.7684 8.9130 8.9231 9.0867 9.0877 10.3900 10.3953 10.4361 10.4372 10.8257 10.8346 11.0767 11.0785 14.9922 15.0011 15.2169 15.2408 15.5998 15.6210 15.7346 15.7433 k = 0.1140 0.1975-0.0000 ( 4851 PWs) bands (ev): -16.4165 -16.4165 -16.2485 -16.2485 -9.3985 -9.3975 -8.2525 -8.2509 -8.0941 -8.0931 -8.0828 -8.0827 -7.9087 -7.9058 -7.8825 -7.8825 -3.2302 -3.1875 -2.8126 -2.8085 -1.4308 -1.4238 -1.3695 -1.3129 -0.8177 -0.8100 -0.8002 -0.7773 3.0203 3.0335 3.7112 3.7344 3.9971 4.0443 4.1913 4.2128 4.4041 4.4170 4.4488 4.4530 4.7377 4.7464 5.1312 5.1388 5.2394 5.2592 5.7477 5.7626 5.8614 5.8882 5.9019 5.9170 6.0263 6.0283 6.1358 6.1744 7.4132 7.4148 7.5235 7.5271 7.6087 7.6107 7.9466 7.9794 8.1427 8.1515 8.4740 8.4763 8.5016 8.5069 8.7646 8.7691 8.9347 8.9448 9.0927 9.0936 10.3867 10.3909 10.4316 10.4330 10.8561 10.8643 11.0834 11.0853 14.9893 14.9974 15.1831 15.2052 15.5452 15.5646 15.6994 15.7082 k = 0.1053 0.1823-0.0000 ( 4853 PWs) bands (ev): -16.4195 -16.4195 -16.2467 -16.2467 -9.3909 -9.3899 -8.2530 -8.2515 -8.0916 -8.0906 -8.0795 -8.0794 -7.9061 -7.9033 -7.8827 -7.8827 -3.2437 -3.2033 -2.8140 -2.8092 -1.4460 -1.4362 -1.3962 -1.3397 -0.8204 -0.8130 -0.7997 -0.7764 3.0019 3.0146 3.7310 3.7545 4.0211 4.0710 4.2066 4.2281 4.4031 4.4154 4.4471 4.4511 4.7304 4.7415 5.1343 5.1420 5.2295 5.2514 5.7641 5.7768 5.8636 5.8943 5.9051 5.9230 6.0191 6.0236 6.1250 6.1642 7.4291 7.4307 7.5231 7.5266 7.6223 7.6241 7.9771 8.0102 8.1544 8.1630 8.4779 8.4789 8.5160 8.5199 8.7654 8.7698 8.9564 8.9665 9.0982 9.0990 10.3834 10.3868 10.4271 10.4287 10.8867 10.8942 11.0894 11.0913 14.9861 14.9932 15.1519 15.1722 15.4922 15.5099 15.6653 15.6743 k = 0.0965 0.1671-0.0000 ( 4853 PWs) bands (ev): -16.4223 -16.4223 -16.2450 -16.2450 -9.3836 -9.3827 -8.2536 -8.2522 -8.0891 -8.0882 -8.0762 -8.0762 -7.9037 -7.9009 -7.8831 -7.8831 -3.2563 -3.2185 -2.8154 -2.8101 -1.4608 -1.4478 -1.4213 -1.3648 -0.8237 -0.8178 -0.7973 -0.7752 2.9845 2.9967 3.7501 3.7737 4.0447 4.0967 4.2213 4.2426 4.4023 4.4137 4.4455 4.4493 4.7220 4.7354 5.1368 5.1446 5.2202 5.2438 5.7810 5.7912 5.8660 5.9005 5.9074 5.9298 6.0116 6.0187 6.1145 6.1541 7.4439 7.4455 7.5228 7.5261 7.6363 7.6378 8.0064 8.0393 8.1661 8.1745 8.4810 8.4813 8.5294 8.5325 8.7662 8.7706 8.9778 8.9877 9.1033 9.1040 10.3802 10.3829 10.4226 10.4244 10.9169 10.9238 11.0948 11.0967 14.9827 14.9887 15.1235 15.1417 15.4413 15.4572 15.6324 15.6415 k = 0.0877 0.1519-0.0000 ( 4853 PWs) bands (ev): -16.4248 -16.4248 -16.2434 -16.2434 -9.3767 -9.3758 -8.2541 -8.2529 -8.0866 -8.0857 -8.0729 -8.0729 -7.9014 -7.8988 -7.8837 -7.8835 -3.2680 -3.2331 -2.8167 -2.8111 -1.4750 -1.4586 -1.4445 -1.3880 -0.8273 -0.8229 -0.7945 -0.7740 2.9683 2.9798 3.7685 3.7919 4.0676 4.1210 4.2355 4.2563 4.4018 4.4122 4.4439 4.4475 4.7126 4.7281 5.1389 5.1465 5.2119 5.2365 5.7980 5.8057 5.8690 5.9066 5.9094 5.9368 6.0039 6.0139 6.1043 6.1440 7.4575 7.4589 7.5225 7.5255 7.6506 7.6517 8.0340 8.0661 8.1779 8.1860 8.4835 8.4836 8.5415 8.5442 8.7672 8.7715 8.9985 9.0082 9.1081 9.1086 10.3772 10.3793 10.4183 10.4202 10.9464 10.9527 11.0997 11.1015 14.9791 14.9838 15.0979 15.1139 15.3929 15.4070 15.6006 15.6097 k = 0.0789 0.1367-0.0000 ( 4853 PWs) bands (ev): -16.4272 -16.4272 -16.2420 -16.2420 -9.3703 -9.3694 -8.2547 -8.2537 -8.0841 -8.0832 -8.0697 -8.0697 -7.8994 -7.8969 -7.8842 -7.8840 -3.2788 -3.2468 -2.8179 -2.8122 -1.4886 -1.4698 -1.4645 -1.4090 -0.8310 -0.8278 -0.7916 -0.7728 2.9535 2.9641 3.7861 3.8089 4.0896 4.1434 4.2494 4.2692 4.4016 4.4107 4.4425 4.4458 4.7023 4.7197 5.1406 5.1478 5.2045 5.2295 5.8150 5.8201 5.8724 5.9114 5.9122 5.9438 5.9959 6.0091 6.0944 6.1339 7.4697 7.4708 7.5223 7.5251 7.6650 7.6658 8.0596 8.0903 8.1900 8.1976 8.4856 8.4859 8.5525 8.5549 8.7682 8.7723 9.0182 9.0275 9.1126 9.1128 10.3744 10.3760 10.4143 10.4163 10.9746 10.9803 11.1040 11.1057 14.9754 14.9786 15.0753 15.0889 15.3474 15.3598 15.5699 15.5790 k = 0.0702 0.1215-0.0000 ( 4847 PWs) bands (ev): -16.4293 -16.4293 -16.2407 -16.2407 -9.3643 -9.3635 -8.2553 -8.2544 -8.0817 -8.0809 -8.0666 -8.0666 -7.8976 -7.8953 -7.8849 -7.8846 -3.2884 -3.2596 -2.8190 -2.8135 -1.5017 -1.4868 -1.4756 -1.4277 -0.8347 -0.8324 -0.7888 -0.7718 2.9400 2.9497 3.8026 3.8244 4.1107 4.1636 4.2632 4.2812 4.4017 4.4095 4.4411 4.4441 4.6915 4.7104 5.1419 5.1484 5.1984 5.2229 5.8317 5.8342 5.8765 5.9135 5.9173 5.9505 5.9879 6.0044 6.0848 6.1237 7.4802 7.4812 7.5224 7.5248 7.6791 7.6796 8.0828 8.1112 8.2024 8.2091 8.4875 8.4879 8.5623 8.5645 8.7693 8.7732 9.0364 9.0453 9.1169 9.1170 10.3718 10.3729 10.4107 10.4127 11.0010 11.0062 11.1079 11.1095 14.9714 14.9731 15.0556 15.0668 15.3052 15.3159 15.5404 15.5493 k = 0.0614 0.1064-0.0000 ( 4851 PWs) bands (ev): -16.4312 -16.4312 -16.2396 -16.2396 -9.3589 -9.3582 -8.2558 -8.2551 -8.0794 -8.0786 -8.0637 -8.0637 -7.8961 -7.8939 -7.8855 -7.8852 -3.2969 -3.2714 -2.8200 -2.8147 -1.5139 -1.5039 -1.4833 -1.4441 -0.8381 -0.8367 -0.7862 -0.7710 2.9279 2.9367 3.8179 3.8384 4.1305 4.1809 4.2767 4.2922 4.4023 4.4086 4.4398 4.4425 4.6804 4.7002 5.1427 5.1483 5.1936 5.2167 5.8478 5.8479 5.8812 5.9155 5.9218 5.9568 5.9798 5.9999 6.0754 6.1133 7.4890 7.4899 7.5226 7.5246 7.6927 7.6929 8.1033 8.1288 8.2150 8.2204 8.4892 8.4896 8.5710 8.5729 8.7704 8.7740 9.0529 9.0612 9.1210 9.1213 10.3695 10.3703 10.4075 10.4094 11.0253 11.0299 11.1113 11.1129 14.9673 14.9674 15.0391 15.0476 15.2667 15.2757 15.5124 15.5206 k = 0.0526 0.0912-0.0000 ( 4849 PWs) bands (ev): -16.4329 -16.4329 -16.2386 -16.2386 -9.3542 -9.3535 -8.2564 -8.2557 -8.0773 -8.0766 -8.0610 -8.0609 -7.8948 -7.8928 -7.8861 -7.8858 -3.3042 -3.2820 -2.8208 -2.8159 -1.5253 -1.5191 -1.4897 -1.4582 -0.8414 -0.8404 -0.7836 -0.7704 2.9174 2.9251 3.8319 3.8505 4.1489 4.1952 4.2900 4.3023 4.4034 4.4080 4.4387 4.4409 4.6696 4.6895 5.1432 5.1475 5.1902 5.2111 5.8609 5.8632 5.8866 5.9176 5.9256 5.9625 5.9721 5.9958 6.0665 6.1029 7.4962 7.4970 7.5231 7.5246 7.7054 7.7054 8.1210 8.1429 8.2275 8.2315 8.4907 8.4910 8.5784 8.5801 8.7715 8.7747 9.0671 9.0746 9.1253 9.1258 10.3674 10.3679 10.4048 10.4065 11.0470 11.0510 11.1146 11.1160 14.9615 14.9629 15.0256 15.0315 15.2322 15.2397 15.4863 15.4936 k = 0.0439 0.0760-0.0000 ( 4849 PWs) bands (ev): -16.4343 -16.4343 -16.2378 -16.2378 -9.3500 -9.3495 -8.2568 -8.2563 -8.0754 -8.0748 -8.0585 -8.0585 -7.8938 -7.8921 -7.8865 -7.8862 -3.3102 -3.2915 -2.8214 -2.8171 -1.5355 -1.5320 -1.4948 -1.4701 -0.8442 -0.8437 -0.7813 -0.7701 2.9086 2.9151 3.8444 3.8607 4.1656 4.2063 4.3025 4.3112 4.4049 4.4080 4.4376 4.4394 4.6594 4.6786 5.1433 5.1462 5.1882 5.2060 5.8730 5.8775 5.8925 5.9194 5.9286 5.9621 5.9702 5.9921 6.0582 6.0924 7.5017 7.5025 7.5240 7.5250 7.7167 7.7168 8.1357 8.1538 8.2394 8.2420 8.4919 8.4923 8.5847 8.5862 8.7726 8.7753 9.0788 9.0853 9.1300 9.1305 10.3656 10.3659 10.4025 10.4040 11.0655 11.0689 11.1178 11.1190 14.9557 14.9583 15.0150 15.0186 15.2023 15.2083 15.4627 15.4690 k = 0.0351 0.0608-0.0000 ( 4847 PWs) bands (ev): -16.4355 -16.4355 -16.2371 -16.2371 -9.3466 -9.3462 -8.2572 -8.2568 -8.0738 -8.0733 -8.0564 -8.0564 -7.8931 -7.8918 -7.8868 -7.8866 -3.3148 -3.2997 -2.8218 -2.8183 -1.5444 -1.5426 -1.4987 -1.4799 -0.8467 -0.8464 -0.7791 -0.7701 2.9014 2.9067 3.8552 3.8688 4.1804 4.2142 4.3137 4.3189 4.4068 4.4086 4.4365 4.4380 4.6505 4.6679 5.1431 5.1448 5.1872 5.2016 5.8840 5.8904 5.8991 5.9210 5.9307 5.9547 5.9749 5.9891 6.0509 6.0819 7.5057 7.5065 7.5251 7.5257 7.7265 7.7266 8.1478 8.1619 8.2500 8.2515 8.4930 8.4933 8.5899 8.5911 8.7736 8.7758 9.0878 9.0931 9.1349 9.1354 10.3641 10.3642 10.4007 10.4019 11.0804 11.0830 11.1213 11.1221 14.9504 14.9535 15.0068 15.0087 15.1772 15.1819 15.4425 15.4476 k = 0.0263 0.0456-0.0000 ( 4855 PWs) bands (ev): -16.4364 -16.4364 -16.2366 -16.2366 -9.3439 -9.3436 -8.2576 -8.2573 -8.0724 -8.0721 -8.0547 -8.0547 -7.8927 -7.8917 -7.8869 -7.8867 -3.3180 -3.3066 -2.8220 -2.8193 -1.5516 -1.5508 -1.5014 -1.4878 -0.8486 -0.8485 -0.7772 -0.7703 2.8959 2.8999 3.8642 3.8748 4.1932 4.2192 4.3226 4.3251 4.4090 4.4098 4.4356 4.4366 4.6435 4.6579 5.1427 5.1435 5.1870 5.1978 5.8936 5.9016 5.9061 5.9221 5.9318 5.9469 5.9795 5.9868 6.0453 6.0716 7.5083 7.5091 7.5263 7.5266 7.7344 7.7346 8.1571 8.1675 8.2588 8.2595 8.4938 8.4940 8.5939 8.5948 8.7744 8.7761 9.0943 9.0982 9.1397 9.1400 10.3628 10.3629 10.3993 10.4003 11.0914 11.0932 11.1250 11.1255 14.9460 14.9490 15.0009 15.0017 15.1574 15.1608 15.4262 15.4300 k = 0.0175 0.0304-0.0000 ( 4863 PWs) bands (ev): -16.4371 -16.4371 -16.2362 -16.2362 -9.3419 -9.3417 -8.2578 -8.2576 -8.0714 -8.0712 -8.0535 -8.0535 -7.8924 -7.8918 -7.8868 -7.8868 -3.3197 -3.3121 -2.8221 -2.8202 -1.5569 -1.5567 -1.5027 -1.4939 -0.8501 -0.8500 -0.7754 -0.7708 2.8921 2.8948 3.8713 3.8786 4.2037 4.2213 4.3290 4.3298 4.4111 4.4113 4.4347 4.4354 4.6388 4.6493 5.1422 5.1424 5.1875 5.1946 5.9019 5.9104 5.9129 5.9226 5.9317 5.9394 5.9828 5.9854 6.0423 6.0619 7.5099 7.5105 7.5274 7.5275 7.7402 7.7404 8.1641 8.1709 8.2654 8.2656 8.4944 8.4945 8.5968 8.5974 8.7751 8.7763 9.0986 9.1012 9.1437 9.1438 10.3619 10.3620 10.3984 10.3991 11.0984 11.0995 11.1287 11.1289 14.9429 14.9452 14.9968 14.9971 15.1432 15.1454 15.4144 15.4169 k = 0.0088 0.0152-0.0000 ( 4865 PWs) bands (ev): -16.4375 -16.4375 -16.2360 -16.2360 -9.3407 -9.3406 -8.2579 -8.2578 -8.0708 -8.0707 -8.0527 -8.0527 -7.8923 -7.8920 -7.8868 -7.8868 -3.3201 -3.3162 -2.8219 -2.8209 -1.5602 -1.5602 -1.5027 -1.4983 -0.8509 -0.8509 -0.7739 -0.7716 2.8902 2.8915 3.8764 3.8801 4.2119 4.2207 4.3327 4.3328 4.4127 4.4127 4.4341 4.4344 4.6371 4.6425 5.1418 5.1418 5.1885 5.1921 5.9089 5.9153 5.9191 5.9234 5.9303 5.9326 5.9846 5.9849 6.0427 6.0533 7.5109 7.5112 7.5282 7.5282 7.7438 7.7439 8.1689 8.1722 8.2694 8.2694 8.4948 8.4949 8.5986 8.5989 8.7757 8.7763 9.1013 9.1026 9.1463 9.1463 10.3614 10.3614 10.3979 10.3983 11.1022 11.1027 11.1315 11.1315 14.9412 14.9424 14.9945 14.9945 15.1348 15.1359 15.4074 15.4087 k = 0.0000 0.0000 0.0000 ( 4861 PWs) bands (ev): -16.4376 -16.4376 -16.2359 -16.2359 -9.3402 -9.3402 -8.2579 -8.2579 -8.0706 -8.0706 -8.0525 -8.0525 -7.8921 -7.8921 -7.8868 -7.8868 -3.3189 -3.3189 -2.8215 -2.8215 -1.5613 -1.5613 -1.5012 -1.5012 -0.8512 -0.8512 -0.7726 -0.7726 2.8900 2.8900 3.8793 3.8793 4.2176 4.2176 4.3339 4.3339 4.4132 4.4132 4.4340 4.4340 4.6383 4.6383 5.1417 5.1417 5.1901 5.1901 5.9141 5.9141 5.9238 5.9238 5.9287 5.9287 5.9850 5.9850 6.0466 6.0466 7.5113 7.5113 7.5284 7.5284 7.7451 7.7451 8.1716 8.1716 8.2708 8.2708 8.4949 8.4949 8.5994 8.5994 8.7761 8.7761 9.1026 9.1026 9.1472 9.1472 10.3612 10.3612 10.3979 10.3979 11.1035 11.1035 11.1325 11.1325 14.9410 14.9410 14.9937 14.9937 15.1323 15.1323 15.4055 15.4055 k = 0.0000 0.0000 0.0000 ( 4861 PWs) bands (ev): -16.4376 -16.4376 -16.2359 -16.2359 -9.3402 -9.3402 -8.2579 -8.2579 -8.0706 -8.0706 -8.0525 -8.0525 -7.8921 -7.8921 -7.8868 -7.8868 -3.3189 -3.3189 -2.8215 -2.8215 -1.5613 -1.5613 -1.5012 -1.5012 -0.8512 -0.8512 -0.7726 -0.7726 2.8900 2.8900 3.8793 3.8793 4.2176 4.2176 4.3339 4.3339 4.4132 4.4132 4.4340 4.4340 4.6383 4.6383 5.1417 5.1417 5.1901 5.1901 5.9141 5.9141 5.9238 5.9238 5.9287 5.9287 5.9850 5.9850 6.0466 6.0466 7.5113 7.5113 7.5284 7.5284 7.7451 7.7451 8.1716 8.1716 8.2708 8.2708 8.4949 8.4949 8.5994 8.5994 8.7761 8.7761 9.1026 9.1026 9.1472 9.1472 10.3612 10.3612 10.3979 10.3979 11.1035 11.1035 11.1325 11.1325 14.9410 14.9410 14.9937 14.9937 15.1323 15.1323 15.4055 15.4055 k = 0.0000 0.0000 0.0177 ( 4867 PWs) bands (ev): -16.4375 -16.4375 -16.2360 -16.2360 -9.3398 -9.3398 -8.2588 -8.2588 -8.0704 -8.0704 -8.0523 -8.0523 -7.8922 -7.8922 -7.8868 -7.8868 -3.3186 -3.3186 -2.8219 -2.8219 -1.5611 -1.5611 -1.5007 -1.5007 -0.8519 -0.8519 -0.7733 -0.7733 2.8916 2.8916 3.8792 3.8792 4.2177 4.2177 4.3341 4.3341 4.4135 4.4135 4.4341 4.4341 4.6391 4.6391 5.1396 5.1396 5.1875 5.1875 5.9119 5.9119 5.9280 5.9280 5.9303 5.9303 5.9850 5.9850 6.0460 6.0460 7.5124 7.5124 7.5294 7.5294 7.7455 7.7455 8.1724 8.1724 8.2714 8.2714 8.4948 8.4948 8.5988 8.5988 8.7740 8.7740 9.1023 9.1023 9.1469 9.1469 10.3622 10.3622 10.3987 10.3987 11.1025 11.1025 11.1315 11.1315 14.9369 14.9369 14.9891 14.9891 15.1366 15.1366 15.4064 15.4064 k = 0.0000 0.0000 0.0355 ( 4867 PWs) bands (ev): -16.4371 -16.4371 -16.2363 -16.2363 -9.3385 -9.3385 -8.2615 -8.2615 -8.0700 -8.0700 -8.0519 -8.0519 -7.8923 -7.8923 -7.8870 -7.8870 -3.3179 -3.3179 -2.8232 -2.8232 -1.5606 -1.5606 -1.4990 -1.4990 -0.8539 -0.8539 -0.7754 -0.7754 2.8965 2.8965 3.8786 3.8786 4.2183 4.2183 4.3346 4.3346 4.4141 4.4141 4.4346 4.4346 4.6413 4.6413 5.1339 5.1339 5.1801 5.1801 5.9055 5.9055 5.9334 5.9334 5.9403 5.9403 5.9870 5.9870 6.0442 6.0442 7.5154 7.5154 7.5324 7.5324 7.7469 7.7469 8.1749 8.1749 8.2735 8.2735 8.4946 8.4946 8.5972 8.5972 8.7676 8.7676 9.1015 9.1015 9.1460 9.1460 10.3650 10.3650 10.4013 10.4013 11.0997 11.0997 11.1286 11.1286 14.9247 14.9247 14.9757 14.9757 15.1493 15.1493 15.4091 15.4091 k = 0.0000 0.0000 0.0532 ( 4861 PWs) bands (ev): -16.4364 -16.4364 -16.2367 -16.2367 -9.3364 -9.3364 -8.2660 -8.2660 -8.0693 -8.0693 -8.0513 -8.0513 -7.8926 -7.8926 -7.8873 -7.8873 -3.3166 -3.3166 -2.8252 -2.8252 -1.5597 -1.5597 -1.4963 -1.4963 -0.8573 -0.8573 -0.7788 -0.7788 2.9047 2.9047 3.8778 3.8778 4.2192 4.2192 4.3356 4.3356 4.4153 4.4153 4.4354 4.4354 4.6449 4.6449 5.1247 5.1247 5.1683 5.1683 5.8949 5.8949 5.9326 5.9326 5.9602 5.9602 5.9958 5.9958 6.0411 6.0411 7.5204 7.5204 7.5371 7.5371 7.7491 7.7491 8.1791 8.1791 8.2769 8.2769 8.4942 8.4942 8.5946 8.5946 8.7572 8.7572 9.1001 9.1001 9.1445 9.1445 10.3697 10.3697 10.4055 10.4055 11.0950 11.0950 11.1238 11.1238 14.9049 14.9049 14.9541 14.9541 15.1706 15.1706 15.4136 15.4136 k = 0.0000 0.0000 0.0710 ( 4873 PWs) bands (ev): -16.4354 -16.4354 -16.2373 -16.2373 -9.3334 -9.3334 -8.2723 -8.2723 -8.0682 -8.0682 -8.0504 -8.0504 -7.8929 -7.8929 -7.8876 -7.8876 -3.3148 -3.3148 -2.8281 -2.8281 -1.5584 -1.5584 -1.4926 -1.4926 -0.8620 -0.8620 -0.7836 -0.7836 2.9161 2.9161 3.8768 3.8768 4.2205 4.2205 4.3368 4.3368 4.4168 4.4168 4.4365 4.4365 4.6497 4.6497 5.1126 5.1126 5.1528 5.1528 5.8803 5.8803 5.9245 5.9245 5.9870 5.9870 6.0146 6.0146 6.0367 6.0367 7.5270 7.5270 7.5435 7.5435 7.7522 7.7522 8.1850 8.1850 8.2816 8.2816 8.4936 8.4936 8.5909 8.5909 8.7429 8.7429 9.0982 9.0982 9.1425 9.1425 10.3761 10.3761 10.4112 10.4112 11.0884 11.0884 11.1170 11.1170 14.8785 14.8785 14.9255 14.9255 15.2002 15.2002 15.4199 15.4199 k = 0.0000 0.0000 0.0887 ( 4885 PWs) bands (ev): -16.4341 -16.4341 -16.2381 -16.2381 -9.3295 -9.3295 -8.2803 -8.2803 -8.0670 -8.0670 -8.0492 -8.0492 -7.8934 -7.8934 -7.8881 -7.8881 -3.3126 -3.3126 -2.8318 -2.8318 -1.5567 -1.5567 -1.4878 -1.4878 -0.8679 -0.8679 -0.7896 -0.7896 2.9306 2.9306 3.8758 3.8758 4.2223 4.2223 4.3383 4.3383 4.4187 4.4187 4.4379 4.4379 4.6553 4.6553 5.0982 5.0982 5.1346 5.1346 5.8619 5.8619 5.9099 5.9099 6.0197 6.0197 6.0309 6.0309 6.0420 6.0420 7.5351 7.5351 7.5513 7.5513 7.7561 7.7561 8.1926 8.1926 8.2878 8.2878 8.4928 8.4928 8.5861 8.5861 8.7251 8.7251 9.0957 9.0957 9.1398 9.1398 10.3842 10.3842 10.4184 10.4184 11.0799 11.0799 11.1083 11.1083 14.8465 14.8465 14.8911 14.8911 15.2380 15.2380 15.4281 15.4281 k = 0.0000 0.0000 0.1065 ( 4862 PWs) bands (ev): -16.4326 -16.4326 -16.2390 -16.2390 -9.3248 -9.3248 -8.2900 -8.2900 -8.0654 -8.0654 -8.0478 -8.0478 -7.8940 -7.8940 -7.8887 -7.8887 -3.3099 -3.3099 -2.8363 -2.8363 -1.5547 -1.5547 -1.4821 -1.4821 -0.8751 -0.8751 -0.7969 -0.7969 2.9482 2.9482 3.8751 3.8751 4.2247 4.2247 4.3403 4.3403 4.4211 4.4211 4.4397 4.4397 4.6615 4.6615 5.0823 5.0823 5.1145 5.1145 5.8400 5.8400 5.8907 5.8907 6.0237 6.0237 6.0575 6.0575 6.0759 6.0759 7.5445 7.5445 7.5603 7.5603 7.7610 7.7610 8.2019 8.2019 8.2955 8.2955 8.4920 8.4920 8.5804 8.5804 8.7042 8.7042 9.0927 9.0927 9.1366 9.1366 10.3938 10.3938 10.4270 10.4270 11.0698 11.0698 11.0979 11.0979 14.8102 14.8102 14.8524 14.8524 15.2838 15.2838 15.4381 15.4381 k = 0.0000 0.0000 0.1242 ( 4868 PWs) bands (ev): -16.4308 -16.4308 -16.2401 -16.2401 -9.3193 -9.3193 -8.3013 -8.3013 -8.0636 -8.0636 -8.0461 -8.0461 -7.8946 -7.8946 -7.8894 -7.8894 -3.3067 -3.3067 -2.8415 -2.8415 -1.5522 -1.5522 -1.4754 -1.4754 -0.8836 -0.8836 -0.8053 -0.8053 2.9687 2.9687 3.8748 3.8748 4.2277 4.2277 4.3425 4.3425 4.4238 4.4238 4.4416 4.4416 4.6679 4.6679 5.0653 5.0653 5.0932 5.0932 5.8147 5.8147 5.8677 5.8677 6.0148 6.0148 6.0997 6.0997 6.1149 6.1149 7.5545 7.5545 7.5701 7.5701 7.7666 7.7666 8.2130 8.2130 8.3046 8.3046 8.4911 8.4911 8.5736 8.5736 8.6806 8.6806 9.0891 9.0891 9.1328 9.1328 10.4047 10.4047 10.4367 10.4367 11.0580 11.0580 11.0858 11.0858 14.7708 14.7708 14.8106 14.8106 15.3371 15.3371 15.4498 15.4498 k = 0.0000 0.0000 0.1420 ( 4862 PWs) bands (ev): -16.4288 -16.4288 -16.2414 -16.2414 -9.3129 -9.3129 -8.3141 -8.3141 -8.0615 -8.0615 -8.0443 -8.0443 -7.8954 -7.8954 -7.8902 -7.8902 -3.3031 -3.3031 -2.8474 -2.8474 -1.5494 -1.5494 -1.4679 -1.4679 -0.8931 -0.8931 -0.8147 -0.8147 2.9920 2.9920 3.8752 3.8752 4.2316 4.2316 4.3452 4.3452 4.4269 4.4269 4.4438 4.4438 4.6743 4.6743 5.0479 5.0479 5.0712 5.0712 5.7866 5.7866 5.8415 5.8415 6.0040 6.0040 6.1454 6.1454 6.1580 6.1580 7.5650 7.5650 7.5804 7.5804 7.7732 7.7732 8.2258 8.2258 8.3151 8.3151 8.4901 8.4901 8.5659 8.5659 8.6547 8.6547 9.0850 9.0850 9.1284 9.1284 10.4167 10.4167 10.4474 10.4474 11.0447 11.0447 11.0721 11.0721 14.7295 14.7295 14.7670 14.7670 15.3976 15.3976 15.4634 15.4634 k = 0.0000 0.0000 0.1597 ( 4844 PWs) bands (ev): -16.4265 -16.4265 -16.2429 -16.2429 -9.3056 -9.3056 -8.3285 -8.3285 -8.0591 -8.0591 -8.0421 -8.0421 -7.8963 -7.8963 -7.8911 -7.8911 -3.2991 -3.2991 -2.8540 -2.8540 -1.5461 -1.5461 -1.4596 -1.4596 -0.9038 -0.9038 -0.8252 -0.8252 3.0181 3.0181 3.8766 3.8766 4.2362 4.2362 4.3482 4.3482 4.4303 4.4303 4.4463 4.4463 4.6802 4.6802 5.0304 5.0304 5.0492 5.0492 5.7558 5.7558 5.8127 5.8127 5.9911 5.9911 6.1941 6.1941 6.2045 6.2045 7.5758 7.5758 7.5910 7.5910 7.7806 7.7806 8.2402 8.2402 8.3272 8.3272 8.4889 8.4889 8.5572 8.5572 8.6273 8.6273 9.0804 9.0804 9.1234 9.1234 10.4297 10.4297 10.4590 10.4590 11.0298 11.0298 11.0568 11.0568 14.6873 14.6873 14.7227 14.7227 15.4612 15.4617 15.4650 15.4650 k = 0.0000 0.0000 0.1775 ( 4844 PWs) bands (ev): -16.4240 -16.4240 -16.2445 -16.2445 -9.2975 -9.2975 -8.3443 -8.3443 -8.0565 -8.0565 -8.0398 -8.0398 -7.8973 -7.8973 -7.8922 -7.8922 -3.2947 -3.2947 -2.8612 -2.8612 -1.5424 -1.5424 -1.4505 -1.4505 -0.9156 -0.9156 -0.8366 -0.8366 3.0467 3.0467 3.8792 3.8792 4.2415 4.2415 4.3514 4.3514 4.4340 4.4340 4.4489 4.4489 4.6853 4.6853 5.0132 5.0132 5.0276 5.0276 5.7228 5.7228 5.7817 5.7817 5.9761 5.9761 6.2454 6.2454 6.2539 6.2539 7.5864 7.5864 7.6014 7.6014 7.7888 7.7888 8.2562 8.2562 8.3408 8.3408 8.4876 8.4876 8.5475 8.5475 8.5988 8.5988 9.0753 9.0753 9.1179 9.1179 10.4434 10.4434 10.4710 10.4710 11.0136 11.0136 11.0401 11.0401 14.6452 14.6452 14.6787 14.6787 15.4528 15.4528 15.4943 15.4943 k = 0.0000 0.0000 0.1952 ( 4844 PWs) bands (ev): -16.4212 -16.4212 -16.2464 -16.2464 -9.2886 -9.2886 -8.3614 -8.3614 -8.0537 -8.0537 -8.0372 -8.0372 -7.8985 -7.8985 -7.8933 -7.8933 -3.2898 -3.2898 -2.8691 -2.8691 -1.5383 -1.5383 -1.4407 -1.4407 -0.9283 -0.9283 -0.8488 -0.8488 3.0778 3.0778 3.8831 3.8831 4.2476 4.2476 4.3548 4.3548 4.4378 4.4378 4.4516 4.4516 4.6893 4.6893 4.9967 4.9967 5.0068 5.0068 5.6879 5.6879 5.7489 5.7489 5.9586 5.9586 6.2987 6.2987 6.3057 6.3057 7.5965 7.5965 7.6115 7.6115 7.7978 7.7978 8.2738 8.2738 8.3558 8.3558 8.4861 8.4861 8.5368 8.5368 8.5701 8.5701 9.0696 9.0696 9.1118 9.1118 10.4574 10.4574 10.4834 10.4834 10.9961 10.9961 11.0221 11.0221 14.6041 14.6041 14.6358 14.6358 15.4432 15.4432 15.5075 15.5075 k = 0.0000 0.0000 0.2129 ( 4856 PWs) bands (ev): -16.4182 -16.4182 -16.2483 -16.2483 -9.2789 -9.2789 -8.3798 -8.3798 -8.0507 -8.0507 -8.0345 -8.0345 -7.8998 -7.8998 -7.8946 -7.8946 -3.2847 -3.2847 -2.8775 -2.8775 -1.5337 -1.5337 -1.4304 -1.4304 -0.9420 -0.9420 -0.8617 -0.8617 3.1112 3.1112 3.8887 3.8887 4.2545 4.2545 4.3585 4.3585 4.4418 4.4418 4.4545 4.4545 4.6920 4.6920 4.9811 4.9811 4.9869 4.9869 5.6513 5.6513 5.7144 5.7144 5.9384 5.9384 6.3537 6.3537 6.3594 6.3594 7.6060 7.6060 7.6210 7.6210 7.8076 7.8076 8.2926 8.2926 8.3722 8.3722 8.4843 8.4843 8.5251 8.5251 8.5417 8.5417 9.0634 9.0634 9.1052 9.1052 10.4716 10.4716 10.4959 10.4959 10.9774 10.9774 11.0030 11.0030 14.5648 14.5648 14.5950 14.5950 15.4321 15.4321 15.5073 15.5073 k = 0.0000 0.0000 0.2307 ( 4862 PWs) bands (ev): -16.4150 -16.4150 -16.2505 -16.2505 -9.2683 -9.2683 -8.3993 -8.3993 -8.0474 -8.0474 -8.0316 -8.0316 -7.9012 -7.9012 -7.8960 -7.8960 -3.2792 -3.2792 -2.8865 -2.8865 -1.5287 -1.5287 -1.4196 -1.4196 -0.9565 -0.9565 -0.8752 -0.8752 3.1466 3.1466 3.8959 3.8959 4.2622 4.2622 4.3626 4.3626 4.4459 4.4459 4.4575 4.4575 4.6932 4.6932 4.9666 4.9666 4.9683 4.9683 5.6134 5.6134 5.6788 5.6788 5.9154 5.9154 6.4100 6.4100 6.4147 6.4147 7.6146 7.6146 7.6296 7.6296 7.8182 7.8182 8.3124 8.3124 8.3900 8.3900 8.4825 8.4825 8.5102 8.5102 8.5166 8.5166 9.0568 9.0568 9.0980 9.0980 10.4858 10.4858 10.5083 10.5083 10.9578 10.9578 10.9828 10.9828 14.5280 14.5280 14.5568 14.5568 15.4195 15.4195 15.4953 15.4953 k = 0.0000 0.0000 0.2484 ( 4862 PWs) bands (ev): -16.4116 -16.4116 -16.2528 -16.2528 -9.2569 -9.2569 -8.4200 -8.4200 -8.0439 -8.0439 -8.0284 -8.0284 -7.9027 -7.9027 -7.8976 -7.8976 -3.2733 -3.2733 -2.8959 -2.8959 -1.5231 -1.5231 -1.4083 -1.4083 -0.9718 -0.9718 -0.8893 -0.8893 3.1841 3.1841 3.9051 3.9051 4.2707 4.2707 4.3669 4.3669 4.4501 4.4501 4.4605 4.4605 4.6928 4.6928 4.9510 4.9510 4.9534 4.9534 5.5745 5.5745 5.6421 5.6421 5.8892 5.8892 6.4673 6.4673 6.4712 6.4712 7.6221 7.6221 7.6373 7.6373 7.8295 7.8295 8.3327 8.3327 8.4091 8.4091 8.4806 8.4806 8.4868 8.4868 8.5012 8.5012 9.0497 9.0497 9.0903 9.0903 10.4996 10.4996 10.5203 10.5203 10.9373 10.9373 10.9617 10.9617 14.4943 14.4943 14.5219 14.5219 15.4052 15.4052 15.4787 15.4787 k = 0.0000 0.0000 0.2662 ( 4850 PWs) bands (ev): -16.4080 -16.4080 -16.2553 -16.2553 -9.2446 -9.2446 -8.4416 -8.4416 -8.0403 -8.0403 -8.0251 -8.0251 -7.9044 -7.9044 -7.8993 -7.8993 -3.2671 -3.2671 -2.9058 -2.9058 -1.5171 -1.5171 -1.3966 -1.3966 -0.9878 -0.9878 -0.9038 -0.9038 3.2232 3.2232 3.9163 3.9163 4.2801 4.2801 4.3715 4.3715 4.4543 4.4543 4.4636 4.4636 4.6907 4.6907 4.9352 4.9352 4.9415 4.9415 5.5347 5.5347 5.6048 5.6048 5.8599 5.8599 6.5254 6.5254 6.5287 6.5287 7.6285 7.6285 7.6438 7.6438 7.8416 7.8416 8.3523 8.3523 8.4293 8.4293 8.4647 8.4647 8.4784 8.4784 8.4871 8.4871 9.0421 9.0421 9.0821 9.0821 10.5129 10.5129 10.5318 10.5318 10.9162 10.9162 10.9400 10.9400 14.4642 14.4642 14.4907 14.4907 15.3890 15.3890 15.4592 15.4592 k = 0.0000 0.0000 0.2839 ( 4880 PWs) bands (ev): -16.4042 -16.4042 -16.2580 -16.2580 -9.2316 -9.2316 -8.4641 -8.4641 -8.0365 -8.0365 -8.0217 -8.0217 -7.9063 -7.9063 -7.9011 -7.9011 -3.2607 -3.2607 -2.9161 -2.9161 -1.5106 -1.5106 -1.3847 -1.3847 -1.0045 -1.0045 -0.9187 -0.9187 3.2639 3.2639 3.9294 3.9294 4.2901 4.2901 4.3764 4.3764 4.4584 4.4584 4.4666 4.4666 4.6871 4.6871 4.9208 4.9208 4.9311 4.9311 5.4943 5.4943 5.5669 5.5669 5.8271 5.8271 6.5840 6.5840 6.5868 6.5868 7.6335 7.6335 7.6489 7.6489 7.8544 7.8544 8.3680 8.3680 8.4487 8.4487 8.4506 8.4506 8.4726 8.4726 8.4760 8.4760 9.0340 9.0340 9.0734 9.0734 10.5253 10.5253 10.5424 10.5424 10.8944 10.8944 10.9176 10.9176 14.4383 14.4383 14.4638 14.4638 15.3708 15.3708 15.4370 15.4370 k = 0.0000 0.0000 0.3017 ( 4844 PWs) bands (ev): -16.4003 -16.4003 -16.2608 -16.2608 -9.2178 -9.2178 -8.4874 -8.4874 -8.0325 -8.0325 -8.0181 -8.0181 -7.9082 -7.9082 -7.9030 -7.9030 -3.2539 -3.2539 -2.9267 -2.9267 -1.5035 -1.5035 -1.3724 -1.3724 -1.0216 -1.0216 -0.9338 -0.9338 3.3061 3.3061 3.9444 3.9444 4.3009 4.3009 4.3815 4.3815 4.4625 4.4625 4.4697 4.4697 4.6821 4.6821 4.9080 4.9080 4.9223 4.9223 5.4537 5.4537 5.5289 5.5289 5.7911 5.7911 6.6428 6.6428 6.6454 6.6454 7.6372 7.6372 7.6527 7.6527 7.8678 7.8678 8.3739 8.3739 8.4449 8.4449 8.4586 8.4586 8.4729 8.4729 8.4735 8.4735 9.0254 9.0254 9.0641 9.0641 10.5369 10.5369 10.5521 10.5521 10.8724 10.8724 10.8949 10.8949 14.4169 14.4169 14.4415 14.4415 15.3504 15.3504 15.4123 15.4123 k = 0.0000 0.0000 0.3194 ( 4844 PWs) bands (ev): -16.3962 -16.3962 -16.2638 -16.2638 -9.2031 -9.2031 -8.5114 -8.5114 -8.0284 -8.0284 -8.0144 -8.0144 -7.9104 -7.9104 -7.9051 -7.9051 -3.2469 -3.2469 -2.9376 -2.9376 -1.4959 -1.4959 -1.3600 -1.3600 -1.0393 -1.0393 -0.9491 -0.9491 3.3495 3.3495 3.9612 3.9612 4.3122 4.3122 4.3869 4.3869 4.4663 4.4663 4.4726 4.4726 4.6760 4.6760 4.8964 4.8964 4.9151 4.9151 5.4130 5.4130 5.4908 5.4908 5.7517 5.7517 6.7015 6.7015 6.7040 6.7040 7.6393 7.6393 7.6549 7.6549 7.8820 7.8820 8.3676 8.3676 8.4392 8.4392 8.4609 8.4609 8.4704 8.4704 8.4959 8.4959 9.0164 9.0164 9.0544 9.0544 10.5473 10.5473 10.5607 10.5607 10.8501 10.8501 10.8720 10.8720 14.4004 14.4004 14.4242 14.4242 15.3277 15.3277 15.3850 15.3850 k = 0.0000 0.0000 0.3372 ( 4850 PWs) bands (ev): -16.3919 -16.3919 -16.2669 -16.2669 -9.1877 -9.1877 -8.5360 -8.5360 -8.0241 -8.0241 -8.0105 -8.0105 -7.9126 -7.9126 -7.9073 -7.9073 -3.2395 -3.2395 -2.9488 -2.9488 -1.4877 -1.4877 -1.3475 -1.3475 -1.0573 -1.0573 -0.9645 -0.9645 3.3939 3.3939 3.9795 3.9795 4.3241 4.3241 4.3925 4.3925 4.4699 4.4699 4.4754 4.4754 4.6692 4.6692 4.8862 4.8862 4.9095 4.9095 5.3723 5.3723 5.4528 5.4528 5.7090 5.7090 6.7599 6.7599 6.7624 6.7624 7.6398 7.6398 7.6555 7.6555 7.8968 7.8968 8.3563 8.3563 8.4234 8.4234 8.4670 8.4670 8.4808 8.4808 8.5195 8.5195 9.0069 9.0069 9.0441 9.0441 10.5566 10.5566 10.5682 10.5682 10.8279 10.8279 10.8490 10.8490 14.3889 14.3889 14.4120 14.4120 15.3026 15.3026 15.3552 15.3552 k = 0.0000 0.0000 0.3549 ( 4850 PWs) bands (ev): -16.3875 -16.3875 -16.2702 -16.2702 -9.1715 -9.1715 -8.5611 -8.5611 -8.0198 -8.0198 -8.0066 -8.0066 -7.9151 -7.9151 -7.9097 -7.9097 -3.2320 -3.2320 -2.9602 -2.9602 -1.4790 -1.4790 -1.3349 -1.3349 -1.0757 -1.0757 -0.9800 -0.9800 3.4391 3.4391 3.9990 3.9990 4.3365 4.3365 4.3983 4.3983 4.4733 4.4733 4.4781 4.4781 4.6622 4.6622 4.8772 4.8772 4.9056 4.9056 5.3318 5.3318 5.4152 5.4152 5.6631 5.6631 6.8179 6.8179 6.8205 6.8205 7.6386 7.6386 7.6543 7.6543 7.9122 7.9122 8.3448 8.3448 8.4065 8.4065 8.4631 8.4631 8.5047 8.5047 8.5435 8.5435 8.9970 8.9970 9.0333 9.0333 10.5646 10.5646 10.5744 10.5744 10.8058 10.8058 10.8263 10.8263 14.3827 14.3827 14.4050 14.4050 15.2750 15.2750 15.3226 15.3226 k = 0.0000 0.0000 0.3726 ( 4844 PWs) bands (ev): -16.3830 -16.3830 -16.2736 -16.2736 -9.1546 -9.1546 -8.5867 -8.5867 -8.0153 -8.0153 -8.0025 -8.0025 -7.9177 -7.9177 -7.9122 -7.9122 -3.2241 -3.2241 -2.9717 -2.9717 -1.4696 -1.4696 -1.3222 -1.3222 -1.0943 -1.0943 -0.9955 -0.9955 3.4850 3.4850 4.0191 4.0191 4.3492 4.3492 4.4043 4.4043 4.4762 4.4762 4.4806 4.4806 4.6558 4.6558 4.8695 4.8695 4.9035 4.9035 5.2918 5.2918 5.3780 5.3780 5.6143 5.6143 6.8751 6.8751 6.8779 6.8779 7.6357 7.6357 7.6513 7.6513 7.9282 7.9282 8.3349 8.3349 8.3890 8.3890 8.4588 8.4588 8.5300 8.5300 8.5679 8.5679 8.9865 8.9865 9.0220 9.0220 10.5714 10.5714 10.5794 10.5794 10.7841 10.7841 10.8038 10.8038 14.3819 14.3819 14.4035 14.4035 15.2448 15.2448 15.2875 15.2875 k = 0.0000 0.0000 0.3904 ( 4844 PWs) bands (ev): -16.3784 -16.3784 -16.2772 -16.2772 -9.1369 -9.1369 -8.6126 -8.6126 -8.0108 -8.0108 -7.9984 -7.9984 -7.9204 -7.9204 -7.9148 -7.9148 -3.2160 -3.2160 -2.9834 -2.9834 -1.4598 -1.4598 -1.3095 -1.3095 -1.1131 -1.1131 -1.0109 -1.0109 3.5313 3.5313 4.0392 4.0392 4.3621 4.3621 4.4104 4.4104 4.4788 4.4788 4.4828 4.4828 4.6506 4.6506 4.8630 4.8630 4.9030 4.9030 5.2523 5.2523 5.3416 5.3416 5.5627 5.5627 6.9313 6.9313 6.9345 6.9345 7.6309 7.6309 7.6464 7.6464 7.9447 7.9447 8.3271 8.3271 8.3709 8.3709 8.4540 8.4540 8.5560 8.5560 8.5925 8.5925 8.9756 8.9756 9.0102 9.0102 10.5770 10.5770 10.5833 10.5833 10.7629 10.7629 10.7819 10.7819 14.3865 14.3865 14.4073 14.4073 15.2122 15.2122 15.2499 15.2499 k = 0.0000 0.0000 0.4081 ( 4844 PWs) bands (ev): -16.3737 -16.3737 -16.2810 -16.2810 -9.1185 -9.1185 -8.6387 -8.6387 -8.0062 -8.0062 -7.9943 -7.9943 -7.9233 -7.9233 -7.9176 -7.9176 -3.2076 -3.2076 -2.9952 -2.9952 -1.4493 -1.4493 -1.2968 -1.2968 -1.1319 -1.1319 -1.0262 -1.0262 3.5778 3.5778 4.0584 4.0584 4.3749 4.3749 4.4167 4.4167 4.4810 4.4810 4.4847 4.4847 4.6476 4.6476 4.8580 4.8580 4.9044 4.9044 5.2136 5.2136 5.3059 5.3059 5.5087 5.5087 6.9863 6.9863 6.9899 6.9899 7.6242 7.6242 7.6396 7.6396 7.9617 7.9617 8.3217 8.3217 8.3525 8.3525 8.4485 8.4485 8.5821 8.5821 8.6171 8.6171 8.9641 8.9641 8.9979 8.9979 10.5816 10.5816 10.5862 10.5862 10.7425 10.7425 10.7607 10.7607 14.3963 14.3963 14.4164 14.4164 15.1770 15.1770 15.2099 15.2099 k = 0.0000 0.0000 0.4259 ( 4844 PWs) bands (ev): -16.3690 -16.3690 -16.2849 -16.2849 -9.0993 -9.0993 -8.6651 -8.6651 -8.0016 -8.0016 -7.9900 -7.9900 -7.9264 -7.9264 -7.9205 -7.9205 -3.1990 -3.1990 -3.0070 -3.0070 -1.4382 -1.4382 -1.2841 -1.2841 -1.1508 -1.1508 -1.0414 -1.0414 3.6243 3.6243 4.0756 4.0756 4.3875 4.3875 4.4231 4.4231 4.4826 4.4826 4.4863 4.4863 4.6478 4.6478 4.8546 4.8546 4.9075 4.9075 5.1758 5.1758 5.2711 5.2711 5.4527 5.4527 7.0399 7.0399 7.0440 7.0440 7.6155 7.6155 7.6306 7.6306 7.9793 7.9793 8.3182 8.3182 8.3339 8.3339 8.4425 8.4425 8.6081 8.6081 8.6416 8.6416 8.9521 8.9521 8.9850 8.9850 10.5852 10.5852 10.5883 10.5883 10.7229 10.7229 10.7404 10.7404 14.4114 14.4114 14.4306 14.4306 15.1395 15.1395 15.1675 15.1675 k = 0.0000 0.0000 0.4436 ( 4856 PWs) bands (ev): -16.3641 -16.3641 -16.2889 -16.2889 -9.0795 -9.0795 -8.6915 -8.6915 -7.9969 -7.9969 -7.9858 -7.9858 -7.9296 -7.9296 -7.9236 -7.9236 -3.1901 -3.1901 -3.0188 -3.0188 -1.4265 -1.4265 -1.2714 -1.2714 -1.1697 -1.1697 -1.0564 -1.0564 3.6706 3.6706 4.0895 4.0895 4.3996 4.3996 4.4294 4.4294 4.4838 4.4838 4.4875 4.4875 4.6525 4.6525 4.8529 4.8529 4.9124 4.9124 5.1390 5.1390 5.2374 5.2374 5.3951 5.3951 7.0920 7.0920 7.0966 7.0966 7.6046 7.6046 7.6194 7.6194 7.9973 7.9973 8.3119 8.3119 8.3202 8.3202 8.4359 8.4359 8.6337 8.6337 8.6658 8.6658 8.9395 8.9395 8.9715 8.9715 10.5882 10.5882 10.5896 10.5896 10.7043 10.7043 10.7210 10.7210 14.4315 14.4315 14.4497 14.4497 15.0998 15.0998 15.1231 15.1231 k = 0.0000 0.0000 0.4614 ( 4856 PWs) bands (ev): -16.3592 -16.3592 -16.2930 -16.2930 -9.0590 -9.0590 -8.7180 -8.7180 -7.9923 -7.9923 -7.9815 -7.9815 -7.9330 -7.9330 -7.9267 -7.9267 -3.1810 -3.1810 -3.0306 -3.0306 -1.4143 -1.4143 -1.2587 -1.2587 -1.1885 -1.1885 -1.0712 -1.0712 3.7164 3.7164 4.0989 4.0989 4.4113 4.4113 4.4357 4.4357 4.4844 4.4844 4.4882 4.4882 4.6627 4.6627 4.8533 4.8533 4.9191 4.9191 5.1034 5.1034 5.2049 5.2049 5.3362 5.3362 7.1422 7.1422 7.1475 7.1475 7.5915 7.5915 7.6059 7.6059 8.0157 8.0157 8.2938 8.2938 8.3201 8.3201 8.4288 8.4288 8.6589 8.6589 8.6898 8.6898 8.9263 8.9263 8.9575 8.9575 10.5906 10.5906 10.5906 10.5906 10.6870 10.6870 10.7029 10.7029 14.4563 14.4563 14.4735 14.4735 15.0581 15.0581 15.0769 15.0769 k = 0.0000 0.0000 0.4791 ( 4862 PWs) bands (ev): -16.3543 -16.3543 -16.2973 -16.2973 -9.0378 -9.0378 -8.7444 -8.7444 -7.9876 -7.9876 -7.9773 -7.9773 -7.9365 -7.9365 -7.9301 -7.9301 -3.1716 -3.1716 -3.0424 -3.0424 -1.4014 -1.4014 -1.2460 -1.2460 -1.2071 -1.2071 -1.0857 -1.0857 3.7615 3.7615 4.1026 4.1026 4.4222 4.4222 4.4418 4.4418 4.4845 4.4845 4.4884 4.4884 4.6791 4.6791 4.8561 4.8561 4.9277 4.9277 5.0691 5.0691 5.1736 5.1736 5.2767 5.2767 7.1904 7.1904 7.1964 7.1964 7.5760 7.5760 7.5901 7.5901 8.0345 8.0345 8.2741 8.2741 8.3230 8.3230 8.4210 8.4210 8.6835 8.6835 8.7132 8.7132 8.9125 8.9125 8.9429 8.9429 10.5914 10.5914 10.5929 10.5929 10.6711 10.6711 10.6861 10.6861 14.4856 14.4856 14.5016 14.5016 15.0147 15.0147 15.0292 15.0292 k = 0.0000 0.0000 0.4969 ( 4856 PWs) bands (ev): -16.3494 -16.3494 -16.3016 -16.3016 -9.0160 -9.0160 -8.7707 -8.7707 -7.9829 -7.9829 -7.9730 -7.9730 -7.9402 -7.9402 -7.9335 -7.9335 -3.1620 -3.1620 -3.0540 -3.0540 -1.3880 -1.3880 -1.2332 -1.2332 -1.2254 -1.2254 -1.1001 -1.1001 3.8056 3.8056 4.1001 4.1001 4.4326 4.4326 4.4478 4.4478 4.4840 4.4840 4.4879 4.4879 4.7021 4.7021 4.8615 4.8615 4.9382 4.9382 5.0361 5.0361 5.1438 5.1438 5.2171 5.2171 7.2365 7.2365 7.2431 7.2431 7.5582 7.5582 7.5717 7.5717 8.0536 8.0536 8.2542 8.2542 8.3277 8.3277 8.4127 8.4127 8.7073 8.7073 8.7362 8.7362 8.8980 8.8980 8.9276 8.9276 10.5923 10.5923 10.5953 10.5953 10.6566 10.6566 10.6707 10.6707 14.5189 14.5189 14.5337 14.5337 14.9698 14.9698 14.9803 14.9803 k = 0.0000 0.0000 0.5146 ( 4856 PWs) bands (ev): -16.3444 -16.3444 -16.3061 -16.3061 -8.9936 -8.9936 -8.7969 -8.7969 -7.9783 -7.9783 -7.9688 -7.9688 -7.9440 -7.9440 -7.9370 -7.9370 -3.1521 -3.1521 -3.0656 -3.0656 -1.3739 -1.3739 -1.2436 -1.2436 -1.2205 -1.2205 -1.1142 -1.1142 3.8483 3.8483 4.0911 4.0911 4.4424 4.4424 4.4535 4.4535 4.4829 4.4829 4.4867 4.4867 4.7312 4.7312 4.8700 4.8700 4.9505 4.9505 5.0046 5.0046 5.1155 5.1155 5.1580 5.1580 7.2803 7.2803 7.2877 7.2877 7.5379 7.5379 7.5509 7.5509 8.0730 8.0730 8.2341 8.2341 8.3337 8.3337 8.4040 8.4040 8.7304 8.7304 8.7586 8.7586 8.8828 8.8828 8.9117 8.9117 10.5936 10.5936 10.5979 10.5979 10.6436 10.6436 10.6568 10.6568 14.5559 14.5559 14.5692 14.5692 14.9238 14.9238 14.9306 14.9306 k = 0.0000 0.0000 0.5324 ( 4868 PWs) bands (ev): -16.3395 -16.3395 -16.3107 -16.3107 -8.9706 -8.9706 -8.8228 -8.8228 -7.9737 -7.9737 -7.9646 -7.9646 -7.9479 -7.9479 -7.9407 -7.9407 -3.1420 -3.1420 -3.0771 -3.0771 -1.3594 -1.3594 -1.2614 -1.2614 -1.2077 -1.2077 -1.1281 -1.1281 3.8895 3.8895 4.0758 4.0758 4.4513 4.4513 4.4588 4.4588 4.4811 4.4811 4.4847 4.4847 4.7657 4.7657 4.8822 4.8822 4.9647 4.9647 4.9742 4.9742 5.0887 5.0887 5.1005 5.1005 7.3216 7.3216 7.3298 7.3298 7.5149 7.5149 7.5273 7.5273 8.0927 8.0927 8.2138 8.2138 8.3409 8.3409 8.3950 8.3950 8.7526 8.7526 8.7802 8.7802 8.8668 8.8668 8.8951 8.8951 10.5956 10.5956 10.6012 10.6012 10.6322 10.6322 10.6445 10.6445 14.5962 14.5962 14.6078 14.6078 14.8771 14.8771 14.8805 14.8805 k = 0.0000 0.0000 0.5501 ( 4862 PWs) bands (ev): -16.3346 -16.3346 -16.3153 -16.3153 -8.9471 -8.9471 -8.8484 -8.8484 -7.9692 -7.9692 -7.9604 -7.9604 -7.9519 -7.9519 -7.9445 -7.9445 -3.1317 -3.1317 -3.0884 -3.0884 -1.3443 -1.3443 -1.2788 -1.2788 -1.1947 -1.1947 -1.1418 -1.1418 3.9286 3.9286 4.0549 4.0549 4.4595 4.4595 4.4638 4.4638 4.4788 4.4788 4.4818 4.4818 4.8040 4.8040 4.8988 4.8988 4.9446 4.9446 4.9808 4.9808 5.0456 5.0456 5.0636 5.0636 7.3605 7.3605 7.3694 7.3694 7.4894 7.4894 7.5012 7.5012 8.1126 8.1126 8.1935 8.1935 8.3490 8.3490 8.3858 8.3858 8.7739 8.7739 8.8012 8.8012 8.8499 8.8499 8.8778 8.8778 10.5984 10.5984 10.6053 10.6053 10.6224 10.6224 10.6337 10.6337 14.6393 14.6393 14.6491 14.6491 14.8302 14.8302 14.8304 14.8304 k = 0.0000 0.0000 0.5678 ( 4874 PWs) bands (ev): -16.3297 -16.3297 -16.3200 -16.3200 -8.9231 -8.9231 -8.8737 -8.8737 -7.9648 -7.9648 -7.9563 -7.9563 -7.9561 -7.9561 -7.9483 -7.9483 -3.1212 -3.1212 -3.0995 -3.0995 -1.3286 -1.3286 -1.2959 -1.2959 -1.1817 -1.1817 -1.1553 -1.1553 3.9652 3.9652 4.0290 4.0290 4.4667 4.4667 4.4683 4.4683 4.4758 4.4758 4.4778 4.4778 4.8437 4.8437 4.9144 4.9144 4.9217 4.9217 4.9955 4.9955 4.9988 4.9988 5.0402 5.0402 7.3967 7.3967 7.4063 7.4063 7.4612 7.4612 7.4723 7.4723 8.1327 8.1327 8.1732 8.1732 8.3577 8.3577 8.3763 8.3763 8.7942 8.7942 8.8215 8.8215 8.8323 8.8323 8.8598 8.8598 10.6023 10.6023 10.6104 10.6104 10.6142 10.6142 10.6245 10.6245 14.6847 14.6847 14.6924 14.6924 14.7808 14.7808 14.7834 14.7834 k = 0.0000 0.0000 0.5856 ( 4868 PWs) bands (ev): -16.3248 -16.3248 -16.3248 -16.3248 -8.8986 -8.8986 -8.8986 -8.8986 -7.9604 -7.9604 -7.9604 -7.9604 -7.9523 -7.9523 -7.9523 -7.9523 -3.1104 -3.1104 -3.1104 -3.1104 -1.3125 -1.3125 -1.3125 -1.3125 -1.1686 -1.1686 -1.1686 -1.1686 3.9989 3.9989 3.9989 3.9989 4.4723 4.4723 4.4723 4.4723 4.4728 4.4728 4.4728 4.4728 4.8812 4.8812 4.8812 4.8812 4.9535 4.9535 4.9535 4.9535 5.0186 5.0186 5.0186 5.0186 7.4303 7.4303 7.4303 7.4303 7.4407 7.4407 7.4407 7.4407 8.1529 8.1529 8.1529 8.1529 8.3669 8.3669 8.3669 8.3669 8.8137 8.8137 8.8137 8.8137 8.8410 8.8410 8.8410 8.8410 10.6076 10.6076 10.6076 10.6076 10.6167 10.6167 10.6167 10.6167 14.7320 14.7320 14.7320 14.7320 14.7374 14.7374 14.7374 14.7374 k = 0.0000 0.0000 0.5856 ( 4868 PWs) bands (ev): -16.3248 -16.3248 -16.3248 -16.3248 -8.8986 -8.8986 -8.8986 -8.8986 -7.9604 -7.9604 -7.9604 -7.9604 -7.9523 -7.9523 -7.9523 -7.9523 -3.1104 -3.1104 -3.1104 -3.1104 -1.3125 -1.3125 -1.3125 -1.3125 -1.1686 -1.1686 -1.1686 -1.1686 3.9989 3.9989 3.9989 3.9989 4.4723 4.4723 4.4723 4.4723 4.4728 4.4728 4.4728 4.4728 4.8812 4.8812 4.8812 4.8812 4.9535 4.9535 4.9535 4.9535 5.0186 5.0186 5.0186 5.0186 7.4303 7.4303 7.4303 7.4303 7.4407 7.4407 7.4407 7.4407 8.1529 8.1529 8.1529 8.1529 8.3669 8.3669 8.3669 8.3669 8.8137 8.8137 8.8137 8.8137 8.8410 8.8410 8.8410 8.8410 10.6076 10.6076 10.6076 10.6076 10.6167 10.6167 10.6167 10.6167 14.7320 14.7320 14.7320 14.7320 14.7374 14.7374 14.7374 14.7374 k = 0.0152 0.0087 0.5856 ( 4868 PWs) bands (ev): -16.3248 -16.3248 -16.3248 -16.3248 -8.8987 -8.8987 -8.8986 -8.8986 -7.9607 -7.9607 -7.9605 -7.9605 -7.9525 -7.9525 -7.9525 -7.9525 -3.1109 -3.1109 -3.1090 -3.1090 -1.3118 -1.3118 -1.3118 -1.3118 -1.1692 -1.1692 -1.1667 -1.1667 3.9984 3.9984 4.0000 4.0000 4.4707 4.4707 4.4719 4.4719 4.4730 4.4730 4.4743 4.4743 4.8721 4.8721 4.8891 4.8891 4.9449 4.9449 4.9604 4.9604 5.0189 5.0189 5.0190 5.0190 7.4291 7.4291 7.4301 7.4301 7.4400 7.4400 7.4400 7.4400 8.1516 8.1516 8.1517 8.1517 8.3667 8.3667 8.3677 8.3677 8.8125 8.8125 8.8140 8.8140 8.8404 8.8404 8.8405 8.8405 10.6067 10.6067 10.6076 10.6076 10.6163 10.6163 10.6164 10.6164 14.7331 14.7331 14.7345 14.7345 14.7393 14.7393 14.7394 14.7394 k = 0.0303 0.0175 0.5856 ( 4864 PWs) bands (ev): -16.3247 -16.3247 -16.3247 -16.3247 -8.8988 -8.8988 -8.8987 -8.8987 -7.9616 -7.9616 -7.9611 -7.9611 -7.9532 -7.9532 -7.9532 -7.9532 -3.1103 -3.1103 -3.1066 -3.1066 -1.3100 -1.3100 -1.3100 -1.3100 -1.1685 -1.1685 -1.1635 -1.1635 3.9983 3.9983 4.0015 4.0015 4.4685 4.4685 4.4712 4.4712 4.4737 4.4737 4.4757 4.4757 4.8620 4.8620 4.8954 4.8954 4.9353 4.9353 4.9653 4.9653 5.0196 5.0196 5.0203 5.0203 7.4265 7.4265 7.4286 7.4286 7.4381 7.4381 7.4384 7.4384 8.1479 8.1479 8.1480 8.1480 8.3670 8.3670 8.3689 8.3689 8.8103 8.8103 8.8134 8.8134 8.8388 8.8388 8.8391 8.8391 10.6047 10.6047 10.6068 10.6068 10.6153 10.6153 10.6156 10.6156 14.7374 14.7374 14.7405 14.7405 14.7451 14.7451 14.7456 14.7456 k = 0.0455 0.0262 0.5856 ( 4860 PWs) bands (ev): -16.3246 -16.3246 -16.3246 -16.3246 -8.8990 -8.8990 -8.8988 -8.8988 -7.9630 -7.9630 -7.9623 -7.9623 -7.9543 -7.9543 -7.9542 -7.9542 -3.1087 -3.1087 -3.1032 -3.1032 -1.3069 -1.3069 -1.3068 -1.3068 -1.1666 -1.1666 -1.1590 -1.1590 3.9987 3.9987 4.0035 4.0035 4.4659 4.4659 4.4705 4.4705 4.4743 4.4743 4.4768 4.4768 4.8510 4.8510 4.8989 4.8989 4.9259 4.9259 4.9678 4.9678 5.0208 5.0208 5.0227 5.0227 7.4220 7.4220 7.4254 7.4254 7.4355 7.4355 7.4363 7.4363 8.1418 8.1418 8.1420 8.1420 8.3677 8.3677 8.3706 8.3706 8.8066 8.8066 8.8116 8.8116 8.8365 8.8365 8.8373 8.8373 10.6012 10.6012 10.6046 10.6046 10.6139 10.6139 10.6146 10.6146 14.7447 14.7447 14.7497 14.7497 14.7552 14.7552 14.7563 14.7563 k = 0.0606 0.0350 0.5856 ( 4856 PWs) bands (ev): -16.3244 -16.3244 -16.3244 -16.3244 -8.8993 -8.8993 -8.8990 -8.8990 -7.9652 -7.9652 -7.9641 -7.9641 -7.9555 -7.9555 -7.9553 -7.9553 -3.1061 -3.1061 -3.0989 -3.0989 -1.3027 -1.3027 -1.3025 -1.3025 -1.1633 -1.1633 -1.1532 -1.1532 3.9996 3.9996 4.0060 4.0060 4.4630 4.4630 4.4696 4.4696 4.4751 4.4751 4.4777 4.4777 4.8391 4.8391 4.8961 4.8961 4.9202 4.9202 4.9682 4.9682 5.0223 5.0223 5.0262 5.0262 7.4153 7.4153 7.4199 7.4199 7.4327 7.4327 7.4338 7.4338 8.1334 8.1334 8.1337 8.1337 8.3690 8.3690 8.3726 8.3726 8.8009 8.8009 8.8082 8.8082 8.8339 8.8339 8.8356 8.8356 10.5962 10.5962 10.6008 10.6008 10.6126 10.6126 10.6138 10.6138 14.7549 14.7549 14.7615 14.7615 14.7699 14.7699 14.7713 14.7713 k = 0.0758 0.0437 0.5856 ( 4850 PWs) bands (ev): -16.3241 -16.3241 -16.3241 -16.3241 -8.8996 -8.8996 -8.8993 -8.8993 -7.9682 -7.9682 -7.9668 -7.9668 -7.9568 -7.9568 -7.9566 -7.9566 -3.1026 -3.1026 -3.0937 -3.0937 -1.2975 -1.2975 -1.2972 -1.2972 -1.1586 -1.1586 -1.1460 -1.1460 4.0010 4.0010 4.0089 4.0089 4.4597 4.4597 4.4683 4.4683 4.4759 4.4759 4.4785 4.4785 4.8263 4.8263 4.8858 4.8858 4.9196 4.9196 4.9666 4.9666 5.0241 5.0241 5.0305 5.0305 7.4065 7.4065 7.4121 7.4121 7.4298 7.4298 7.4311 7.4311 8.1229 8.1229 8.1233 8.1233 8.3707 8.3707 8.3751 8.3751 8.7932 8.7932 8.8026 8.8026 8.8317 8.8317 8.8342 8.8342 10.5896 10.5896 10.5953 10.5953 10.6116 10.6116 10.6130 10.6130 14.7681 14.7681 14.7761 14.7761 14.7889 14.7889 14.7906 14.7906 k = 0.0909 0.0525 0.5856 ( 4850 PWs) bands (ev): -16.3238 -16.3238 -16.3238 -16.3238 -8.9000 -8.9000 -8.8997 -8.8997 -7.9719 -7.9719 -7.9703 -7.9703 -7.9581 -7.9581 -7.9578 -7.9578 -3.0982 -3.0982 -3.0876 -3.0876 -1.2913 -1.2913 -1.2908 -1.2908 -1.1526 -1.1526 -1.1376 -1.1376 4.0028 4.0028 4.0123 4.0123 4.4561 4.4561 4.4666 4.4666 4.4768 4.4768 4.4792 4.4792 4.8128 4.8128 4.8715 4.8715 4.9205 4.9205 4.9634 4.9634 5.0265 5.0265 5.0355 5.0355 7.3958 7.3958 7.4022 7.4022 7.4267 7.4267 7.4281 7.4281 8.1106 8.1106 8.1109 8.1109 8.3729 8.3729 8.3779 8.3779 8.7834 8.7834 8.7946 8.7946 8.8301 8.8301 8.8331 8.8331 10.5815 10.5815 10.5881 10.5881 10.6107 10.6107 10.6122 10.6122 14.7843 14.7843 14.7937 14.7937 14.8119 14.8119 14.8137 14.8137 k = 0.1061 0.0612 0.5856 ( 4834 PWs) bands (ev): -16.3234 -16.3234 -16.3234 -16.3234 -8.9005 -8.9005 -8.9000 -8.9000 -7.9764 -7.9764 -7.9747 -7.9747 -7.9594 -7.9594 -7.9591 -7.9591 -3.0929 -3.0929 -3.0808 -3.0808 -1.2842 -1.2842 -1.2835 -1.2835 -1.1452 -1.1452 -1.1278 -1.1278 4.0050 4.0050 4.0160 4.0160 4.4521 4.4521 4.4644 4.4644 4.4779 4.4779 4.4800 4.4800 4.7987 4.7987 4.8552 4.8552 4.9209 4.9209 4.9589 4.9589 5.0295 5.0295 5.0407 5.0407 7.3833 7.3833 7.3904 7.3904 7.4232 7.4232 7.4246 7.4246 8.0965 8.0965 8.0969 8.0969 8.3755 8.3755 8.3810 8.3810 8.7717 8.7717 8.7844 8.7844 8.8291 8.8291 8.8325 8.8325 10.5722 10.5722 10.5795 10.5795 10.6099 10.6099 10.6115 10.6115 14.8035 14.8035 14.8142 14.8142 14.8385 14.8386 14.8405 14.8405 k = 0.1212 0.0700 0.5856 ( 4834 PWs) bands (ev): -16.3230 -16.3230 -16.3230 -16.3230 -8.9010 -8.9010 -8.9005 -8.9005 -7.9816 -7.9816 -7.9797 -7.9797 -7.9607 -7.9607 -7.9604 -7.9604 -3.0867 -3.0867 -3.0732 -3.0732 -1.2764 -1.2764 -1.2754 -1.2754 -1.1363 -1.1363 -1.1167 -1.1167 4.0076 4.0076 4.0200 4.0200 4.4478 4.4478 4.4614 4.4614 4.4790 4.4790 4.4808 4.4808 4.7839 4.7839 4.8376 4.8376 4.9202 4.9202 4.9533 4.9533 5.0331 5.0331 5.0461 5.0461 7.3693 7.3693 7.3768 7.3768 7.4193 7.4193 7.4207 7.4207 8.0809 8.0809 8.0815 8.0815 8.3784 8.3784 8.3843 8.3843 8.7583 8.7583 8.7724 8.7724 8.8285 8.8285 8.8320 8.8320 10.5616 10.5616 10.5697 10.5697 10.6089 10.6089 10.6106 10.6106 14.8258 14.8258 14.8377 14.8377 14.8687 14.8687 14.8708 14.8708 k = 0.1364 0.0787 0.5856 ( 4848 PWs) bands (ev): -16.3225 -16.3225 -16.3225 -16.3225 -8.9015 -8.9015 -8.9010 -8.9010 -7.9874 -7.9874 -7.9853 -7.9853 -7.9621 -7.9621 -7.9618 -7.9618 -3.0798 -3.0798 -3.0651 -3.0651 -1.2680 -1.2680 -1.2668 -1.2668 -1.1260 -1.1260 -1.1044 -1.1044 4.0105 4.0105 4.0243 4.0243 4.4430 4.4430 4.4577 4.4577 4.4802 4.4802 4.4816 4.4816 4.7687 4.7687 4.8189 4.8189 4.9182 4.9182 4.9469 4.9469 5.0373 5.0373 5.0516 5.0516 7.3538 7.3538 7.3618 7.3618 7.4149 7.4149 7.4164 7.4164 8.0642 8.0642 8.0648 8.0648 8.3816 8.3816 8.3877 8.3877 8.7435 8.7435 8.7589 8.7589 8.8281 8.8281 8.8317 8.8317 10.5499 10.5499 10.5586 10.5586 10.6079 10.6079 10.6096 10.6096 14.8510 14.8510 14.8641 14.8641 14.9019 14.9019 14.9042 14.9042 k = 0.1515 0.0875 0.5856 ( 4852 PWs) bands (ev): -16.3220 -16.3220 -16.3220 -16.3220 -8.9021 -8.9021 -8.9015 -8.9015 -7.9937 -7.9937 -7.9915 -7.9915 -7.9635 -7.9635 -7.9633 -7.9633 -3.0722 -3.0722 -3.0563 -3.0563 -1.2591 -1.2591 -1.2577 -1.2577 -1.1143 -1.1143 -1.0907 -1.0907 4.0137 4.0137 4.0289 4.0289 4.4378 4.4378 4.4531 4.4531 4.4815 4.4815 4.4826 4.4826 4.7530 4.7530 4.7994 4.7994 4.9150 4.9150 4.9397 4.9397 5.0421 5.0421 5.0573 5.0573 7.3371 7.3371 7.3455 7.3455 7.4100 7.4100 7.4115 7.4115 8.0466 8.0466 8.0473 8.0473 8.3851 8.3851 8.3912 8.3912 8.7276 8.7276 8.7441 8.7441 8.8277 8.8277 8.8314 8.8314 10.5373 10.5373 10.5466 10.5466 10.6068 10.6068 10.6086 10.6086 14.8791 14.8791 14.8934 14.8934 14.9380 14.9380 14.9403 14.9403 k = 0.1667 0.0962 0.5856 ( 4860 PWs) bands (ev): -16.3215 -16.3215 -16.3215 -16.3215 -8.9027 -8.9027 -8.9021 -8.9021 -8.0004 -8.0004 -7.9981 -7.9981 -7.9650 -7.9650 -7.9648 -7.9648 -3.0641 -3.0641 -3.0472 -3.0472 -1.2499 -1.2499 -1.2483 -1.2483 -1.1011 -1.1011 -1.0759 -1.0759 4.0172 4.0172 4.0337 4.0337 4.4321 4.4321 4.4475 4.4475 4.4828 4.4828 4.4837 4.4837 4.7372 4.7372 4.7793 4.7793 4.9106 4.9106 4.9318 4.9318 5.0476 5.0476 5.0630 5.0630 7.3193 7.3193 7.3280 7.3280 7.4046 7.4046 7.4060 7.4061 8.0283 8.0283 8.0291 8.0291 8.3887 8.3887 8.3947 8.3947 8.7107 8.7107 8.7284 8.7284 8.8274 8.8274 8.8311 8.8311 10.5239 10.5239 10.5336 10.5336 10.6056 10.6056 10.6074 10.6074 14.9101 14.9101 14.9255 14.9255 14.9765 14.9765 14.9790 14.9790 k = 0.1818 0.1050 0.5856 ( 4870 PWs) bands (ev): -16.3209 -16.3209 -16.3209 -16.3209 -8.9034 -8.9034 -8.9027 -8.9027 -8.0075 -8.0075 -8.0052 -8.0052 -7.9666 -7.9666 -7.9664 -7.9664 -3.0553 -3.0553 -3.0376 -3.0376 -1.2404 -1.2404 -1.2386 -1.2386 -1.0865 -1.0865 -1.0599 -1.0599 4.0209 4.0209 4.0386 4.0386 4.4260 4.4260 4.4410 4.4410 4.4843 4.4843 4.4850 4.4850 4.7212 4.7212 4.7588 4.7588 4.9050 4.9050 4.9233 4.9233 5.0536 5.0536 5.0689 5.0689 7.3006 7.3006 7.3094 7.3094 7.3986 7.3986 7.4001 7.4001 8.0096 8.0096 8.0105 8.0105 8.3925 8.3925 8.3981 8.3981 8.6932 8.6932 8.7120 8.7120 8.8270 8.8270 8.8307 8.8307 10.5097 10.5097 10.5198 10.5198 10.6043 10.6043 10.6061 10.6061 14.9439 14.9439 14.9603 14.9603 15.0171 15.0171 15.0197 15.0197 k = 0.1970 0.1137 0.5856 ( 4862 PWs) bands (ev): -16.3203 -16.3203 -16.3203 -16.3203 -8.9040 -8.9040 -8.9034 -8.9034 -8.0149 -8.0149 -8.0125 -8.0125 -7.9682 -7.9682 -7.9680 -7.9680 -3.0461 -3.0461 -3.0277 -3.0277 -1.2307 -1.2307 -1.2289 -1.2289 -1.0707 -1.0707 -1.0430 -1.0430 4.0248 4.0248 4.0435 4.0435 4.4193 4.4193 4.4334 4.4334 4.4859 4.4859 4.4864 4.4864 4.7054 4.7054 4.7380 4.7380 4.8986 4.8986 4.9142 4.9142 5.0602 5.0602 5.0749 5.0749 7.2812 7.2812 7.2901 7.2901 7.3922 7.3922 7.3937 7.3937 7.9908 7.9908 7.9917 7.9917 8.3962 8.3962 8.4013 8.4013 8.6754 8.6754 8.6953 8.6953 8.8266 8.8266 8.8304 8.8304 10.4950 10.4950 10.5055 10.5055 10.6028 10.6028 10.6047 10.6047 14.9803 14.9803 14.9978 14.9978 15.0596 15.0596 15.0623 15.0623 k = 0.2121 0.1225 0.5856 ( 4862 PWs) bands (ev): -16.3197 -16.3197 -16.3197 -16.3197 -8.9047 -8.9047 -8.9040 -8.9040 -8.0226 -8.0226 -8.0201 -8.0201 -7.9698 -7.9698 -7.9696 -7.9696 -3.0366 -3.0366 -3.0177 -3.0177 -1.2209 -1.2209 -1.2191 -1.2191 -1.0536 -1.0536 -1.0251 -1.0251 4.0287 4.0287 4.0485 4.0485 4.4121 4.4121 4.4246 4.4246 4.4875 4.4875 4.4879 4.4879 4.6898 4.6898 4.7172 4.7172 4.8912 4.8912 4.9048 4.9048 5.0671 5.0671 5.0811 5.0811 7.2612 7.2612 7.2702 7.2702 7.3852 7.3852 7.3868 7.3868 7.9722 7.9722 7.9731 7.9731 8.3998 8.3998 8.4042 8.4042 8.6575 8.6575 8.6784 8.6784 8.8262 8.8262 8.8299 8.8299 10.4798 10.4798 10.4905 10.4905 10.6013 10.6013 10.6032 10.6032 15.0193 15.0193 15.0377 15.0377 15.1034 15.1034 15.1061 15.1061 k = 0.2273 0.1312 0.5856 ( 4858 PWs) bands (ev): -16.3191 -16.3191 -16.3191 -16.3191 -8.9054 -8.9054 -8.9047 -8.9047 -8.0304 -8.0304 -8.0279 -8.0279 -7.9715 -7.9715 -7.9713 -7.9713 -3.0268 -3.0268 -3.0075 -3.0075 -1.2111 -1.2111 -1.2094 -1.2094 -1.0356 -1.0356 -1.0065 -1.0065 4.0327 4.0327 4.0534 4.0534 4.4042 4.4042 4.4147 4.4147 4.4892 4.4892 4.4896 4.4896 4.6746 4.6746 4.6967 4.6967 4.8831 4.8831 4.8949 4.8949 5.0744 5.0744 5.0875 5.0875 7.2408 7.2408 7.2497 7.2497 7.3779 7.3779 7.3794 7.3794 7.9539 7.9539 7.9549 7.9549 8.4031 8.4031 8.4065 8.4065 8.6397 8.6397 8.6616 8.6616 8.8257 8.8257 8.8294 8.8294 10.4644 10.4644 10.4752 10.4752 10.5997 10.5997 10.6016 10.6016 15.0607 15.0607 15.0800 15.0800 15.1482 15.1482 15.1510 15.1510 k = 0.2424 0.1400 0.5856 ( 4858 PWs) bands (ev): -16.3185 -16.3185 -16.3185 -16.3185 -8.9061 -8.9061 -8.9053 -8.9053 -8.0383 -8.0383 -8.0358 -8.0358 -7.9732 -7.9732 -7.9730 -7.9730 -3.0168 -3.0168 -2.9973 -2.9973 -1.2014 -1.2014 -1.1999 -1.1999 -1.0166 -1.0166 -0.9873 -0.9873 4.0367 4.0367 4.0581 4.0581 4.3957 4.3957 4.4038 4.4038 4.4910 4.4910 4.4914 4.4914 4.6600 4.6600 4.6767 4.6767 4.8744 4.8744 4.8847 4.8847 5.0820 5.0820 5.0940 5.0940 7.2202 7.2202 7.2290 7.2290 7.3701 7.3701 7.3716 7.3716 7.9361 7.9361 7.9372 7.9372 8.4059 8.4059 8.4083 8.4083 8.6224 8.6224 8.6453 8.6453 8.8251 8.8251 8.8287 8.8287 10.4488 10.4488 10.4597 10.4597 10.5980 10.5980 10.5999 10.5999 15.1044 15.1044 15.1245 15.1245 15.1937 15.1937 15.1965 15.1965 k = 0.2576 0.1487 0.5856 ( 4862 PWs) bands (ev): -16.3178 -16.3178 -16.3178 -16.3178 -8.9067 -8.9067 -8.9060 -8.9060 -8.0462 -8.0462 -8.0437 -8.0437 -7.9749 -7.9749 -7.9747 -7.9747 -3.0067 -3.0067 -2.9873 -2.9873 -1.1918 -1.1918 -1.1905 -1.1905 -0.9970 -0.9970 -0.9678 -0.9678 4.0406 4.0406 4.0627 4.0627 4.3864 4.3864 4.3919 4.3919 4.4928 4.4928 4.4933 4.4933 4.6461 4.6461 4.6575 4.6575 4.8652 4.8652 4.8743 4.8743 5.0898 5.0898 5.1008 5.1008 7.1996 7.1996 7.2082 7.2082 7.3619 7.3619 7.3634 7.3634 7.9190 7.9190 7.9201 7.9201 8.4081 8.4081 8.4092 8.4092 8.6060 8.6060 8.6298 8.6298 8.8244 8.8244 8.8280 8.8280 10.4331 10.4331 10.4440 10.4440 10.5963 10.5963 10.5981 10.5981 15.1501 15.1501 15.1709 15.1709 15.2394 15.2394 15.2422 15.2422 k = 0.2727 0.1575 0.5856 ( 4860 PWs) bands (ev): -16.3172 -16.3172 -16.3172 -16.3172 -8.9074 -8.9074 -8.9067 -8.9067 -8.0540 -8.0540 -8.0515 -8.0515 -7.9765 -7.9765 -7.9764 -7.9764 -2.9966 -2.9966 -2.9773 -2.9773 -1.1825 -1.1825 -1.1814 -1.1814 -0.9769 -0.9769 -0.9480 -0.9480 4.0444 4.0444 4.0669 4.0669 4.3765 4.3765 4.3792 4.3792 4.4946 4.4946 4.4954 4.4954 4.6330 4.6330 4.6394 4.6394 4.8556 4.8556 4.8637 4.8637 5.0978 5.0978 5.1077 5.1077 7.1791 7.1791 7.1875 7.1875 7.3534 7.3534 7.3549 7.3549 7.9028 7.9028 7.9040 7.9040 8.4092 8.4092 8.4093 8.4093 8.5909 8.5909 8.6154 8.6154 8.8237 8.8237 8.8273 8.8273 10.4176 10.4176 10.4284 10.4284 10.5945 10.5945 10.5963 10.5963 15.1977 15.1977 15.2191 15.2191 15.2850 15.2850 15.2877 15.2877 k = 0.2879 0.1662 0.5856 ( 4860 PWs) bands (ev): -16.3166 -16.3166 -16.3166 -16.3165 -8.9080 -8.9080 -8.9073 -8.9073 -8.0617 -8.0617 -8.0593 -8.0593 -7.9782 -7.9782 -7.9780 -7.9780 -2.9866 -2.9866 -2.9677 -2.9677 -1.1734 -1.1734 -1.1725 -1.1725 -0.9566 -0.9566 -0.9283 -0.9283 4.0480 4.0480 4.0707 4.0707 4.3658 4.3658 4.3659 4.3659 4.4963 4.4963 4.4975 4.4975 4.6207 4.6207 4.6226 4.6226 4.8457 4.8457 4.8530 4.8530 5.1059 5.1059 5.1147 5.1147 7.1590 7.1590 7.1671 7.1671 7.3448 7.3448 7.3462 7.3462 7.8876 7.8876 7.8888 7.8888 8.4080 8.4080 8.4093 8.4093 8.5774 8.5774 8.6024 8.6024 8.8229 8.8229 8.8264 8.8264 10.4024 10.4024 10.4129 10.4129 10.5928 10.5928 10.5945 10.5945 15.2468 15.2468 15.2686 15.2686 15.3303 15.3303 15.3328 15.3328 k = 0.3030 0.1750 0.5856 ( 4848 PWs) bands (ev): -16.3159 -16.3159 -16.3159 -16.3159 -8.9087 -8.9087 -8.9080 -8.9080 -8.0691 -8.0691 -8.0668 -8.0668 -7.9798 -7.9798 -7.9797 -7.9797 -2.9767 -2.9767 -2.9584 -2.9584 -1.1646 -1.1646 -1.1640 -1.1640 -0.9362 -0.9362 -0.9088 -0.9088 4.0514 4.0514 4.0741 4.0741 4.3521 4.3521 4.3547 4.3547 4.4980 4.4980 4.4997 4.4997 4.6073 4.6073 4.6093 4.6093 4.8358 4.8358 4.8422 4.8422 5.1140 5.1140 5.1217 5.1217 7.1394 7.1394 7.1471 7.1471 7.3360 7.3360 7.3375 7.3375 7.8735 7.8735 7.8746 7.8746 8.4056 8.4056 8.4079 8.4079 8.5658 8.5658 8.5910 8.5910 8.8222 8.8222 8.8255 8.8255 10.3876 10.3876 10.3978 10.3978 10.5910 10.5910 10.5927 10.5927 15.2971 15.2971 15.3192 15.3192 15.3749 15.3749 15.3771 15.3771 k = 0.3182 0.1837 0.5856 ( 4852 PWs) bands (ev): -16.3153 -16.3153 -16.3153 -16.3153 -8.9092 -8.9092 -8.9086 -8.9086 -8.0763 -8.0763 -8.0741 -8.0741 -7.9813 -7.9813 -7.9812 -7.9812 -2.9672 -2.9672 -2.9495 -2.9495 -1.1562 -1.1562 -1.1558 -1.1558 -0.9161 -0.9161 -0.8898 -0.8898 4.0544 4.0544 4.0770 4.0770 4.3383 4.3383 4.3430 4.3430 4.4995 4.4995 4.5019 4.5019 4.5937 4.5937 4.5988 4.5988 4.8257 4.8257 4.8316 4.8316 5.1220 5.1220 5.1288 5.1288 7.1204 7.1204 7.1277 7.1277 7.3273 7.3273 7.3287 7.3287 7.8604 7.8604 7.8615 7.8616 8.4018 8.4018 8.4049 8.4049 8.5565 8.5565 8.5814 8.5814 8.8214 8.8214 8.8246 8.8246 10.3732 10.3732 10.3831 10.3831 10.5893 10.5893 10.5908 10.5908 15.3482 15.3482 15.3701 15.3701 15.4189 15.4189 15.4204 15.4204 k = 0.3333 0.1925 0.5856 ( 4864 PWs) bands (ev): -16.3148 -16.3148 -16.3148 -16.3148 -8.9098 -8.9098 -8.9091 -8.9091 -8.0832 -8.0832 -8.0811 -8.0811 -7.9828 -7.9828 -7.9827 -7.9827 -2.9579 -2.9579 -2.9412 -2.9412 -1.1483 -1.1483 -1.1481 -1.1481 -0.8964 -0.8964 -0.8714 -0.8714 4.0571 4.0571 4.0792 4.0792 4.3247 4.3247 4.3311 4.3311 4.5009 4.5009 4.5041 4.5041 4.5820 4.5820 4.5891 4.5891 4.8157 4.8157 4.8211 4.8211 5.1299 5.1299 5.1358 5.1358 7.1022 7.1022 7.1091 7.1091 7.3186 7.3186 7.3200 7.3200 7.8485 7.8485 7.8496 7.8496 8.3968 8.3968 8.4003 8.4003 8.5495 8.5495 8.5736 8.5736 8.8206 8.8206 8.8236 8.8236 10.3596 10.3596 10.3689 10.3689 10.5875 10.5875 10.5890 10.5890 15.3995 15.3995 15.4204 15.4204 15.4627 15.4627 15.4627 15.4627 k = 0.3485 0.2012 0.5856 ( 4852 PWs) bands (ev): -16.3142 -16.3142 -16.3142 -16.3142 -8.9103 -8.9103 -8.9097 -8.9097 -8.0897 -8.0897 -8.0877 -8.0877 -7.9842 -7.9842 -7.9841 -7.9841 -2.9491 -2.9491 -2.9334 -2.9334 -1.1408 -1.1408 -1.1408 -1.1408 -0.8773 -0.8773 -0.8538 -0.8538 4.0594 4.0594 4.0808 4.0808 4.3116 4.3116 4.3192 4.3192 4.5020 4.5020 4.5063 4.5063 4.5723 4.5723 4.5804 4.5804 4.8060 4.8060 4.8109 4.8109 5.1376 5.1376 5.1426 5.1426 7.0850 7.0850 7.0914 7.0914 7.3103 7.3103 7.3115 7.3115 7.8378 7.8378 7.8388 7.8388 8.3909 8.3909 8.3944 8.3944 8.5447 8.5447 8.5675 8.5675 8.8198 8.8198 8.8227 8.8227 10.3467 10.3467 10.3555 10.3555 10.5859 10.5859 10.5873 10.5873 15.4499 15.4499 15.4680 15.4680 15.5044 15.5044 15.5074 15.5074 k = 0.3636 0.2099 0.5856 ( 4852 PWs) bands (ev): -16.3137 -16.3137 -16.3137 -16.3137 -8.9108 -8.9108 -8.9102 -8.9102 -8.0957 -8.0957 -8.0939 -8.0939 -7.9855 -7.9855 -7.9854 -7.9854 -2.9408 -2.9408 -2.9262 -2.9262 -1.1340 -1.1340 -1.1339 -1.1339 -0.8591 -0.8591 -0.8374 -0.8374 4.0613 4.0613 4.0817 4.0817 4.2992 4.2992 4.3075 4.3075 4.5027 4.5027 4.5083 4.5083 4.5644 4.5644 4.5725 4.5725 4.7967 4.7967 4.8011 4.8011 5.1449 5.1449 5.1492 5.1492 7.0690 7.0690 7.0748 7.0748 7.3022 7.3022 7.3034 7.3034 7.8282 7.8282 7.8292 7.8292 8.3842 8.3842 8.3876 8.3876 8.5418 8.5418 8.5628 8.5628 8.8191 8.8191 8.8217 8.8217 10.3348 10.3348 10.3429 10.3429 10.5844 10.5844 10.5857 10.5857 15.4976 15.4976 15.5109 15.5109 15.5464 15.5464 15.5545 15.5545 k = 0.3788 0.2187 0.5856 ( 4846 PWs) bands (ev): -16.3133 -16.3133 -16.3133 -16.3133 -8.9112 -8.9112 -8.9107 -8.9107 -8.1013 -8.1012 -8.0996 -8.0996 -7.9867 -7.9867 -7.9866 -7.9866 -2.9331 -2.9331 -2.9197 -2.9197 -1.1278 -1.1278 -1.1276 -1.1276 -0.8420 -0.8420 -0.8222 -0.8222 4.0627 4.0627 4.0819 4.0819 4.2879 4.2879 4.2965 4.2965 4.5032 4.5032 4.5101 4.5101 4.5583 4.5583 4.5655 4.5655 4.7878 4.7878 4.7919 4.7919 5.1518 5.1518 5.1554 5.1554 7.0542 7.0542 7.0595 7.0595 7.2947 7.2947 7.2958 7.2958 7.8197 7.8197 7.8207 7.8207 8.3772 8.3772 8.3801 8.3801 8.5404 8.5404 8.5594 8.5594 8.8184 8.8184 8.8209 8.8209 10.3238 10.3238 10.3313 10.3313 10.5830 10.5830 10.5842 10.5842 15.5401 15.5401 15.5481 15.5481 15.5906 15.5906 15.6039 15.6039 k = 0.3939 0.2274 0.5856 ( 4846 PWs) bands (ev): -16.3128 -16.3128 -16.3128 -16.3128 -8.9116 -8.9116 -8.9111 -8.9111 -8.1062 -8.1062 -8.1048 -8.1048 -7.9878 -7.9878 -7.9877 -7.9877 -2.9260 -2.9260 -2.9140 -2.9140 -1.1221 -1.1221 -1.1219 -1.1219 -0.8262 -0.8262 -0.8085 -0.8085 4.0638 4.0638 4.0814 4.0814 4.2779 4.2779 4.2862 4.2862 4.5033 4.5033 4.5115 4.5115 4.5539 4.5539 4.5596 4.5596 4.7796 4.7796 4.7833 4.7833 5.1582 5.1582 5.1612 5.1612 7.0409 7.0409 7.0456 7.0456 7.2878 7.2878 7.2888 7.2888 7.8124 7.8124 7.8132 7.8132 8.3701 8.3701 8.3726 8.3726 8.5402 8.5402 8.5570 8.5570 8.8178 8.8178 8.8200 8.8200 10.3140 10.3140 10.3207 10.3207 10.5817 10.5817 10.5828 10.5828 15.5760 15.5760 15.5804 15.5804 15.6374 15.6374 15.6541 15.6541 k = 0.4091 0.2362 0.5856 ( 4850 PWs) bands (ev): -16.3125 -16.3125 -16.3125 -16.3125 -8.9119 -8.9119 -8.9115 -8.9115 -8.1106 -8.1106 -8.1093 -8.1093 -7.9887 -7.9887 -7.9887 -7.9887 -2.9196 -2.9196 -2.9091 -2.9091 -1.1172 -1.1172 -1.1169 -1.1169 -0.8119 -0.8119 -0.7965 -0.7965 4.0645 4.0645 4.0802 4.0802 4.2693 4.2693 4.2770 4.2770 4.5032 4.5032 4.5124 4.5124 4.5509 4.5509 4.5548 4.5548 4.7722 4.7722 4.7754 4.7754 5.1640 5.1640 5.1665 5.1665 7.0291 7.0291 7.0331 7.0331 7.2816 7.2816 7.2824 7.2824 7.8061 7.8061 7.8069 7.8069 8.3634 8.3634 8.3654 8.3654 8.5407 8.5407 8.5552 8.5552 8.8173 8.8173 8.8192 8.8192 10.3053 10.3053 10.3112 10.3112 10.5806 10.5806 10.5815 10.5815 15.6059 15.6059 15.6083 15.6083 15.6853 15.6853 15.7034 15.7034 k = 0.4242 0.2449 0.5856 ( 4850 PWs) bands (ev): -16.3122 -16.3122 -16.3122 -16.3122 -8.9122 -8.9122 -8.9118 -8.9118 -8.1144 -8.1144 -8.1133 -8.1133 -7.9896 -7.9896 -7.9895 -7.9895 -2.9139 -2.9139 -2.9051 -2.9051 -1.1129 -1.1129 -1.1126 -1.1126 -0.7993 -0.7993 -0.7862 -0.7862 4.0650 4.0650 4.0786 4.0786 4.2621 4.2621 4.2690 4.2690 4.5031 4.5031 4.5126 4.5126 4.5489 4.5489 4.5511 4.5511 4.7656 4.7656 4.7684 4.7684 5.1691 5.1691 5.1710 5.1711 7.0189 7.0189 7.0223 7.0223 7.2762 7.2762 7.2769 7.2769 7.8009 7.8009 7.8016 7.8016 8.3572 8.3572 8.3588 8.3588 8.5418 8.5418 8.5539 8.5539 8.8168 8.8168 8.8184 8.8184 10.2980 10.2980 10.3029 10.3029 10.5796 10.5796 10.5804 10.5804 15.6307 15.6307 15.6320 15.6320 15.7322 15.7322 15.7503 15.7503 k = 0.4394 0.2537 0.5856 ( 4852 PWs) bands (ev): -16.3119 -16.3119 -16.3119 -16.3119 -8.9124 -8.9124 -8.9121 -8.9121 -8.1175 -8.1175 -8.1166 -8.1166 -7.9902 -7.9902 -7.9902 -7.9902 -2.9090 -2.9090 -2.9019 -2.9019 -1.1093 -1.1093 -1.1090 -1.1090 -0.7885 -0.7885 -0.7778 -0.7778 4.0654 4.0654 4.0766 4.0766 4.2565 4.2565 4.2623 4.2623 4.5031 4.5031 4.5121 4.5121 4.5478 4.5478 4.5486 4.5486 4.7601 4.7601 4.7624 4.7624 5.1734 5.1734 5.1749 5.1749 7.0105 7.0105 7.0133 7.0133 7.2716 7.2716 7.2722 7.2722 7.7967 7.7967 7.7972 7.7972 8.3519 8.3519 8.3531 8.3531 8.5431 8.5431 8.5528 8.5528 8.8165 8.8165 8.8178 8.8178 10.2919 10.2919 10.2959 10.2959 10.5788 10.5788 10.5795 10.5795 15.6509 15.6509 15.6515 15.6515 15.7761 15.7761 15.7930 15.7930 k = 0.4545 0.2624 0.5856 ( 4844 PWs) bands (ev): -16.3117 -16.3117 -16.3117 -16.3117 -8.9125 -8.9125 -8.9123 -8.9123 -8.1199 -8.1199 -8.1192 -8.1192 -7.9908 -7.9908 -7.9907 -7.9907 -2.9050 -2.9050 -2.8996 -2.8996 -1.1065 -1.1065 -1.1063 -1.1063 -0.7796 -0.7796 -0.7716 -0.7716 4.0659 4.0659 4.0745 4.0745 4.2524 4.2524 4.2569 4.2569 4.5034 4.5034 4.5111 4.5111 4.5471 4.5471 4.5471 4.5471 4.7557 4.7557 4.7575 4.7575 5.1769 5.1769 5.1780 5.1780 7.0040 7.0040 7.0061 7.0061 7.2681 7.2681 7.2685 7.2685 7.7935 7.7935 7.7939 7.7939 8.3476 8.3476 8.3484 8.3484 8.5446 8.5446 8.5519 8.5519 8.8163 8.8163 8.8172 8.8172 10.2873 10.2873 10.2903 10.2903 10.5782 10.5782 10.5787 10.5787 15.6665 15.6665 15.6669 15.6669 15.8151 15.8151 15.8297 15.8297 k = 0.4697 0.2712 0.5856 ( 4860 PWs) bands (ev): -16.3115 -16.3115 -16.3115 -16.3115 -8.9126 -8.9126 -8.9125 -8.9125 -8.1216 -8.1216 -8.1211 -8.1211 -7.9912 -7.9912 -7.9911 -7.9911 -2.9018 -2.9018 -2.8982 -2.8982 -1.1044 -1.1044 -1.1043 -1.1043 -0.7728 -0.7728 -0.7674 -0.7674 4.0665 4.0665 4.0724 4.0724 4.2497 4.2497 4.2528 4.2528 4.5040 4.5040 4.5095 4.5095 4.5464 4.5464 4.5467 4.5467 4.7526 4.7526 4.7538 4.7538 5.1794 5.1794 5.1801 5.1801 6.9994 6.9994 7.0008 7.0008 7.2655 7.2655 7.2658 7.2658 7.7912 7.7912 7.7915 7.7915 8.3444 8.3444 8.3450 8.3450 8.5460 8.5460 8.5509 8.5509 8.8161 8.8161 8.8168 8.8168 10.2841 10.2841 10.2861 10.2861 10.5778 10.5778 10.5781 10.5781 15.6777 15.6777 15.6779 15.6779 15.8469 15.8469 15.8577 15.8577 k = 0.4848 0.2799 0.5856 ( 4852 PWs) bands (ev): -16.3114 -16.3114 -16.3114 -16.3114 -8.9127 -8.9127 -8.9126 -8.9126 -8.1226 -8.1226 -8.1223 -8.1223 -7.9914 -7.9914 -7.9914 -7.9914 -2.8995 -2.8995 -2.8977 -2.8977 -1.1032 -1.1032 -1.1031 -1.1031 -0.7681 -0.7681 -0.7654 -0.7654 4.0675 4.0675 4.0704 4.0704 4.2485 4.2485 4.2500 4.2500 4.5050 4.5050 4.5079 4.5079 4.5462 4.5462 4.5464 4.5464 4.7509 4.7509 4.7515 4.7515 5.1811 5.1811 5.1814 5.1814 6.9968 6.9968 6.9975 6.9975 7.2640 7.2640 7.2641 7.2641 7.7899 7.7899 7.7900 7.7900 8.3426 8.3426 8.3428 8.3428 8.5475 8.5475 8.5499 8.5499 8.8161 8.8161 8.8165 8.8165 10.2824 10.2824 10.2834 10.2834 10.5776 10.5776 10.5777 10.5777 15.6845 15.6845 15.6846 15.6846 15.8688 15.8688 15.8747 15.8747 k = 0.5000 0.2887 0.5856 ( 4860 PWs) bands (ev): -16.3114 -16.3114 -16.3114 -16.3114 -8.9127 -8.9127 -8.9127 -8.9127 -8.1228 -8.1228 -8.1228 -8.1228 -7.9915 -7.9915 -7.9915 -7.9915 -2.8981 -2.8981 -2.8981 -2.8981 -1.1027 -1.1027 -1.1027 -1.1027 -0.7657 -0.7657 -0.7657 -0.7657 4.0688 4.0688 4.0688 4.0688 4.2486 4.2486 4.2486 4.2486 4.5063 4.5063 4.5063 4.5063 4.5462 4.5462 4.5462 4.5462 4.7505 4.7505 4.7505 4.7505 5.1817 5.1817 5.1817 5.1817 6.9961 6.9961 6.9961 6.9961 7.2635 7.2635 7.2635 7.2635 7.7895 7.7895 7.7895 7.7895 8.3420 8.3420 8.3420 8.3420 8.5487 8.5487 8.5487 8.5487 8.8162 8.8162 8.8162 8.8162 10.2821 10.2821 10.2821 10.2821 10.5775 10.5775 10.5775 10.5775 15.6868 15.6868 15.6868 15.6868 15.8785 15.8785 15.8785 15.8785 k = 0.5000 0.2887 0.5856 ( 4860 PWs) bands (ev): -16.3114 -16.3114 -16.3114 -16.3114 -8.9127 -8.9127 -8.9127 -8.9127 -8.1228 -8.1228 -8.1228 -8.1228 -7.9915 -7.9915 -7.9915 -7.9915 -2.8981 -2.8981 -2.8981 -2.8981 -1.1027 -1.1027 -1.1027 -1.1027 -0.7657 -0.7657 -0.7657 -0.7657 4.0688 4.0688 4.0688 4.0688 4.2486 4.2486 4.2486 4.2486 4.5063 4.5063 4.5063 4.5063 4.5462 4.5462 4.5462 4.5462 4.7505 4.7505 4.7505 4.7505 5.1817 5.1817 5.1817 5.1817 6.9961 6.9961 6.9961 6.9961 7.2635 7.2635 7.2635 7.2635 7.7895 7.7895 7.7895 7.7895 8.3420 8.3420 8.3420 8.3420 8.5487 8.5487 8.5487 8.5487 8.8162 8.8162 8.8162 8.8162 10.2821 10.2821 10.2821 10.2821 10.5775 10.5775 10.5775 10.5775 15.6868 15.6868 15.6868 15.6868 15.8785 15.8785 15.8785 15.8785 k = 0.4912 0.3039 0.5856 ( 4856 PWs) bands (ev): -16.3114 -16.3114 -16.3114 -16.3114 -8.9131 -8.9131 -8.9121 -8.9121 -8.1241 -8.1241 -8.1236 -8.1236 -7.9912 -7.9912 -7.9902 -7.9902 -2.8993 -2.8993 -2.8966 -2.8966 -1.1051 -1.1051 -1.0994 -1.0994 -0.7663 -0.7663 -0.7654 -0.7654 4.0685 4.0685 4.0698 4.0698 4.2467 4.2467 4.2499 4.2499 4.5029 4.5029 4.5074 4.5074 4.5450 4.5450 4.5497 4.5497 4.7472 4.7472 4.7535 4.7535 5.1810 5.1810 5.1822 5.1822 6.9959 6.9959 6.9967 6.9967 7.2626 7.2626 7.2643 7.2643 7.7868 7.7868 7.7899 7.7899 8.3409 8.3409 8.3437 8.3437 8.5470 8.5470 8.5502 8.5502 8.8137 8.8137 8.8176 8.8176 10.2818 10.2818 10.2834 10.2834 10.5760 10.5760 10.5778 10.5778 15.6831 15.6831 15.6900 15.6900 15.8766 15.8766 15.8829 15.8829 k = 0.4825 0.3191 0.5856 ( 4856 PWs) bands (ev): -16.3114 -16.3114 -16.3114 -16.3114 -8.9134 -8.9134 -8.9113 -8.9113 -8.1272 -8.1272 -8.1263 -8.1263 -7.9894 -7.9894 -7.9876 -7.9876 -2.9000 -2.9000 -2.8946 -2.8946 -1.1064 -1.1064 -1.0950 -1.0950 -0.7673 -0.7673 -0.7655 -0.7655 4.0691 4.0691 4.0716 4.0716 4.2442 4.2442 4.2506 4.2506 4.4979 4.4979 4.5059 4.5059 4.5462 4.5462 4.5549 4.5549 4.7439 4.7439 4.7564 4.7564 5.1802 5.1802 5.1824 5.1824 6.9960 6.9960 6.9976 6.9976 7.2615 7.2615 7.2649 7.2649 7.7820 7.7820 7.7882 7.7882 8.3404 8.3404 8.3459 8.3459 8.5451 8.5451 8.5516 8.5516 8.8100 8.8100 8.8178 8.8178 10.2824 10.2824 10.2855 10.2855 10.5731 10.5731 10.5767 10.5767 15.6793 15.6793 15.6928 15.6928 15.8770 15.8770 15.8894 15.8894 k = 0.4737 0.3343 0.5856 ( 4860 PWs) bands (ev): -16.3113 -16.3113 -16.3113 -16.3113 -8.9135 -8.9135 -8.9103 -8.9103 -8.1321 -8.1321 -8.1307 -8.1307 -7.9864 -7.9864 -7.9837 -7.9837 -2.9003 -2.9003 -2.8923 -2.8923 -1.1067 -1.1067 -1.0896 -1.0896 -0.7687 -0.7687 -0.7660 -0.7660 4.0703 4.0703 4.0740 4.0740 4.2412 4.2412 4.2507 4.2507 4.4920 4.4920 4.5024 4.5024 4.5490 4.5490 4.5611 4.5611 4.7404 4.7404 4.7589 4.7589 5.1791 5.1791 5.1824 5.1824 6.9965 6.9965 6.9989 6.9989 7.2602 7.2602 7.2653 7.2653 7.7751 7.7751 7.7843 7.7843 8.3402 8.3402 8.3487 8.3487 8.5430 8.5430 8.5526 8.5526 8.8052 8.8052 8.8169 8.8169 10.2839 10.2839 10.2885 10.2885 10.5690 10.5690 10.5743 10.5743 15.6757 15.6757 15.6953 15.6953 15.8798 15.8798 15.8979 15.8979 k = 0.4649 0.3494 0.5856 ( 4868 PWs) bands (ev): -16.3112 -16.3112 -16.3112 -16.3112 -8.9134 -8.9134 -8.9092 -8.9092 -8.1383 -8.1383 -8.1364 -8.1364 -7.9825 -7.9825 -7.9791 -7.9791 -2.9002 -2.9002 -2.8897 -2.8897 -1.1061 -1.1061 -1.0833 -1.0833 -0.7705 -0.7705 -0.7668 -0.7668 4.0723 4.0723 4.0772 4.0772 4.2376 4.2376 4.2502 4.2502 4.4856 4.4856 4.4977 4.4977 4.5525 4.5525 4.5680 4.5680 4.7370 4.7370 4.7610 4.7610 5.1779 5.1779 5.1822 5.1822 6.9974 6.9974 7.0006 7.0006 7.2588 7.2588 7.2655 7.2655 7.7664 7.7664 7.7784 7.7784 8.3405 8.3405 8.3520 8.3520 8.5408 8.5408 8.5535 8.5535 8.7995 8.7995 8.8150 8.8150 10.2863 10.2863 10.2923 10.2923 10.5636 10.5636 10.5707 10.5707 15.6726 15.6726 15.6975 15.6975 15.8847 15.8847 15.9078 15.9078 k = 0.4561 0.3646 0.5856 ( 4860 PWs) bands (ev): -16.3112 -16.3112 -16.3112 -16.3112 -8.9131 -8.9131 -8.9080 -8.9080 -8.1455 -8.1455 -8.1430 -8.1430 -7.9779 -7.9779 -7.9738 -7.9738 -2.8998 -2.8998 -2.8867 -2.8867 -1.1045 -1.1045 -1.0761 -1.0761 -0.7727 -0.7727 -0.7679 -0.7679 4.0750 4.0750 4.0810 4.0810 4.2336 4.2336 4.2491 4.2491 4.4791 4.4791 4.4925 4.4925 4.5562 4.5562 4.5753 4.5753 4.7337 4.7337 4.7628 4.7628 5.1765 5.1765 5.1818 5.1818 6.9985 6.9985 7.0025 7.0025 7.2572 7.2572 7.2656 7.2656 7.7560 7.7560 7.7708 7.7708 8.3409 8.3409 8.3556 8.3556 8.5387 8.5387 8.5542 8.5542 8.7929 8.7929 8.8122 8.8122 10.2896 10.2896 10.2969 10.2969 10.5572 10.5572 10.5658 10.5658 15.6703 15.6703 15.6998 15.6998 15.8912 15.8912 15.9189 15.9189 k = 0.4474 0.3798 0.5856 ( 4860 PWs) bands (ev): -16.3111 -16.3111 -16.3111 -16.3111 -8.9128 -8.9128 -8.9066 -8.9066 -8.1534 -8.1534 -8.1503 -8.1503 -7.9730 -7.9730 -7.9683 -7.9683 -2.8990 -2.8990 -2.8835 -2.8835 -1.1021 -1.1021 -1.0681 -1.0681 -0.7751 -0.7751 -0.7692 -0.7692 4.0784 4.0784 4.0854 4.0854 4.2292 4.2292 4.2474 4.2474 4.4726 4.4726 4.4871 4.4871 4.5597 4.5597 4.5830 4.5830 4.7304 4.7304 4.7640 4.7640 5.1751 5.1751 5.1812 5.1812 7.0000 7.0000 7.0048 7.0048 7.2554 7.2554 7.2653 7.2653 7.7444 7.7444 7.7618 7.7618 8.3413 8.3413 8.3594 8.3594 8.5366 8.5366 8.5548 8.5548 8.7857 8.7857 8.8087 8.8087 10.2936 10.2936 10.3022 10.3022 10.5497 10.5497 10.5599 10.5599 15.6689 15.6689 15.7025 15.7025 15.8990 15.8990 15.9308 15.9308 k = 0.4386 0.3950 0.5856 ( 4852 PWs) bands (ev): -16.3110 -16.3110 -16.3109 -16.3109 -8.9123 -8.9123 -8.9052 -8.9052 -8.1617 -8.1617 -8.1579 -8.1579 -7.9679 -7.9679 -7.9628 -7.9628 -2.8978 -2.8978 -2.8801 -2.8801 -1.0990 -1.0990 -1.0594 -1.0594 -0.7779 -0.7779 -0.7707 -0.7707 4.0824 4.0824 4.0904 4.0904 4.2243 4.2243 4.2452 4.2452 4.4660 4.4660 4.4818 4.4818 4.5630 4.5630 4.5907 4.5907 4.7273 4.7273 4.7647 4.7647 5.1735 5.1735 5.1804 5.1804 7.0017 7.0017 7.0073 7.0073 7.2534 7.2534 7.2649 7.2649 7.7318 7.7318 7.7517 7.7517 8.3417 8.3417 8.3632 8.3632 8.5347 8.5347 8.5552 8.5552 8.7780 8.7780 8.8046 8.8046 10.2984 10.2984 10.3081 10.3081 10.5413 10.5413 10.5529 10.5529 15.6686 15.6686 15.7057 15.7057 15.9077 15.9077 15.9434 15.9434 k = 0.4298 0.4102 0.5856 ( 4862 PWs) bands (ev): -16.3108 -16.3108 -16.3108 -16.3108 -8.9117 -8.9117 -8.9037 -8.9037 -8.1702 -8.1702 -8.1657 -8.1657 -7.9630 -7.9630 -7.9574 -7.9574 -2.8965 -2.8965 -2.8766 -2.8766 -1.0952 -1.0952 -1.0502 -1.0502 -0.7810 -0.7810 -0.7724 -0.7724 4.0868 4.0868 4.0958 4.0958 4.2190 4.2190 4.2424 4.2424 4.4596 4.4596 4.4765 4.4765 4.5658 4.5658 4.5985 4.5985 4.7243 4.7243 4.7649 4.7649 5.1719 5.1719 5.1796 5.1796 7.0036 7.0036 7.0099 7.0099 7.2511 7.2511 7.2641 7.2641 7.7186 7.7186 7.7407 7.7407 8.3418 8.3418 8.3669 8.3669 8.5331 8.5331 8.5556 8.5556 8.7700 8.7700 8.8001 8.8001 10.3038 10.3038 10.3145 10.3145 10.5321 10.5321 10.5450 10.5450 15.6695 15.6695 15.7097 15.7097 15.9170 15.9170 15.9563 15.9563 k = 0.4211 0.4254 0.5856 ( 4858 PWs) bands (ev): -16.3107 -16.3107 -16.3107 -16.3107 -8.9111 -8.9111 -8.9021 -8.9021 -8.1785 -8.1785 -8.1734 -8.1734 -7.9582 -7.9582 -7.9522 -7.9522 -2.8949 -2.8949 -2.8730 -2.8730 -1.0909 -1.0909 -1.0405 -1.0405 -0.7842 -0.7842 -0.7742 -0.7742 4.0918 4.0918 4.1016 4.1016 4.2135 4.2135 4.2392 4.2392 4.4534 4.4534 4.4716 4.4716 4.5683 4.5683 4.6063 4.6063 4.7216 4.7216 4.7644 4.7644 5.1704 5.1704 5.1786 5.1786 7.0057 7.0057 7.0128 7.0128 7.2485 7.2485 7.2630 7.2630 7.7052 7.7052 7.7294 7.7294 8.3416 8.3416 8.3703 8.3703 8.5318 8.5318 8.5560 8.5560 8.7619 8.7619 8.7955 8.7955 10.3098 10.3098 10.3214 10.3214 10.5222 10.5222 10.5363 10.5363 15.6715 15.6715 15.7146 15.7146 15.9266 15.9266 15.9693 15.9693 k = 0.4123 0.4406 0.5856 ( 4846 PWs) bands (ev): -16.3106 -16.3106 -16.3105 -16.3105 -8.9104 -8.9104 -8.9006 -8.9006 -8.1866 -8.1866 -8.1808 -8.1808 -7.9538 -7.9538 -7.9475 -7.9475 -2.8932 -2.8931 -2.8695 -2.8695 -1.0863 -1.0863 -1.0306 -1.0306 -0.7877 -0.7877 -0.7760 -0.7760 4.0972 4.0972 4.1076 4.1076 4.2078 4.2078 4.2355 4.2355 4.4474 4.4474 4.4669 4.4669 4.5703 4.5703 4.6139 4.6139 4.7191 4.7191 4.7634 4.7634 5.1688 5.1688 5.1777 5.1777 7.0079 7.0079 7.0157 7.0157 7.2457 7.2457 7.2616 7.2616 7.6919 7.6919 7.7179 7.7179 8.3410 8.3410 8.3733 8.3733 8.5310 8.5310 8.5563 8.5563 8.7540 8.7540 8.7907 8.7907 10.3162 10.3162 10.3286 10.3286 10.5120 10.5120 10.5270 10.5270 15.6745 15.6745 15.7202 15.7202 15.9363 15.9363 15.9822 15.9822 k = 0.4035 0.4558 0.5856 ( 4846 PWs) bands (ev): -16.3104 -16.3104 -16.3104 -16.3104 -8.9097 -8.9097 -8.8992 -8.8992 -8.1943 -8.1943 -8.1879 -8.1879 -7.9497 -7.9497 -7.9431 -7.9431 -2.8913 -2.8913 -2.8660 -2.8660 -1.0814 -1.0814 -1.0206 -1.0206 -0.7912 -0.7912 -0.7778 -0.7778 4.1029 4.1029 4.1139 4.1139 4.2019 4.2019 4.2313 4.2313 4.4418 4.4418 4.4626 4.4626 4.5720 4.5720 4.6213 4.6213 4.7168 4.7168 4.7616 4.7616 5.1674 5.1674 5.1767 5.1767 7.0102 7.0102 7.0186 7.0186 7.2426 7.2426 7.2599 7.2599 7.6791 7.6791 7.7068 7.7068 8.3401 8.3401 8.3757 8.3757 8.5306 8.5306 8.5568 8.5568 8.7464 8.7464 8.7860 8.7860 10.3231 10.3231 10.3360 10.3360 10.5014 10.5014 10.5172 10.5172 15.6784 15.6784 15.7265 15.7265 15.9458 15.9458 15.9949 15.9949 k = 0.3947 0.4710 0.5856 ( 4842 PWs) bands (ev): -16.3103 -16.3103 -16.3103 -16.3103 -8.9090 -8.9090 -8.8978 -8.8978 -8.2014 -8.2014 -8.1944 -8.1944 -7.9461 -7.9461 -7.9393 -7.9393 -2.8895 -2.8895 -2.8627 -2.8627 -1.0766 -1.0766 -1.0109 -1.0109 -0.7947 -0.7947 -0.7794 -0.7794 4.1088 4.1088 4.1203 4.1203 4.1958 4.1958 4.2268 4.2268 4.4366 4.4366 4.4587 4.4587 4.5734 4.5734 4.6284 4.6284 4.7148 4.7148 4.7593 4.7593 5.1661 5.1661 5.1758 5.1758 7.0124 7.0124 7.0215 7.0215 7.2393 7.2393 7.2579 7.2579 7.6671 7.6671 7.6963 7.6963 8.3387 8.3387 8.3774 8.3774 8.5307 8.5307 8.5573 8.5573 8.7393 8.7393 8.7816 8.7816 10.3303 10.3303 10.3435 10.3435 10.4909 10.4909 10.5071 10.5071 15.6830 15.6830 15.7333 15.7333 15.9550 15.9550 16.0071 16.0071 k = 0.3860 0.4862 0.5856 ( 4846 PWs) bands (ev): -16.3102 -16.3102 -16.3101 -16.3101 -8.9083 -8.9083 -8.8965 -8.8965 -8.2078 -8.2078 -8.2003 -8.2003 -7.9429 -7.9429 -7.9359 -7.9359 -2.8877 -2.8877 -2.8597 -2.8597 -1.0719 -1.0719 -1.0016 -1.0016 -0.7981 -0.7981 -0.7808 -0.7808 4.1148 4.1148 4.1267 4.1267 4.1897 4.1897 4.2219 4.2219 4.4319 4.4319 4.4552 4.4552 4.5746 4.5746 4.6350 4.6350 4.7131 4.7131 4.7564 4.7564 5.1650 5.1650 5.1750 5.1750 7.0144 7.0144 7.0242 7.0242 7.2359 7.2359 7.2556 7.2556 7.6562 7.6562 7.6867 7.6867 8.3370 8.3370 8.3786 8.3786 8.5313 8.5313 8.5578 8.5578 8.7329 8.7329 8.7775 8.7775 10.3376 10.3376 10.3508 10.3508 10.4805 10.4805 10.4970 10.4970 15.6880 15.6880 15.7404 15.7404 15.9636 15.9636 16.0186 16.0186 k = 0.3772 0.5014 0.5856 ( 4842 PWs) bands (ev): -16.3100 -16.3100 -16.3100 -16.3100 -8.9077 -8.9077 -8.8954 -8.8954 -8.2134 -8.2134 -8.2054 -8.2054 -7.9403 -7.9403 -7.9331 -7.9331 -2.8860 -2.8860 -2.8569 -2.8569 -1.0675 -1.0675 -0.9930 -0.9930 -0.8013 -0.8013 -0.7820 -0.7820 4.1208 4.1208 4.1329 4.1329 4.1836 4.1836 4.2168 4.2168 4.4278 4.4278 4.4521 4.4521 4.5755 4.5755 4.6413 4.6413 4.7117 4.7117 4.7530 4.7530 5.1642 5.1642 5.1743 5.1743 7.0163 7.0163 7.0267 7.0267 7.2325 7.2325 7.2533 7.2533 7.6467 7.6467 7.6783 7.6783 8.3352 8.3352 8.3791 8.3791 8.5322 8.5322 8.5584 8.5584 8.7272 8.7272 8.7740 8.7740 10.3449 10.3449 10.3578 10.3578 10.4707 10.4707 10.4871 10.4871 15.6931 15.6931 15.7474 15.7474 15.9715 15.9715 16.0292 16.0292 k = 0.3684 0.5166 0.5856 ( 4834 PWs) bands (ev): -16.3099 -16.3099 -16.3099 -16.3099 -8.9072 -8.9072 -8.8945 -8.8945 -8.2181 -8.2181 -8.2098 -8.2098 -7.9381 -7.9381 -7.9308 -7.9308 -2.8845 -2.8845 -2.8545 -2.8545 -1.0636 -1.0636 -0.9854 -0.9854 -0.8040 -0.8040 -0.7829 -0.7829 4.1268 4.1268 4.1389 4.1389 4.1776 4.1776 4.2116 4.2116 4.4243 4.4243 4.4496 4.4496 4.5762 4.5762 4.6468 4.6468 4.7107 4.7107 4.7494 4.7494 5.1635 5.1635 5.1738 5.1738 7.0179 7.0179 7.0288 7.0288 7.2292 7.2292 7.2511 7.2511 7.6387 7.6387 7.6713 7.6713 8.3333 8.3333 8.3792 8.3792 8.5333 8.5333 8.5590 8.5590 8.7225 8.7225 8.7709 8.7709 10.3521 10.3521 10.3641 10.3641 10.4618 10.4618 10.4776 10.4776 15.6981 15.6981 15.7540 15.7540 15.9786 15.9786 16.0386 16.0386 k = 0.3596 0.5318 0.5856 ( 4830 PWs) bands (ev): -16.3099 -16.3099 -16.3098 -16.3098 -8.9068 -8.9068 -8.8937 -8.8937 -8.2218 -8.2218 -8.2132 -8.2132 -7.9365 -7.9365 -7.9291 -7.9291 -2.8832 -2.8832 -2.8526 -2.8526 -1.0604 -1.0604 -0.9791 -0.9791 -0.8062 -0.8062 -0.7836 -0.7836 4.1325 4.1325 4.1443 4.1443 4.1720 4.1720 4.2066 4.2066 4.4216 4.4216 4.4475 4.4475 4.5768 4.5768 4.6515 4.6515 4.7101 4.7101 4.7457 4.7457 5.1630 5.1630 5.1734 5.1734 7.0192 7.0192 7.0305 7.0305 7.2264 7.2264 7.2490 7.2490 7.6325 7.6325 7.6657 7.6657 8.3315 8.3315 8.3790 8.3790 8.5344 8.5344 8.5596 8.5596 8.7187 8.7187 8.7685 8.7685 10.3588 10.3588 10.3693 10.3693 10.4544 10.4544 10.4690 10.4690 15.7025 15.7025 15.7599 15.7599 15.9845 15.9845 16.0466 16.0466 k = 0.3509 0.5470 0.5856 ( 4838 PWs) bands (ev): -16.3098 -16.3098 -16.3098 -16.3098 -8.9065 -8.9065 -8.8931 -8.8931 -8.2246 -8.2246 -8.2157 -8.2157 -7.9353 -7.9353 -7.9279 -7.9279 -2.8822 -2.8822 -2.8511 -2.8511 -1.0580 -1.0580 -0.9745 -0.9745 -0.8077 -0.8077 -0.7839 -0.7839 4.1379 4.1379 4.1484 4.1484 4.1671 4.1671 4.2021 4.2021 4.4197 4.4197 4.4460 4.4460 4.5772 4.5772 4.6552 4.6552 4.7098 4.7098 4.7423 4.7423 5.1627 5.1627 5.1732 5.1732 7.0201 7.0201 7.0317 7.0317 7.2241 7.2241 7.2473 7.2473 7.6280 7.6280 7.6618 7.6618 8.3300 8.3300 8.3786 8.3786 8.5354 8.5354 8.5600 8.5600 8.7160 8.7160 8.7668 8.7668 10.3648 10.3648 10.3726 10.3726 10.4489 10.4489 10.4619 10.4619 15.7062 15.7062 15.7646 15.7646 15.9891 15.9891 16.0528 16.0528 k = 0.3421 0.5622 0.5856 ( 4842 PWs) bands (ev): -16.3097 -16.3097 -16.3097 -16.3097 -8.9064 -8.9064 -8.8928 -8.8928 -8.2262 -8.2262 -8.2172 -8.2172 -7.9347 -7.9347 -7.9272 -7.9272 -2.8816 -2.8816 -2.8502 -2.8502 -1.0566 -1.0566 -0.9716 -0.9716 -0.8086 -0.8086 -0.7841 -0.7841 4.1429 4.1429 4.1500 4.1500 4.1638 4.1638 4.1987 4.1987 4.4186 4.4186 4.4450 4.4450 4.5775 4.5775 4.6575 4.6575 4.7098 4.7098 4.7398 4.7398 5.1626 5.1626 5.1731 5.1731 7.0206 7.0206 7.0324 7.0324 7.2225 7.2225 7.2462 7.2462 7.6253 7.6253 7.6594 7.6594 8.3290 8.3290 8.3782 8.3782 8.5361 8.5361 8.5604 8.5604 8.7144 8.7144 8.7657 8.7657 10.3696 10.3696 10.3738 10.3738 10.4459 10.4459 10.4569 10.4569 15.7086 15.7086 15.7677 15.7677 15.9921 15.9921 16.0568 16.0568 k = 0.3333 0.5774 0.5856 ( 4836 PWs) bands (ev): -16.3097 -16.3097 -16.3097 -16.3097 -8.9063 -8.9063 -8.8927 -8.8927 -8.2268 -8.2268 -8.2177 -8.2177 -7.9345 -7.9345 -7.9270 -7.9270 -2.8813 -2.8813 -2.8499 -2.8499 -1.0561 -1.0561 -0.9707 -0.9707 -0.8089 -0.8089 -0.7841 -0.7841 4.1458 4.1458 4.1492 4.1492 4.1629 4.1629 4.1975 4.1975 4.4182 4.4182 4.4446 4.4446 4.5776 4.5776 4.6584 4.6584 4.7098 4.7098 4.7389 4.7389 5.1626 5.1626 5.1731 5.1731 7.0207 7.0207 7.0327 7.0327 7.2220 7.2220 7.2458 7.2458 7.6245 7.6245 7.6586 7.6586 8.3287 8.3287 8.3780 8.3780 8.5363 8.5363 8.5605 8.5605 8.7138 8.7138 8.7654 8.7654 10.3724 10.3724 10.3730 10.3730 10.4450 10.4450 10.4551 10.4551 15.7094 15.7094 15.7688 15.7688 15.9932 15.9932 16.0583 16.0583 k = 0.3333 0.5774 0.5856 ( 4836 PWs) bands (ev): -16.3097 -16.3097 -16.3097 -16.3097 -8.9063 -8.9063 -8.8927 -8.8927 -8.2268 -8.2268 -8.2177 -8.2177 -7.9345 -7.9345 -7.9270 -7.9270 -2.8813 -2.8813 -2.8499 -2.8499 -1.0561 -1.0561 -0.9707 -0.9707 -0.8089 -0.8089 -0.7841 -0.7841 4.1458 4.1458 4.1492 4.1492 4.1629 4.1629 4.1975 4.1975 4.4182 4.4182 4.4446 4.4446 4.5776 4.5776 4.6584 4.6584 4.7098 4.7098 4.7389 4.7389 5.1626 5.1626 5.1731 5.1731 7.0207 7.0207 7.0327 7.0327 7.2220 7.2220 7.2458 7.2458 7.6245 7.6245 7.6586 7.6586 8.3287 8.3287 8.3780 8.3780 8.5363 8.5363 8.5605 8.5605 8.7138 8.7138 8.7654 8.7654 10.3724 10.3724 10.3730 10.3730 10.4450 10.4450 10.4551 10.4551 15.7094 15.7094 15.7688 15.7688 15.9932 15.9932 16.0583 16.0583 k = 0.3246 0.5622 0.5856 ( 4844 PWs) bands (ev): -16.3097 -16.3097 -16.3097 -16.3097 -8.9064 -8.9064 -8.8928 -8.8928 -8.2262 -8.2262 -8.2172 -8.2172 -7.9347 -7.9347 -7.9272 -7.9272 -2.8816 -2.8816 -2.8502 -2.8502 -1.0566 -1.0566 -0.9716 -0.9716 -0.8087 -0.8087 -0.7841 -0.7841 4.1428 4.1428 4.1502 4.1502 4.1637 4.1637 4.1988 4.1988 4.4185 4.4185 4.4450 4.4450 4.5774 4.5774 4.6575 4.6575 4.7098 4.7098 4.7399 4.7399 5.1626 5.1626 5.1731 5.1731 7.0206 7.0206 7.0325 7.0325 7.2226 7.2226 7.2462 7.2462 7.6253 7.6253 7.6594 7.6594 8.3291 8.3291 8.3782 8.3782 8.5361 8.5361 8.5604 8.5604 8.7144 8.7144 8.7657 8.7657 10.3698 10.3698 10.3738 10.3738 10.4458 10.4458 10.4568 10.4568 15.7085 15.7085 15.7676 15.7676 15.9920 15.9920 16.0566 16.0566 k = 0.3158 0.5470 0.5856 ( 4844 PWs) bands (ev): -16.3098 -16.3098 -16.3098 -16.3098 -8.9065 -8.9065 -8.8931 -8.8931 -8.2246 -8.2246 -8.2157 -8.2157 -7.9353 -7.9353 -7.9278 -7.9278 -2.8823 -2.8823 -2.8512 -2.8512 -1.0581 -1.0581 -0.9743 -0.9743 -0.8083 -0.8083 -0.7843 -0.7843 4.1380 4.1380 4.1491 4.1491 4.1664 4.1664 4.2025 4.2025 4.4196 4.4196 4.4460 4.4460 4.5771 4.5771 4.6549 4.6549 4.7100 4.7100 4.7429 4.7429 5.1625 5.1625 5.1730 5.1730 7.0204 7.0204 7.0321 7.0321 7.2243 7.2243 7.2476 7.2476 7.6278 7.6278 7.6616 7.6616 8.3304 8.3304 8.3790 8.3790 8.5352 8.5352 8.5599 8.5599 8.7159 8.7159 8.7667 8.7667 10.3660 10.3660 10.3730 10.3730 10.4486 10.4486 10.4612 10.4612 15.7054 15.7054 15.7637 15.7637 15.9879 15.9879 16.0514 16.0514 k = 0.3070 0.5318 0.5856 ( 4840 PWs) bands (ev): -16.3099 -16.3099 -16.3099 -16.3099 -8.9068 -8.9068 -8.8936 -8.8936 -8.2218 -8.2218 -8.2131 -8.2131 -7.9362 -7.9362 -7.9288 -7.9288 -2.8836 -2.8836 -2.8529 -2.8529 -1.0606 -1.0606 -0.9787 -0.9787 -0.8081 -0.8081 -0.7848 -0.7848 4.1328 4.1328 4.1457 4.1457 4.1708 4.1708 4.2080 4.2080 4.4212 4.4212 4.4478 4.4478 4.5766 4.5766 4.6509 4.6509 4.7108 4.7108 4.7476 4.7476 5.1623 5.1623 5.1728 5.1728 7.0203 7.0203 7.0316 7.0316 7.2272 7.2272 7.2499 7.2499 7.6319 7.6320 7.6653 7.6653 8.3327 8.3327 8.3804 8.3804 8.5338 8.5338 8.5592 8.5592 8.7183 8.7183 8.7683 8.7683 10.3618 10.3618 10.3708 10.3708 10.4531 10.4531 10.4672 10.4672 15.6999 15.6999 15.7570 15.7570 15.9804 15.9804 16.0421 16.0421 k = 0.2982 0.5166 0.5856 ( 4836 PWs) bands (ev): -16.3100 -16.3100 -16.3100 -16.3100 -8.9071 -8.9071 -8.8943 -8.8943 -8.2180 -8.2180 -8.2096 -8.2096 -7.9375 -7.9375 -7.9301 -7.9301 -2.8855 -2.8855 -2.8552 -2.8552 -1.0640 -1.0640 -0.9845 -0.9845 -0.8083 -0.8083 -0.7857 -0.7857 4.1274 4.1274 4.1413 4.1413 4.1762 4.1762 4.2146 4.2146 4.4235 4.4235 4.4503 4.4503 4.5758 4.5758 4.6455 4.6455 4.7125 4.7125 4.7535 4.7535 5.1619 5.1619 5.1725 5.1725 7.0205 7.0205 7.0314 7.0314 7.2312 7.2312 7.2532 7.2532 7.6376 7.6376 7.6703 7.6703 8.3360 8.3360 8.3826 8.3826 8.5319 8.5319 8.5581 8.5581 8.7216 8.7216 8.7704 8.7704 10.3580 10.3580 10.3680 10.3680 10.4590 10.4590 10.4743 10.4743 15.6918 15.6918 15.7471 15.7471 15.9690 15.9690 16.0281 16.0281 k = 0.2895 0.5014 0.5856 ( 4840 PWs) bands (ev): -16.3102 -16.3102 -16.3101 -16.3101 -8.9075 -8.9075 -8.8950 -8.8950 -8.2132 -8.2132 -8.2052 -8.2052 -7.9390 -7.9390 -7.9317 -7.9317 -2.8880 -2.8880 -2.8583 -2.8583 -1.0684 -1.0684 -0.9916 -0.9916 -0.8093 -0.8093 -0.7874 -0.7874 4.1219 4.1219 4.1365 4.1365 4.1824 4.1824 4.2221 4.2221 4.4262 4.4262 4.4535 4.4535 4.5749 4.5749 4.6393 4.6393 4.7151 4.7151 4.7604 4.7604 5.1612 5.1612 5.1718 5.1718 7.0212 7.0212 7.0317 7.0317 7.2361 7.2361 7.2573 7.2573 7.6446 7.6446 7.6766 7.6766 8.3404 8.3404 8.3856 8.3856 8.5294 8.5294 8.5568 8.5568 8.7255 8.7255 8.7729 8.7729 10.3547 10.3547 10.3652 10.3652 10.4658 10.4658 10.4818 10.4818 15.6810 15.6810 15.7342 15.7342 15.9530 15.9530 16.0090 16.0090 k = 0.2807 0.4862 0.5856 ( 4836 PWs) bands (ev): -16.3104 -16.3104 -16.3103 -16.3103 -8.9079 -8.9079 -8.8959 -8.8959 -8.2074 -8.2074 -8.1999 -8.1999 -7.9408 -7.9408 -7.9336 -7.9336 -2.8911 -2.8911 -2.8621 -2.8621 -1.0735 -1.0735 -0.9997 -0.9996 -0.8113 -0.8113 -0.7898 -0.7898 4.1164 4.1164 4.1318 4.1318 4.1892 4.1892 4.2304 4.2304 4.4295 4.4295 4.4573 4.4573 4.5737 4.5737 4.6325 4.6325 4.7188 4.7188 4.7679 4.7679 5.1601 5.1601 5.1707 5.1707 7.0227 7.0227 7.0327 7.0327 7.2420 7.2420 7.2623 7.2623 7.6529 7.6529 7.6840 7.6840 8.3459 8.3459 8.3894 8.3894 8.5266 8.5266 8.5553 8.5553 8.7300 8.7300 8.7759 8.7759 10.3523 10.3523 10.3627 10.3627 10.4732 10.4732 10.4897 10.4897 15.6674 15.6674 15.7180 15.7180 15.9321 15.9321 15.9846 15.9846 k = 0.2719 0.4710 0.5856 ( 4836 PWs) bands (ev): -16.3106 -16.3106 -16.3106 -16.3106 -8.9083 -8.9083 -8.8969 -8.8969 -8.2007 -8.2007 -8.1937 -8.1937 -7.9427 -7.9427 -7.9356 -7.9356 -2.8948 -2.8948 -2.8665 -2.8665 -1.0793 -1.0793 -1.0086 -1.0086 -0.8147 -0.8147 -0.7932 -0.7932 4.1109 4.1109 4.1273 4.1273 4.1968 4.1968 4.2393 4.2393 4.4332 4.4332 4.4617 4.4617 4.5726 4.5726 4.6254 4.6254 4.7233 4.7233 4.7761 4.7761 5.1585 5.1585 5.1692 5.1692 7.0251 7.0251 7.0346 7.0346 7.2486 7.2486 7.2679 7.2679 7.6625 7.6625 7.6926 7.6926 8.3525 8.3525 8.3941 8.3941 8.5235 8.5235 8.5537 8.5537 8.7349 8.7349 8.7792 8.7792 10.3509 10.3509 10.3610 10.3610 10.4810 10.4810 10.4977 10.4977 15.6509 15.6509 15.6987 15.6987 15.9060 15.9060 15.9548 15.9548 k = 0.2632 0.4558 0.5856 ( 4844 PWs) bands (ev): -16.3109 -16.3109 -16.3109 -16.3109 -8.9087 -8.9087 -8.8979 -8.8979 -8.1932 -8.1932 -8.1867 -8.1867 -7.9448 -7.9448 -7.9377 -7.9377 -2.8992 -2.8992 -2.8717 -2.8717 -1.0857 -1.0857 -1.0183 -1.0183 -0.8195 -0.8195 -0.7978 -0.7978 4.1054 4.1054 4.1230 4.1230 4.2053 4.2053 4.2490 4.2490 4.4374 4.4374 4.4665 4.4665 4.5714 4.5714 4.6184 4.6184 4.7288 4.7288 4.7847 4.7847 5.1563 5.1563 5.1672 5.1672 7.0288 7.0288 7.0377 7.0377 7.2559 7.2559 7.2742 7.2742 7.6732 7.6732 7.7024 7.7024 8.3599 8.3599 8.3994 8.3994 8.5201 8.5201 8.5521 8.5521 8.7402 8.7402 8.7826 8.7826 10.3506 10.3506 10.3603 10.3603 10.4889 10.4889 10.5057 10.5057 15.6315 15.6315 15.6763 15.6763 15.8747 15.8747 15.9197 15.9197 k = 0.2544 0.4406 0.5856 ( 4842 PWs) bands (ev): -16.3112 -16.3112 -16.3112 -16.3112 -8.9091 -8.9091 -8.8988 -8.8988 -8.1850 -8.1850 -8.1791 -8.1791 -7.9470 -7.9470 -7.9400 -7.9400 -2.9043 -2.9043 -2.8775 -2.8775 -1.0927 -1.0927 -1.0285 -1.0285 -0.8259 -0.8259 -0.8036 -0.8036 4.1000 4.1000 4.1189 4.1189 4.2147 4.2147 4.2594 4.2594 4.4420 4.4420 4.4717 4.4717 4.5705 4.5705 4.6116 4.6116 4.7350 4.7350 4.7936 4.7936 5.1536 5.1536 5.1647 5.1647 7.0337 7.0337 7.0422 7.0422 7.2637 7.2637 7.2810 7.2810 7.6851 7.6851 7.7131 7.7131 8.3683 8.3683 8.4054 8.4054 8.5167 8.5167 8.5508 8.5508 8.7457 8.7457 8.7863 8.7863 10.3516 10.3516 10.3606 10.3606 10.4969 10.4969 10.5136 10.5136 15.6093 15.6093 15.6508 15.6508 15.8385 15.8385 15.8797 15.8797 k = 0.2456 0.4254 0.5856 ( 4846 PWs) bands (ev): -16.3116 -16.3116 -16.3116 -16.3116 -8.9094 -8.9094 -8.8998 -8.8998 -8.1761 -8.1761 -8.1707 -8.1707 -7.9492 -7.9492 -7.9423 -7.9423 -2.9100 -2.9100 -2.8839 -2.8839 -1.1002 -1.1002 -1.0393 -1.0393 -0.8339 -0.8339 -0.8108 -0.8108 4.0947 4.0947 4.1149 4.1149 4.2251 4.2251 4.2704 4.2704 4.4470 4.4470 4.4772 4.4772 4.5700 4.5700 4.6052 4.6052 4.7419 4.7419 4.8028 4.8028 5.1503 5.1503 5.1616 5.1616 7.0401 7.0401 7.0481 7.0481 7.2718 7.2718 7.2882 7.2882 7.6980 7.6980 7.7249 7.7249 8.3773 8.3773 8.4119 8.4119 8.5135 8.5135 8.5499 8.5499 8.7512 8.7512 8.7900 8.7900 10.3537 10.3537 10.3621 10.3621 10.5048 10.5048 10.5214 10.5214 15.5842 15.5842 15.6225 15.6225 15.7977 15.7977 15.8353 15.8353 k = 0.2368 0.4102 0.5856 ( 4846 PWs) bands (ev): -16.3120 -16.3120 -16.3120 -16.3120 -8.9097 -8.9097 -8.9007 -8.9007 -8.1666 -8.1666 -8.1618 -8.1618 -7.9514 -7.9514 -7.9446 -7.9446 -2.9164 -2.9164 -2.8909 -2.8909 -1.1081 -1.1081 -1.0505 -1.0505 -0.8435 -0.8435 -0.8194 -0.8194 4.0896 4.0896 4.1109 4.1109 4.2365 4.2365 4.2820 4.2820 4.4522 4.4522 4.4828 4.4828 4.5700 4.5700 4.5996 4.5996 4.7494 4.7494 4.8122 4.8122 5.1464 5.1464 5.1580 5.1580 7.0479 7.0479 7.0555 7.0555 7.2803 7.2803 7.2958 7.2958 7.7120 7.7120 7.7376 7.7376 8.3866 8.3866 8.4185 8.4185 8.5109 8.5109 8.5496 8.5496 8.7569 8.7569 8.7938 8.7938 10.3570 10.3570 10.3648 10.3648 10.5127 10.5127 10.5291 10.5291 15.5564 15.5564 15.5914 15.5914 15.7530 15.7530 15.7872 15.7872 k = 0.2281 0.3950 0.5856 ( 4854 PWs) bands (ev): -16.3125 -16.3125 -16.3125 -16.3124 -8.9098 -8.9098 -8.9015 -8.9015 -8.1566 -8.1566 -8.1524 -8.1524 -7.9536 -7.9536 -7.9469 -7.9469 -2.9234 -2.9234 -2.8985 -2.8985 -1.1163 -1.1163 -1.0620 -1.0620 -0.8546 -0.8546 -0.8295 -0.8295 4.0845 4.0845 4.1069 4.1069 4.2488 4.2488 4.2941 4.2941 4.4575 4.4575 4.4883 4.4883 4.5709 4.5709 4.5950 4.5950 4.7574 4.7574 4.8218 4.8218 5.1418 5.1418 5.1539 5.1539 7.0573 7.0573 7.0645 7.0645 7.2889 7.2889 7.3036 7.3036 7.7269 7.7269 7.7513 7.7513 8.3958 8.3958 8.4248 8.4248 8.5091 8.5091 8.5504 8.5504 8.7625 8.7625 8.7976 8.7976 10.3615 10.3615 10.3688 10.3688 10.5204 10.5204 10.5365 10.5365 15.5260 15.5260 15.5577 15.5577 15.7052 15.7052 15.7360 15.7360 k = 0.2193 0.3798 0.5856 ( 4850 PWs) bands (ev): -16.3130 -16.3130 -16.3129 -16.3129 -8.9099 -8.9099 -8.9023 -8.9023 -8.1462 -8.1462 -8.1425 -8.1425 -7.9557 -7.9557 -7.9491 -7.9491 -2.9309 -2.9309 -2.9067 -2.9067 -1.1248 -1.1248 -1.0738 -1.0738 -0.8672 -0.8672 -0.8410 -0.8410 4.0796 4.0796 4.1029 4.1029 4.2620 4.2620 4.3066 4.3066 4.4627 4.4627 4.4936 4.4936 4.5729 4.5729 4.5917 4.5917 4.7659 4.7659 4.8315 4.8315 5.1367 5.1367 5.1493 5.1493 7.0681 7.0681 7.0752 7.0752 7.2977 7.2977 7.3115 7.3115 7.7428 7.7428 7.7659 7.7659 8.4046 8.4046 8.4304 8.4304 8.5089 8.5089 8.5525 8.5525 8.7680 8.7680 8.8014 8.8014 10.3672 10.3672 10.3742 10.3742 10.5279 10.5279 10.5437 10.5437 15.4930 15.4930 15.5215 15.5215 15.6548 15.6548 15.6826 15.6826 k = 0.2105 0.3646 0.5856 ( 4850 PWs) bands (ev): -16.3135 -16.3135 -16.3135 -16.3135 -8.9099 -8.9099 -8.9029 -8.9029 -8.1355 -8.1355 -8.1323 -8.1323 -7.9577 -7.9577 -7.9511 -7.9511 -2.9390 -2.9390 -2.9153 -2.9153 -1.1336 -1.1336 -1.0858 -1.0858 -0.8812 -0.8812 -0.8538 -0.8538 4.0749 4.0749 4.0987 4.0987 4.2760 4.2760 4.3194 4.3194 4.4676 4.4676 4.4985 4.4985 4.5763 4.5763 4.5901 4.5901 4.7748 4.7748 4.8411 4.8411 5.1311 5.1311 5.1442 5.1442 7.0804 7.0804 7.0874 7.0874 7.3065 7.3065 7.3196 7.3196 7.7596 7.7596 7.7814 7.7814 8.4122 8.4122 8.4345 8.4345 8.5110 8.5110 8.5564 8.5564 8.7734 8.7734 8.8050 8.8050 10.3739 10.3739 10.3809 10.3809 10.5352 10.5352 10.5506 10.5506 15.4576 15.4576 15.4832 15.4832 15.6028 15.6028 15.6278 15.6278 k = 0.2018 0.3494 0.5856 ( 4838 PWs) bands (ev): -16.3140 -16.3140 -16.3140 -16.3140 -8.9098 -8.9098 -8.9034 -8.9034 -8.1247 -8.1247 -8.1218 -8.1218 -7.9596 -7.9596 -7.9531 -7.9531 -2.9476 -2.9476 -2.9243 -2.9243 -1.1426 -1.1426 -1.0979 -1.0979 -0.8963 -0.8963 -0.8679 -0.8679 4.0701 4.0701 4.0944 4.0944 4.2906 4.2906 4.3321 4.3321 4.4718 4.4718 4.5025 4.5025 4.5812 4.5812 4.5910 4.5910 4.7841 4.7841 4.8509 4.8509 5.1250 5.1250 5.1387 5.1387 7.0942 7.0942 7.1011 7.1011 7.3153 7.3153 7.3277 7.3277 7.7772 7.7772 7.7977 7.7977 8.4183 8.4183 8.4368 8.4368 8.5162 8.5162 8.5622 8.5622 8.7786 8.7786 8.8085 8.8085 10.3817 10.3817 10.3889 10.3889 10.5422 10.5422 10.5572 10.5572 15.4197 15.4197 15.4429 15.4429 15.5497 15.5497 15.5722 15.5722 k = 0.1930 0.3343 0.5856 ( 4846 PWs) bands (ev): -16.3146 -16.3146 -16.3146 -16.3146 -8.9095 -8.9095 -8.9038 -8.9038 -8.1137 -8.1137 -8.1110 -8.1110 -7.9613 -7.9613 -7.9548 -7.9548 -2.9567 -2.9567 -2.9337 -2.9337 -1.1517 -1.1517 -1.1102 -1.1102 -0.9126 -0.9126 -0.8832 -0.8832 4.0655 4.0655 4.0899 4.0899 4.3055 4.3055 4.3447 4.3447 4.4752 4.4752 4.5053 4.5053 4.5874 4.5874 4.5951 4.5951 4.7935 4.7935 4.8605 4.8605 5.1185 5.1185 5.1330 5.1330 7.1092 7.1092 7.1162 7.1162 7.3239 7.3239 7.3357 7.3357 7.7955 7.7955 7.8148 7.8148 8.4224 8.4224 8.4370 8.4370 8.5245 8.5245 8.5701 8.5701 8.7836 8.7836 8.8118 8.8118 10.3905 10.3905 10.3979 10.3979 10.5489 10.5489 10.5635 10.5635 15.3796 15.3796 15.4009 15.4009 15.4961 15.4961 15.5166 15.5166 k = 0.1842 0.3191 0.5856 ( 4854 PWs) bands (ev): -16.3152 -16.3152 -16.3152 -16.3152 -8.9092 -8.9092 -8.9041 -8.9041 -8.1027 -8.1027 -8.1000 -8.1000 -7.9628 -7.9628 -7.9564 -7.9564 -2.9661 -2.9661 -2.9435 -2.9435 -1.1609 -1.1609 -1.1226 -1.1226 -0.9297 -0.9297 -0.8995 -0.8995 4.0608 4.0608 4.0852 4.0852 4.3205 4.3205 4.3570 4.3570 4.4776 4.4776 4.5068 4.5068 4.5946 4.5946 4.6029 4.6029 4.8032 4.8032 4.8700 4.8700 5.1116 5.1116 5.1269 5.1269 7.1254 7.1254 7.1327 7.1327 7.3325 7.3325 7.3437 7.3437 7.8146 7.8146 7.8325 7.8325 8.4245 8.4245 8.4354 8.4354 8.5358 8.5358 8.5800 8.5800 8.7883 8.7883 8.8150 8.8150 10.4002 10.4002 10.4081 10.4081 10.5553 10.5553 10.5694 10.5694 15.3373 15.3373 15.3577 15.3577 15.4425 15.4425 15.4616 15.4616 k = 0.1754 0.3039 0.5856 ( 4858 PWs) bands (ev): -16.3158 -16.3158 -16.3158 -16.3158 -8.9088 -8.9088 -8.9043 -8.9043 -8.0918 -8.0918 -8.0890 -8.0890 -7.9641 -7.9641 -7.9577 -7.9577 -2.9758 -2.9758 -2.9536 -2.9536 -1.1702 -1.1702 -1.1350 -1.1350 -0.9475 -0.9475 -0.9166 -0.9166 4.0562 4.0562 4.0804 4.0804 4.3354 4.3354 4.3689 4.3689 4.4792 4.4792 4.5070 4.5070 4.6032 4.6032 4.6142 4.6142 4.8130 4.8130 4.8793 4.8793 5.1045 5.1045 5.1207 5.1207 7.1427 7.1427 7.1502 7.1502 7.3408 7.3408 7.3515 7.3515 7.8344 7.8344 7.8509 7.8509 8.4249 8.4249 8.4325 8.4325 8.5495 8.5495 8.5917 8.5917 8.7928 8.7928 8.8179 8.8179 10.4107 10.4107 10.4191 10.4191 10.5614 10.5614 10.5750 10.5750 15.2931 15.2931 15.3135 15.3135 15.3893 15.3893 15.4077 15.4077 k = 0.1667 0.2887 0.5856 ( 4858 PWs) bands (ev): -16.3165 -16.3165 -16.3165 -16.3165 -8.9083 -8.9083 -8.9043 -8.9043 -8.0809 -8.0809 -8.0779 -8.0779 -7.9651 -7.9651 -7.9589 -7.9589 -2.9858 -2.9858 -2.9639 -2.9639 -1.1796 -1.1796 -1.1474 -1.1474 -0.9657 -0.9657 -0.9344 -0.9344 4.0516 4.0516 4.0755 4.0755 4.3498 4.3498 4.3803 4.3803 4.4801 4.4801 4.5063 4.5063 4.6135 4.6135 4.6281 4.6281 4.8229 4.8229 4.8884 4.8884 5.0972 5.0972 5.1144 5.1144 7.1609 7.1609 7.1688 7.1688 7.3489 7.3489 7.3592 7.3592 7.8547 7.8547 7.8699 7.8699 8.4238 8.4238 8.4289 8.4289 8.5650 8.5650 8.6050 8.6050 8.7970 8.7970 8.8206 8.8206 10.4220 10.4220 10.4310 10.4310 10.5671 10.5671 10.5802 10.5802 15.2477 15.2477 15.2686 15.2686 15.3370 15.3370 15.3549 15.3549 k = 0.1579 0.2735 0.5856 ( 4850 PWs) bands (ev): -16.3171 -16.3171 -16.3171 -16.3171 -8.9077 -8.9077 -8.9043 -8.9043 -8.0703 -8.0703 -8.0670 -8.0670 -7.9659 -7.9659 -7.9598 -7.9598 -2.9959 -2.9959 -2.9743 -2.9743 -1.1889 -1.1889 -1.1599 -1.1599 -0.9841 -0.9841 -0.9526 -0.9526 4.0471 4.0471 4.0705 4.0705 4.3635 4.3635 4.3912 4.3912 4.4804 4.4804 4.5047 4.5047 4.6253 4.6253 4.6442 4.6442 4.8329 4.8329 4.8973 4.8973 5.0899 5.0899 5.1080 5.1080 7.1799 7.1799 7.1881 7.1881 7.3568 7.3568 7.3667 7.3667 7.8754 7.8754 7.8893 7.8893 8.4213 8.4213 8.4249 8.4249 8.5818 8.5818 8.6195 8.6195 8.8010 8.8010 8.8231 8.8231 10.4340 10.4340 10.4436 10.4436 10.5725 10.5725 10.5850 10.5850 15.2017 15.2017 15.2232 15.2232 15.2858 15.2858 15.3035 15.3035 k = 0.1491 0.2583 0.5856 ( 4854 PWs) bands (ev): -16.3178 -16.3178 -16.3178 -16.3177 -8.9071 -8.9071 -8.9041 -8.9041 -8.0598 -8.0598 -8.0562 -8.0562 -7.9665 -7.9665 -7.9604 -7.9604 -3.0061 -3.0061 -2.9849 -2.9849 -1.1983 -1.1983 -1.1722 -1.1722 -1.0026 -1.0026 -0.9711 -0.9711 4.0425 4.0425 4.0653 4.0653 4.3762 4.3762 4.4016 4.4016 4.4803 4.4803 4.5027 4.5027 4.6385 4.6385 4.6619 4.6619 4.8428 4.8428 4.9058 4.9058 5.0825 5.0825 5.1016 5.1016 7.1994 7.1994 7.2080 7.2080 7.3644 7.3644 7.3739 7.3739 7.8966 7.8966 7.9091 7.9091 8.4176 8.4176 8.4211 8.4211 8.5994 8.5994 8.6349 8.6349 8.8046 8.8046 8.8253 8.8253 10.4466 10.4466 10.4566 10.4566 10.5774 10.5774 10.5894 10.5894 15.1558 15.1558 15.1778 15.1778 15.2361 15.2361 15.2534 15.2534 k = 0.1404 0.2431 0.5856 ( 4858 PWs) bands (ev): -16.3184 -16.3184 -16.3184 -16.3184 -8.9064 -8.9064 -8.9039 -8.9039 -8.0496 -8.0496 -8.0457 -8.0457 -7.9668 -7.9668 -7.9608 -7.9608 -3.0163 -3.0163 -2.9955 -2.9955 -1.2077 -1.2077 -1.1845 -1.1845 -1.0208 -1.0208 -0.9896 -0.9896 4.0381 4.0381 4.0600 4.0600 4.3879 4.3879 4.4114 4.4114 4.4799 4.4799 4.5005 4.5005 4.6529 4.6529 4.6809 4.6809 4.8526 4.8526 4.9139 4.9139 5.0752 5.0752 5.0953 5.0953 7.2194 7.2194 7.2282 7.2282 7.3717 7.3717 7.3808 7.3808 7.9180 7.9180 7.9291 7.9291 8.4131 8.4131 8.4172 8.4172 8.6176 8.6176 8.6510 8.6510 8.8078 8.8078 8.8273 8.8273 10.4595 10.4595 10.4699 10.4699 10.5820 10.5820 10.5934 10.5934 15.1107 15.1107 15.1328 15.1328 15.1878 15.1878 15.2045 15.2045 k = 0.1316 0.2279 0.5856 ( 4874 PWs) bands (ev): -16.3191 -16.3191 -16.3190 -16.3190 -8.9057 -8.9057 -8.9036 -8.9036 -8.0397 -8.0397 -8.0356 -8.0356 -7.9669 -7.9669 -7.9611 -7.9611 -3.0263 -3.0263 -3.0061 -3.0061 -1.2170 -1.2170 -1.1967 -1.1967 -1.0386 -1.0386 -1.0079 -1.0079 4.0337 4.0337 4.0547 4.0547 4.3983 4.3983 4.4206 4.4206 4.4792 4.4792 4.4980 4.4980 4.6681 4.6681 4.7007 4.7007 4.8623 4.8623 4.9216 4.9216 5.0681 5.0681 5.0890 5.0890 7.2395 7.2395 7.2486 7.2486 7.3787 7.3787 7.3874 7.3874 7.9395 7.9395 7.9493 7.9493 8.4083 8.4083 8.4132 8.4132 8.6361 8.6361 8.6674 8.6674 8.8108 8.8108 8.8289 8.8289 10.4728 10.4728 10.4835 10.4835 10.5862 10.5862 10.5970 10.5970 15.0669 15.0669 15.0887 15.0887 15.1411 15.1411 15.1569 15.1569 k = 0.1228 0.2127 0.5856 ( 4858 PWs) bands (ev): -16.3197 -16.3197 -16.3197 -16.3197 -8.9050 -8.9050 -8.9032 -8.9032 -8.0302 -8.0302 -8.0258 -8.0258 -7.9668 -7.9668 -7.9611 -7.9611 -3.0362 -3.0362 -3.0166 -3.0166 -1.2262 -1.2262 -1.2087 -1.2087 -1.0558 -1.0558 -1.0259 -1.0259 4.0294 4.0294 4.0495 4.0495 4.4078 4.4078 4.4292 4.4292 4.4786 4.4786 4.4957 4.4957 4.6842 4.6842 4.7211 4.7211 4.8717 4.8717 4.9288 4.9288 5.0613 5.0613 5.0828 5.0828 7.2596 7.2596 7.2689 7.2689 7.3854 7.3854 7.3937 7.3937 7.9609 7.9609 7.9695 7.9695 8.4035 8.4035 8.4091 8.4091 8.6548 8.6548 8.6841 8.6841 8.8135 8.8135 8.8304 8.8304 10.4863 10.4863 10.4972 10.4972 10.5901 10.5901 10.6002 10.6002 15.0250 15.0250 15.0460 15.0460 15.0960 15.0960 15.1106 15.1106 k = 0.1140 0.1975 0.5856 ( 4870 PWs) bands (ev): -16.3203 -16.3203 -16.3203 -16.3203 -8.9043 -8.9043 -8.9028 -8.9028 -8.0211 -8.0211 -8.0166 -8.0166 -7.9664 -7.9664 -7.9609 -7.9609 -3.0458 -3.0458 -3.0269 -3.0269 -1.2353 -1.2353 -1.2205 -1.2205 -1.0721 -1.0721 -1.0433 -1.0433 4.0252 4.0252 4.0442 4.0442 4.4161 4.4161 4.4370 4.4370 4.4779 4.4779 4.4933 4.4933 4.7007 4.7007 4.7416 4.7416 4.8807 4.8807 4.9354 4.9354 5.0547 5.0547 5.0767 5.0767 7.2795 7.2795 7.2889 7.2889 7.3917 7.3917 7.3996 7.3996 7.9822 7.9822 7.9895 7.9895 8.3987 8.3987 8.4048 8.4048 8.6733 8.6733 8.7006 8.7006 8.8158 8.8158 8.8315 8.8315 10.4997 10.4997 10.5107 10.5107 10.5935 10.5935 10.6030 10.6030 14.9852 14.9852 15.0053 15.0053 15.0525 15.0525 15.0659 15.0659 k = 0.1053 0.1823 0.5856 ( 4874 PWs) bands (ev): -16.3209 -16.3209 -16.3209 -16.3209 -8.9036 -8.9036 -8.9023 -8.9023 -8.0124 -8.0124 -8.0078 -8.0078 -7.9658 -7.9658 -7.9606 -7.9606 -3.0550 -3.0550 -3.0370 -3.0370 -1.2443 -1.2443 -1.2320 -1.2320 -1.0874 -1.0874 -1.0600 -1.0600 4.0212 4.0212 4.0390 4.0390 4.4236 4.4236 4.4440 4.4440 4.4772 4.4772 4.4910 4.4910 4.7174 4.7174 4.7621 4.7621 4.8893 4.8893 4.9414 4.9414 5.0486 5.0486 5.0707 5.0707 7.2989 7.2989 7.3084 7.3084 7.3976 7.3976 7.4051 7.4051 8.0031 8.0031 8.0092 8.0092 8.3941 8.3941 8.4006 8.4006 8.6915 8.6915 8.7168 8.7168 8.8178 8.8178 8.8324 8.8324 10.5130 10.5130 10.5239 10.5239 10.5966 10.5966 10.6054 10.6054 14.9478 14.9478 14.9668 14.9668 15.0107 15.0107 15.0228 15.0228 k = 0.0965 0.1671 0.5856 ( 4866 PWs) bands (ev): -16.3215 -16.3215 -16.3215 -16.3215 -8.9029 -8.9029 -8.9018 -8.9018 -8.0043 -8.0043 -7.9997 -7.9997 -7.9651 -7.9651 -7.9601 -7.9601 -3.0638 -3.0638 -3.0467 -3.0467 -1.2531 -1.2531 -1.2432 -1.2432 -1.1016 -1.1016 -1.0758 -1.0758 4.0174 4.0174 4.0340 4.0340 4.4304 4.4304 4.4501 4.4501 4.4766 4.4766 4.4889 4.4889 4.7342 4.7342 4.7823 4.7823 4.8971 4.8971 4.9468 4.9468 5.0430 5.0430 5.0649 5.0649 7.3177 7.3177 7.3272 7.3272 7.4032 7.4032 7.4102 7.4102 8.0235 8.0235 8.0285 8.0285 8.3898 8.3898 8.3964 8.3964 8.7092 8.7092 8.7326 8.7326 8.8197 8.8197 8.8330 8.8330 10.5260 10.5260 10.5367 10.5367 10.5993 10.5993 10.6075 10.6075 14.9131 14.9131 14.9309 14.9309 14.9709 14.9709 14.9817 14.9817 k = 0.0877 0.1519 0.5856 ( 4862 PWs) bands (ev): -16.3220 -16.3220 -16.3220 -16.3220 -8.9022 -8.9022 -8.9014 -8.9014 -7.9967 -7.9967 -7.9922 -7.9922 -7.9642 -7.9642 -7.9595 -7.9595 -3.0720 -3.0720 -3.0560 -3.0560 -1.2617 -1.2617 -1.2539 -1.2539 -1.1145 -1.1145 -1.0905 -1.0905 4.0139 4.0139 4.0291 4.0291 4.4365 4.4365 4.4552 4.4552 4.4760 4.4760 4.4869 4.4869 4.7508 4.7508 4.8020 4.8020 4.9040 4.9040 4.9516 4.9516 5.0380 5.0380 5.0591 5.0591 7.3357 7.3357 7.3450 7.3450 7.4083 7.4083 7.4149 7.4149 8.0432 8.0432 8.0471 8.0471 8.3857 8.3857 8.3923 8.3923 8.7262 8.7262 8.7477 8.7477 8.8213 8.8213 8.8335 8.8335 10.5386 10.5386 10.5490 10.5490 10.6017 10.6017 10.6092 10.6092 14.8813 14.8813 14.8978 14.8978 14.9333 14.9333 14.9428 14.9428 k = 0.0789 0.1367 0.5856 ( 4850 PWs) bands (ev): -16.3225 -16.3225 -16.3225 -16.3225 -8.9016 -8.9016 -8.9009 -8.9009 -7.9897 -7.9897 -7.9854 -7.9854 -7.9632 -7.9632 -7.9588 -7.9588 -3.0797 -3.0797 -3.0648 -3.0648 -1.2700 -1.2700 -1.2640 -1.2640 -1.1261 -1.1261 -1.1041 -1.1041 4.0106 4.0106 4.0245 4.0245 4.4421 4.4421 4.4596 4.4596 4.4756 4.4756 4.4850 4.4850 4.7670 4.7670 4.8210 4.8210 4.9098 4.9098 4.9558 4.9558 5.0337 5.0337 5.0533 5.0533 7.3526 7.3526 7.3616 7.3616 7.4131 7.4131 7.4192 7.4192 8.0618 8.0618 8.0649 8.0649 8.3820 8.3820 8.3884 8.3884 8.7423 8.7423 8.7618 8.7618 8.8228 8.8228 8.8338 8.8338 10.5506 10.5506 10.5605 10.5605 10.6038 10.6038 10.6106 10.6106 14.8525 14.8525 14.8676 14.8676 14.8981 14.8981 14.9064 14.9064 k = 0.0702 0.1215 0.5856 ( 4854 PWs) bands (ev): -16.3230 -16.3230 -16.3230 -16.3230 -8.9010 -8.9010 -8.9004 -8.9004 -7.9833 -7.9833 -7.9793 -7.9793 -7.9621 -7.9621 -7.9581 -7.9581 -3.0866 -3.0866 -3.0730 -3.0730 -1.2778 -1.2778 -1.2735 -1.2735 -1.1363 -1.1363 -1.1165 -1.1165 4.0077 4.0077 4.0201 4.0201 4.4471 4.4471 4.4630 4.4630 4.4753 4.4753 4.4833 4.4833 4.7828 4.7828 4.8393 4.8393 4.9142 4.9142 4.9594 4.9594 5.0301 5.0301 5.0476 5.0476 7.3682 7.3682 7.3768 7.3768 7.4175 7.4175 7.4230 7.4230 8.0793 8.0793 8.0816 8.0816 8.3786 8.3786 8.3847 8.3847 8.7572 8.7572 8.7747 8.7747 8.8243 8.8243 8.8340 8.8340 10.5618 10.5618 10.5710 10.5710 10.6057 10.6057 10.6118 10.6118 14.8268 14.8268 14.8404 14.8404 14.8656 14.8656 14.8729 14.8729 k = 0.0614 0.1064 0.5856 ( 4846 PWs) bands (ev): -16.3234 -16.3234 -16.3234 -16.3234 -8.9005 -8.9005 -8.9000 -8.9000 -7.9777 -7.9777 -7.9741 -7.9741 -7.9608 -7.9608 -7.9573 -7.9573 -3.0927 -3.0927 -3.0806 -3.0806 -1.2851 -1.2851 -1.2822 -1.2822 -1.1451 -1.1451 -1.1276 -1.1276 4.0051 4.0051 4.0160 4.0160 4.4517 4.4517 4.4656 4.4656 4.4751 4.4751 4.4818 4.4818 4.7979 4.7979 4.8565 4.8565 4.9169 4.9169 4.9627 4.9627 5.0272 5.0272 5.0420 5.0420 7.3825 7.3825 7.3905 7.3905 7.4216 7.4216 7.4265 7.4265 8.0954 8.0954 8.0970 8.0970 8.3756 8.3756 8.3812 8.3812 8.7708 8.7708 8.7862 8.7862 8.8259 8.8259 8.8342 8.8342 10.5721 10.5721 10.5806 10.5806 10.6073 10.6073 10.6126 10.6126 14.8041 14.8041 14.8162 14.8162 14.8361 14.8361 14.8424 14.8424 k = 0.0526 0.0912 0.5856 ( 4854 PWs) bands (ev): -16.3238 -16.3238 -16.3238 -16.3238 -8.9000 -8.9000 -8.8996 -8.8996 -7.9728 -7.9728 -7.9697 -7.9697 -7.9593 -7.9593 -7.9565 -7.9565 -3.0981 -3.0981 -3.0875 -3.0875 -1.2918 -1.2918 -1.2899 -1.2899 -1.1525 -1.1525 -1.1374 -1.1374 4.0028 4.0028 4.0123 4.0123 4.4558 4.4558 4.4675 4.4675 4.4749 4.4749 4.4804 4.4804 4.8123 4.8123 4.8724 4.8724 4.9180 4.9180 4.9655 4.9655 5.0249 5.0249 5.0365 5.0365 7.3951 7.3951 7.4024 7.4024 7.4252 7.4252 7.4295 7.4295 8.1099 8.1099 8.1110 8.1110 8.3729 8.3729 8.3780 8.3780 8.7827 8.7827 8.7958 8.7958 8.8277 8.8277 8.8346 8.8346 10.5813 10.5813 10.5889 10.5889 10.6088 10.6088 10.6133 10.6133 14.7846 14.7846 14.7952 14.7952 14.8100 14.8100 14.8152 14.8152 k = 0.0439 0.0760 0.5856 ( 4858 PWs) bands (ev): -16.3241 -16.3241 -16.3241 -16.3241 -8.8996 -8.8996 -8.8993 -8.8993 -7.9687 -7.9687 -7.9663 -7.9663 -7.9578 -7.9578 -7.9557 -7.9557 -3.1026 -3.1026 -3.0936 -3.0936 -1.2978 -1.2978 -1.2967 -1.2967 -1.1586 -1.1586 -1.1459 -1.1459 4.0010 4.0010 4.0090 4.0090 4.4595 4.4595 4.4689 4.4689 4.4748 4.4748 4.4792 4.4792 4.8260 4.8260 4.8865 4.8865 4.9182 4.9182 4.9676 4.9676 5.0231 5.0231 5.0313 5.0313 7.4060 7.4060 7.4124 7.4124 7.4286 7.4286 7.4321 7.4321 8.1226 8.1226 8.1233 8.1233 8.3707 8.3707 8.3752 8.3752 8.7928 8.7928 8.8033 8.8033 8.8301 8.8301 8.8352 8.8352 10.5893 10.5893 10.5958 10.5958 10.6102 10.6102 10.6139 10.6139 14.7682 14.7682 14.7772 14.7772 14.7875 14.7875 14.7918 14.7918 k = 0.0351 0.0608 0.5856 ( 4858 PWs) bands (ev): -16.3244 -16.3244 -16.3244 -16.3244 -8.8993 -8.8993 -8.8990 -8.8990 -7.9655 -7.9655 -7.9639 -7.9639 -7.9561 -7.9561 -7.9548 -7.9548 -3.1061 -3.1061 -3.0988 -3.0988 -1.3029 -1.3029 -1.3023 -1.3023 -1.1632 -1.1632 -1.1531 -1.1531 3.9996 3.9996 4.0060 4.0060 4.4629 4.4629 4.4699 4.4699 4.4745 4.4745 4.4781 4.4781 4.8389 4.8389 4.8965 4.8965 4.9195 4.9195 4.9686 4.9686 5.0217 5.0217 5.0267 5.0267 7.4150 7.4150 7.4202 7.4202 7.4319 7.4319 7.4344 7.4344 8.1332 8.1332 8.1336 8.1336 8.3690 8.3690 8.3727 8.3727 8.8007 8.8007 8.8085 8.8085 8.8330 8.8331 8.8362 8.8362 10.5960 10.5960 10.6012 10.6012 10.6117 10.6117 10.6144 10.6144 14.7549 14.7549 14.7622 14.7622 14.7689 14.7689 14.7722 14.7722 k = 0.0263 0.0456 0.5856 ( 4866 PWs) bands (ev): -16.3246 -16.3246 -16.3246 -16.3246 -8.8990 -8.8990 -8.8988 -8.8988 -7.9631 -7.9631 -7.9622 -7.9622 -7.9546 -7.9546 -7.9540 -7.9540 -3.1087 -3.1087 -3.1032 -3.1032 -1.3070 -1.3070 -1.3067 -1.3067 -1.1665 -1.1665 -1.1589 -1.1589 3.9987 3.9987 4.0035 4.0035 4.4658 4.4658 4.4707 4.4707 4.4741 4.4741 4.4769 4.4769 4.8509 4.8509 4.8989 4.8989 4.9257 4.9257 4.9679 4.9679 5.0205 5.0205 5.0229 5.0229 7.4218 7.4218 7.4255 7.4255 7.4351 7.4351 7.4366 7.4366 8.1417 8.1417 8.1419 8.1419 8.3677 8.3677 8.3706 8.3706 8.8065 8.8065 8.8117 8.8117 8.8361 8.8361 8.8376 8.8376 10.6011 10.6011 10.6048 10.6048 10.6134 10.6134 10.6150 10.6150 14.7447 14.7447 14.7500 14.7500 14.7547 14.7547 14.7568 14.7568 k = 0.0175 0.0304 0.5856 ( 4862 PWs) bands (ev): -16.3247 -16.3247 -16.3247 -16.3247 -8.8988 -8.8988 -8.8987 -8.8987 -7.9616 -7.9616 -7.9611 -7.9611 -7.9533 -7.9533 -7.9531 -7.9531 -3.1103 -3.1103 -3.1066 -3.1066 -1.3100 -1.3100 -1.3099 -1.3099 -1.1685 -1.1685 -1.1634 -1.1634 3.9983 3.9983 4.0015 4.0015 4.4685 4.4685 4.4713 4.4713 4.4736 4.4736 4.4757 4.4757 4.8620 4.8620 4.8954 4.8954 4.9352 4.9352 4.9653 4.9653 5.0196 5.0196 5.0204 5.0204 7.4265 7.4265 7.4287 7.4287 7.4380 7.4380 7.4385 7.4385 8.1479 8.1479 8.1480 8.1480 8.3670 8.3670 8.3689 8.3689 8.8103 8.8103 8.8134 8.8134 8.8387 8.8387 8.8392 8.8392 10.6046 10.6046 10.6068 10.6068 10.6151 10.6151 10.6157 10.6157 14.7374 14.7374 14.7407 14.7407 14.7449 14.7449 14.7458 14.7458 k = 0.0088 0.0152 0.5856 ( 4868 PWs) bands (ev): -16.3248 -16.3248 -16.3248 -16.3248 -8.8987 -8.8987 -8.8986 -8.8986 -7.9607 -7.9607 -7.9605 -7.9605 -7.9526 -7.9526 -7.9525 -7.9525 -3.1109 -3.1109 -3.1090 -3.1090 -1.3118 -1.3118 -1.3118 -1.3118 -1.1692 -1.1692 -1.1667 -1.1667 3.9984 3.9984 4.0000 4.0000 4.4707 4.4707 4.4719 4.4719 4.4730 4.4730 4.4743 4.4743 4.8721 4.8721 4.8891 4.8891 4.9449 4.9449 4.9604 4.9604 5.0189 5.0189 5.0190 5.0190 7.4291 7.4291 7.4301 7.4301 7.4400 7.4400 7.4401 7.4401 8.1516 8.1516 8.1517 8.1517 8.3667 8.3667 8.3677 8.3677 8.8125 8.8125 8.8140 8.8140 8.8404 8.8404 8.8405 8.8405 10.6067 10.6067 10.6076 10.6076 10.6163 10.6163 10.6164 10.6164 14.7331 14.7331 14.7345 14.7345 14.7393 14.7393 14.7394 14.7394 k = 0.0000 0.0000 0.5856 ( 4868 PWs) bands (ev): -16.3248 -16.3248 -16.3248 -16.3248 -8.8986 -8.8986 -8.8986 -8.8986 -7.9604 -7.9604 -7.9604 -7.9604 -7.9523 -7.9523 -7.9523 -7.9523 -3.1104 -3.1104 -3.1104 -3.1104 -1.3125 -1.3125 -1.3125 -1.3125 -1.1686 -1.1686 -1.1686 -1.1686 3.9989 3.9989 3.9989 3.9989 4.4723 4.4723 4.4723 4.4723 4.4728 4.4728 4.4728 4.4728 4.8812 4.8812 4.8812 4.8812 4.9535 4.9535 4.9535 4.9535 5.0186 5.0186 5.0186 5.0186 7.4303 7.4303 7.4303 7.4303 7.4407 7.4407 7.4407 7.4407 8.1529 8.1529 8.1529 8.1529 8.3669 8.3669 8.3669 8.3669 8.8137 8.8137 8.8137 8.8137 8.8410 8.8410 8.8410 8.8410 10.6076 10.6076 10.6076 10.6076 10.6167 10.6167 10.6167 10.6167 14.7320 14.7320 14.7320 14.7320 14.7374 14.7374 14.7374 14.7374 k = 0.5000 0.2887 0.5856 ( 4860 PWs) bands (ev): -16.3114 -16.3114 -16.3114 -16.3114 -8.9127 -8.9127 -8.9127 -8.9127 -8.1228 -8.1228 -8.1228 -8.1228 -7.9915 -7.9915 -7.9915 -7.9915 -2.8981 -2.8981 -2.8981 -2.8981 -1.1027 -1.1027 -1.1027 -1.1027 -0.7657 -0.7657 -0.7657 -0.7657 4.0688 4.0688 4.0688 4.0688 4.2486 4.2486 4.2486 4.2486 4.5063 4.5063 4.5063 4.5063 4.5462 4.5462 4.5462 4.5462 4.7505 4.7505 4.7505 4.7505 5.1817 5.1817 5.1817 5.1817 6.9961 6.9961 6.9961 6.9961 7.2635 7.2635 7.2635 7.2635 7.7895 7.7895 7.7895 7.7895 8.3420 8.3420 8.3420 8.3420 8.5487 8.5487 8.5487 8.5487 8.8162 8.8162 8.8162 8.8162 10.2821 10.2821 10.2821 10.2821 10.5775 10.5775 10.5775 10.5775 15.6868 15.6868 15.6868 15.6868 15.8785 15.8785 15.8785 15.8785 k = 0.5000 0.2887 0.5678 ( 4864 PWs) bands (ev): -16.3130 -16.3130 -16.3099 -16.3099 -8.9431 -8.9431 -8.8820 -8.8820 -8.1246 -8.1246 -8.1207 -8.1207 -7.9982 -7.9982 -7.9848 -7.9848 -2.9010 -2.9010 -2.8953 -2.8953 -1.1080 -1.1080 -1.0972 -1.0972 -0.7671 -0.7671 -0.7643 -0.7643 4.0361 4.0361 4.0990 4.0990 4.2437 4.2437 4.2540 4.2540 4.4820 4.4820 4.5164 4.5164 4.5378 4.5378 4.5656 4.5656 4.7250 4.7250 4.7808 4.7808 5.1319 5.1319 5.2347 5.2347 6.9598 6.9598 7.0306 7.0306 7.2398 7.2398 7.2834 7.2834 7.7832 7.7832 7.7975 7.7975 8.3282 8.3282 8.3551 8.3551 8.5377 8.5377 8.5600 8.5600 8.7956 8.7956 8.8358 8.8358 10.2621 10.2621 10.3024 10.3024 10.5756 10.5756 10.5808 10.5808 15.6580 15.6580 15.7171 15.7171 15.8715 15.8715 15.8862 15.8862 k = 0.5000 0.2887 0.5501 ( 4856 PWs) bands (ev): -16.3146 -16.3146 -16.3084 -16.3084 -8.9733 -8.9733 -8.8512 -8.8512 -8.1261 -8.1261 -8.1182 -8.1182 -8.0051 -8.0051 -7.9781 -7.9781 -2.9039 -2.9039 -2.8924 -2.8924 -1.1130 -1.1130 -1.0915 -1.0915 -0.7687 -0.7687 -0.7630 -0.7630 4.0019 4.0019 4.1252 4.1252 4.2404 4.2404 4.2590 4.2590 4.4535 4.4535 4.5121 4.5121 4.5353 4.5353 4.5909 4.5909 4.7060 4.7060 4.8147 4.8147 5.0869 5.0869 5.2897 5.2897 6.9220 6.9220 7.0632 7.0632 7.2122 7.2122 7.2994 7.2994 7.7785 7.7785 7.8071 7.8071 8.3135 8.3135 8.3676 8.3676 8.5271 8.5271 8.5714 8.5714 8.7739 8.7739 8.8543 8.8543 10.2427 10.2427 10.3226 10.3226 10.5748 10.5748 10.5855 10.5855 15.6308 15.6308 15.7487 15.7487 15.8655 15.8655 15.8942 15.8942 k = 0.5000 0.2887 0.5324 ( 4856 PWs) bands (ev): -16.3163 -16.3163 -16.3071 -16.3071 -9.0031 -9.0031 -8.8203 -8.8203 -8.1273 -8.1273 -8.1154 -8.1154 -8.0119 -8.0119 -7.9716 -7.9716 -2.9067 -2.9067 -2.8895 -2.8895 -1.1178 -1.1178 -1.0856 -1.0856 -0.7703 -0.7703 -0.7618 -0.7618 3.9668 3.9668 4.1453 4.1453 4.2398 4.2398 4.2621 4.2621 4.4269 4.4269 4.4999 4.4999 4.5338 4.5338 4.6138 4.6138 4.6952 4.6952 4.8512 4.8512 5.0488 5.0488 5.3460 5.3460 6.8830 6.8830 7.0935 7.0935 7.1810 7.1810 7.3118 7.3118 7.7754 7.7754 7.8183 7.8183 8.2977 8.2977 8.3796 8.3796 8.5171 8.5171 8.5828 8.5828 8.7513 8.7513 8.8716 8.8717 10.2243 10.2243 10.3422 10.3422 10.5749 10.5749 10.5917 10.5917 15.6051 15.6051 15.7807 15.7807 15.8615 15.8615 15.9025 15.9025 k = 0.5000 0.2887 0.5146 ( 4860 PWs) bands (ev): -16.3180 -16.3180 -16.3057 -16.3057 -9.0325 -9.0325 -8.7894 -8.7894 -8.1280 -8.1280 -8.1123 -8.1123 -8.0188 -8.0188 -7.9652 -7.9652 -2.9095 -2.9095 -2.8867 -2.8867 -1.1224 -1.1224 -1.0795 -1.0795 -0.7720 -0.7720 -0.7608 -0.7608 3.9313 3.9313 4.1572 4.1572 4.2405 4.2405 4.2632 4.2632 4.4061 4.4061 4.4827 4.4827 4.5321 4.5321 4.6295 4.6295 4.6938 4.6938 4.8897 4.8897 5.0206 5.0206 5.4028 5.4028 6.8429 6.8429 7.1204 7.1204 7.1472 7.1472 7.3207 7.3207 7.7738 7.7738 7.8308 7.8308 8.2805 8.2805 8.3911 8.3911 8.5078 8.5078 8.5940 8.5940 8.7279 8.7279 8.8879 8.8879 10.2074 10.2074 10.3610 10.3610 10.5759 10.5759 10.5996 10.5996 15.5807 15.5807 15.8098 15.8098 15.8628 15.8628 15.9116 15.9116 k = 0.5000 0.2887 0.4969 ( 4854 PWs) bands (ev): -16.3197 -16.3197 -16.3045 -16.3045 -9.0614 -9.0614 -8.7585 -8.7585 -8.1285 -8.1285 -8.1089 -8.1089 -8.0257 -8.0257 -7.9590 -7.9590 -2.9123 -2.9123 -2.8838 -2.8838 -1.1267 -1.1267 -1.0733 -1.0733 -0.7738 -0.7738 -0.7599 -0.7599 3.8957 3.8957 4.1606 4.1606 4.2349 4.2349 4.2662 4.2662 4.3939 4.3939 4.4621 4.4621 4.5301 4.5301 4.6377 4.6377 4.6992 4.6992 4.9294 4.9294 5.0053 5.0053 5.4597 5.4597 6.8022 6.8022 7.1057 7.1057 7.1492 7.1492 7.3264 7.3264 7.7735 7.7735 7.8445 7.8445 8.2618 8.2618 8.4022 8.4022 8.4994 8.4994 8.6046 8.6046 8.7041 8.7041 8.9031 8.9031 10.1925 10.1925 10.3787 10.3787 10.5774 10.5774 10.6091 10.6091 15.5573 15.5573 15.8269 15.8269 15.8762 15.8762 15.9234 15.9234 k = 0.5000 0.2887 0.4791 ( 4848 PWs) bands (ev): -16.3215 -16.3215 -16.3033 -16.3033 -9.0898 -9.0898 -8.7278 -8.7278 -8.1286 -8.1286 -8.1053 -8.1053 -8.0326 -8.0326 -7.9529 -7.9529 -2.9150 -2.9150 -2.8811 -2.8811 -1.1307 -1.1307 -1.0669 -1.0669 -0.7756 -0.7756 -0.7591 -0.7591 3.8602 3.8602 4.1573 4.1573 4.2181 4.2181 4.2729 4.2729 4.3899 4.3899 4.4402 4.4402 4.5279 4.5279 4.6422 4.6422 4.7060 4.7060 4.9693 4.9693 5.0055 5.0055 5.5162 5.5162 6.7610 6.7610 7.0645 7.0645 7.1718 7.1718 7.3293 7.3293 7.7742 7.7742 7.8594 7.8594 8.2412 8.2412 8.4127 8.4127 8.4922 8.4922 8.6140 8.6140 8.6806 8.6806 8.9173 8.9173 10.1797 10.1797 10.3949 10.3949 10.5793 10.5793 10.6204 10.6204 15.5350 15.5350 15.8317 15.8317 15.8963 15.8963 15.9440 15.9440 k = 0.5000 0.2887 0.4614 ( 4840 PWs) bands (ev): -16.3233 -16.3233 -16.3022 -16.3022 -9.1176 -9.1176 -8.6973 -8.6973 -8.1284 -8.1284 -8.1014 -8.1014 -8.0394 -8.0394 -7.9469 -7.9469 -2.9176 -2.9176 -2.8783 -2.8783 -1.1344 -1.1344 -1.0603 -1.0603 -0.7774 -0.7774 -0.7584 -0.7584 3.8250 3.8250 4.1484 4.1484 4.1942 4.1942 4.2788 4.2788 4.3889 4.3889 4.4207 4.4207 4.5257 4.5257 4.6462 4.6462 4.7122 4.7122 5.0041 5.0041 5.0254 5.0254 5.5721 5.5721 6.7197 6.7197 7.0197 7.0197 7.1923 7.1923 7.3297 7.3297 7.7757 7.7757 7.8752 7.8752 8.2187 8.2187 8.4223 8.4223 8.4864 8.4864 8.6188 8.6188 8.6607 8.6607 8.9304 8.9304 10.1695 10.1695 10.4096 10.4096 10.5813 10.5813 10.6333 10.6333 15.5134 15.5134 15.8331 15.8331 15.9092 15.9092 15.9785 15.9785 k = 0.5000 0.2887 0.4436 ( 4848 PWs) bands (ev): -16.3252 -16.3252 -16.3012 -16.3012 -9.1448 -9.1448 -8.6671 -8.6671 -8.1279 -8.1279 -8.0973 -8.0973 -8.0461 -8.0461 -7.9411 -7.9411 -2.9202 -2.9202 -2.8757 -2.8757 -1.1379 -1.1379 -1.0537 -1.0537 -0.7792 -0.7792 -0.7579 -0.7579 3.7904 3.7904 4.1336 4.1336 4.1679 4.1679 4.2812 4.2812 4.3779 4.3779 4.4146 4.4146 4.5235 4.5235 4.6515 4.6515 4.7191 4.7191 5.0324 5.0324 5.0636 5.0636 5.6271 5.6271 6.6784 6.6784 6.9720 6.9720 7.2103 7.2103 7.3279 7.3279 7.7777 7.7777 7.8917 7.8917 8.1940 8.1940 8.4305 8.4305 8.4825 8.4825 8.6097 8.6097 8.6538 8.6538 8.9426 8.9426 10.1620 10.1620 10.4225 10.4225 10.5832 10.5832 10.6478 10.6478 15.4924 15.4924 15.8349 15.8349 15.9161 15.9161 16.0217 16.0217 k = 0.5000 0.2887 0.4259 ( 4860 PWs) bands (ev): -16.3270 -16.3270 -16.3002 -16.3002 -9.1713 -9.1713 -8.6373 -8.6373 -8.1271 -8.1271 -8.0930 -8.0930 -8.0526 -8.0526 -7.9355 -7.9355 -2.9227 -2.9227 -2.8730 -2.8730 -1.1411 -1.1411 -1.0470 -1.0470 -0.7811 -0.7811 -0.7576 -0.7576 3.7563 3.7563 4.1116 4.1116 4.1418 4.1418 4.2797 4.2797 4.3568 4.3568 4.4214 4.4214 4.5214 4.5214 4.6593 4.6593 4.7286 4.7286 5.0640 5.0640 5.1067 5.1067 5.6808 5.6808 6.6375 6.6375 6.9217 6.9217 7.2258 7.2258 7.3244 7.3244 7.7801 7.7801 7.9089 7.9089 8.1672 8.1672 8.4366 8.4366 8.4812 8.4812 8.5878 8.5878 8.6590 8.6590 8.9538 8.9538 10.1575 10.1575 10.4335 10.4335 10.5850 10.5850 10.6638 10.6638 15.4719 15.4719 15.8380 15.8380 15.9200 15.9200 16.0692 16.0692 k = 0.5000 0.2887 0.4081 ( 4848 PWs) bands (ev): -16.3289 -16.3289 -16.2993 -16.2993 -9.1971 -9.1971 -8.6080 -8.6080 -8.1259 -8.1259 -8.0888 -8.0888 -8.0590 -8.0590 -7.9301 -7.9301 -2.9252 -2.9252 -2.8705 -2.8705 -1.1440 -1.1440 -1.0402 -1.0402 -0.7830 -0.7830 -0.7574 -0.7574 3.7231 3.7231 4.0837 4.0837 4.1158 4.1158 4.2754 4.2754 4.3338 4.3338 4.4325 4.4325 4.5193 4.5193 4.6701 4.6701 4.7416 4.7416 5.0999 5.0999 5.1513 5.1513 5.7331 5.7331 6.5972 6.5972 6.8690 6.8690 7.2388 7.2388 7.3195 7.3195 7.7826 7.7826 7.9266 7.9266 8.1382 8.1382 8.4400 8.4400 8.4829 8.4829 8.5621 8.5621 8.6673 8.6673 8.9643 8.9643 10.1562 10.1562 10.4426 10.4426 10.5864 10.5864 10.6813 10.6813 15.4517 15.4517 15.8431 15.8431 15.9219 15.9219 16.1181 16.1181 k = 0.5000 0.2887 0.3904 ( 4852 PWs) bands (ev): -16.3307 -16.3307 -16.2985 -16.2985 -9.2221 -9.2221 -8.5792 -8.5792 -8.1245 -8.1245 -8.0847 -8.0847 -8.0648 -8.0648 -7.9248 -7.9248 -2.9275 -2.9275 -2.8681 -2.8681 -1.1467 -1.1467 -1.0334 -1.0334 -0.7849 -0.7849 -0.7573 -0.7573 3.6907 3.6907 4.0526 4.0526 4.0872 4.0872 4.2692 4.2692 4.3119 4.3119 4.4455 4.4455 4.5174 4.5174 4.6832 4.6832 4.7582 4.7582 5.1387 5.1387 5.1966 5.1966 5.7838 5.7838 6.5578 6.5578 6.8143 6.8143 7.2494 7.2494 7.3134 7.3134 7.7849 7.7849 7.9446 7.9446 8.1071 8.1071 8.4408 8.4408 8.4866 8.4866 8.5361 8.5361 8.6763 8.6763 8.9738 8.9738 10.1579 10.1579 10.4497 10.4497 10.5874 10.5874 10.7001 10.7001 15.4316 15.4316 15.8503 15.8503 15.9224 15.9224 16.1621 16.1621 k = 0.5000 0.2887 0.3726 ( 4844 PWs) bands (ev): -16.3326 -16.3326 -16.2977 -16.2977 -9.2463 -9.2463 -8.5510 -8.5510 -8.1229 -8.1229 -8.0819 -8.0819 -8.0691 -8.0691 -7.9198 -7.9198 -2.9298 -2.9298 -2.8657 -2.8657 -1.1491 -1.1491 -1.0266 -1.0266 -0.7868 -0.7868 -0.7573 -0.7573 3.6593 3.6593 4.0200 4.0200 4.0552 4.0552 4.2607 4.2607 4.2934 4.2934 4.4594 4.4594 4.5160 4.5160 4.6980 4.6980 4.7783 4.7783 5.1795 5.1795 5.2422 5.2422 5.8325 5.8325 6.5196 6.5196 6.7578 6.7578 7.2577 7.2577 7.3064 7.3064 7.7871 7.7871 7.9628 7.9628 8.0741 8.0741 8.4400 8.4400 8.4873 8.4873 8.5146 8.5146 8.6852 8.6852 8.9827 8.9827 10.1626 10.1626 10.4548 10.4548 10.5877 10.5877 10.7200 10.7200 15.4117 15.4117 15.8599 15.8599 15.9215 15.9215 16.1821 16.1821 k = 0.5000 0.2887 0.3549 ( 4840 PWs) bands (ev): -16.3344 -16.3344 -16.2970 -16.2970 -9.2696 -9.2696 -8.5236 -8.5236 -8.1209 -8.1209 -8.0830 -8.0830 -8.0693 -8.0693 -7.9150 -7.9150 -2.9320 -2.9320 -2.8634 -2.8634 -1.1512 -1.1512 -1.0198 -1.0198 -0.7887 -0.7887 -0.7575 -0.7575 3.6289 3.6289 3.9863 3.9863 4.0208 4.0208 4.2474 4.2474 4.2819 4.2819 4.4732 4.4732 4.5159 4.5159 4.7139 4.7139 4.8012 4.8012 5.2214 5.2214 5.2881 5.2881 5.8791 5.8791 6.4828 6.4828 6.6997 6.6997 7.2639 7.2639 7.2987 7.2987 7.7888 7.7888 7.9806 7.9806 8.0397 8.0397 8.4381 8.4381 8.4711 8.4711 8.5110 8.5110 8.6937 8.6937 8.9908 8.9908 10.1702 10.1702 10.4579 10.4579 10.5874 10.5874 10.7410 10.7410 15.3918 15.3918 15.8717 15.8717 15.9196 15.9196 16.1787 16.1787 k = 0.5000 0.2887 0.3372 ( 4850 PWs) bands (ev): -16.3362 -16.3362 -16.2964 -16.2964 -9.2920 -9.2920 -8.4970 -8.4970 -8.1188 -8.1188 -8.0874 -8.0874 -8.0659 -8.0659 -7.9104 -7.9104 -2.9341 -2.9341 -2.8613 -2.8613 -1.1531 -1.1531 -1.0130 -1.0130 -0.7906 -0.7906 -0.7577 -0.7577 3.5996 3.5996 3.9512 3.9512 3.9854 3.9854 4.2298 4.2298 4.2772 4.2772 4.4848 4.4848 4.5186 4.5186 4.7306 4.7306 4.8261 4.8261 5.2638 5.2638 5.3339 5.3339 5.9232 5.9232 6.4477 6.4477 6.6404 6.6404 7.2679 7.2679 7.2906 7.2906 7.7901 7.7901 7.9918 7.9918 8.0102 8.0102 8.4334 8.4334 8.4482 8.4482 8.5172 8.5172 8.7018 8.7018 8.9983 8.9983 10.1805 10.1805 10.4590 10.4590 10.5865 10.5865 10.7628 10.7628 15.3718 15.3718 15.8849 15.8849 15.9175 15.9175 16.1702 16.1702 k = 0.5000 0.2887 0.3194 ( 4842 PWs) bands (ev): -16.3380 -16.3380 -16.2958 -16.2958 -9.3135 -9.3135 -8.4713 -8.4713 -8.1164 -8.1164 -8.0927 -8.0927 -8.0615 -8.0615 -7.9060 -7.9060 -2.9361 -2.9361 -2.8592 -2.8592 -1.1547 -1.1547 -1.0063 -1.0063 -0.7925 -0.7925 -0.7581 -0.7581 3.5715 3.5715 3.9141 3.9141 3.9513 3.9513 4.2109 4.2109 4.2763 4.2763 4.4916 4.4916 4.5268 4.5268 4.7482 4.7482 4.8525 4.8525 5.3065 5.3065 5.3795 5.3795 5.9647 5.9647 6.4148 6.4148 6.5801 6.5801 7.2698 7.2698 7.2827 7.2827 7.7908 7.7908 7.9619 7.9619 8.0204 8.0204 8.4140 8.4140 8.4386 8.4386 8.5251 8.5251 8.7094 8.7094 9.0051 9.0051 10.1932 10.1932 10.4585 10.4585 10.5848 10.5848 10.7853 10.7853 15.3517 15.3517 15.8961 15.8961 15.9185 15.9185 16.1619 16.1619 k = 0.5000 0.2887 0.3017 ( 4836 PWs) bands (ev): -16.3397 -16.3397 -16.2953 -16.2953 -9.3341 -9.3341 -8.4465 -8.4465 -8.1138 -8.1138 -8.0981 -8.0981 -8.0567 -8.0567 -7.9019 -7.9019 -2.9380 -2.9380 -2.8573 -2.8573 -1.1561 -1.1561 -0.9998 -0.9998 -0.7944 -0.7944 -0.7586 -0.7586 3.5446 3.5446 3.8750 3.8750 3.9193 3.9193 4.1922 4.1922 4.2776 4.2776 4.4937 4.4937 4.5400 4.5400 4.7666 4.7666 4.8796 4.8796 5.3489 5.3489 5.4248 5.4248 6.0029 6.0029 6.3844 6.3844 6.5191 6.5191 7.2680 7.2680 7.2766 7.2766 7.7907 7.7907 7.9234 7.9234 8.0378 8.0378 8.3876 8.3876 8.4363 8.4363 8.5334 8.5334 8.7164 8.7164 9.0114 9.0114 10.2081 10.2081 10.4562 10.4562 10.5825 10.5825 10.8083 10.8083 15.3317 15.3317 15.8978 15.8978 15.9299 15.9299 16.1558 16.1558 k = 0.5000 0.2887 0.2839 ( 4830 PWs) bands (ev): -16.3414 -16.3414 -16.2948 -16.2948 -9.3536 -9.3536 -8.4229 -8.4229 -8.1110 -8.1110 -8.1034 -8.1034 -8.0518 -8.0518 -7.8979 -7.8979 -2.9398 -2.9398 -2.8555 -2.8555 -1.1573 -1.1573 -0.9933 -0.9933 -0.7962 -0.7962 -0.7592 -0.7592 3.5190 3.5190 3.8346 3.8346 3.8897 3.8897 4.1742 4.1742 4.2804 4.2804 4.4936 4.4936 4.5557 4.5557 4.7859 4.7859 4.9069 4.9069 5.3909 5.3909 5.4696 5.4696 6.0374 6.0374 6.3573 6.3573 6.4577 6.4577 7.2613 7.2613 7.2741 7.2741 7.7897 7.7897 7.8838 7.8838 8.0554 8.0554 8.3609 8.3609 8.4348 8.4348 8.5417 8.5417 8.7230 8.7230 9.0172 9.0172 10.2246 10.2246 10.4523 10.4523 10.5795 10.5795 10.8315 10.8315 15.3116 15.3116 15.8933 15.8933 15.9477 15.9477 16.1531 16.1531 k = 0.5000 0.2887 0.2662 ( 4830 PWs) bands (ev): -16.3431 -16.3431 -16.2944 -16.2944 -9.3721 -9.3721 -8.4004 -8.4004 -8.1091 -8.1091 -8.1074 -8.1074 -8.0469 -8.0469 -7.8942 -7.8942 -2.9415 -2.9415 -2.8538 -2.8538 -1.1583 -1.1583 -0.9871 -0.9871 -0.7979 -0.7979 -0.7598 -0.7598 3.4947 3.4947 3.7940 3.7940 3.8620 3.8620 4.1571 4.1571 4.2843 4.2843 4.4927 4.4927 4.5722 4.5722 4.8061 4.8061 4.9340 4.9340 5.4321 5.4321 5.5136 5.5136 6.0671 6.0671 6.3344 6.3344 6.3962 6.3962 7.2528 7.2528 7.2722 7.2722 7.7875 7.7875 7.8441 7.8441 8.0726 8.0726 8.3348 8.3348 8.4338 8.4338 8.5497 8.5497 8.7289 8.7289 9.0224 9.0224 10.2426 10.2426 10.4471 10.4471 10.5760 10.5760 10.8547 10.8547 15.2915 15.2915 15.8869 15.8869 15.9663 15.9663 16.1553 16.1553 k = 0.5000 0.2887 0.2484 ( 4834 PWs) bands (ev): -16.3446 -16.3446 -16.2940 -16.2940 -9.3895 -9.3895 -8.3792 -8.3792 -8.1136 -8.1136 -8.1048 -8.1048 -8.0421 -8.0421 -7.8908 -7.8908 -2.9431 -2.9431 -2.8522 -2.8522 -1.1591 -1.1591 -0.9811 -0.9811 -0.7996 -0.7996 -0.7606 -0.7606 3.4718 3.4718 3.7540 3.7540 3.8362 3.8362 4.1410 4.1410 4.2889 4.2889 4.4915 4.4915 4.5888 4.5888 4.8273 4.8273 4.9605 4.9605 5.4722 5.4722 5.5567 5.5567 6.0907 6.0907 6.3169 6.3169 6.3349 6.3349 7.2441 7.2441 7.2699 7.2699 7.7817 7.7817 7.8068 7.8068 8.0893 8.0893 8.3098 8.3098 8.4330 8.4330 8.5575 8.5575 8.7344 8.7344 9.0272 9.0272 10.2615 10.2615 10.4407 10.4407 10.5720 10.5720 10.8778 10.8778 15.2717 15.2717 15.8797 15.8797 15.9831 15.9831 16.1642 16.1642 k = 0.5000 0.2887 0.2307 ( 4836 PWs) bands (ev): -16.3461 -16.3461 -16.2937 -16.2937 -9.4059 -9.4059 -8.3593 -8.3593 -8.1183 -8.1183 -8.1015 -8.1015 -8.0375 -8.0375 -7.8876 -7.8876 -2.9446 -2.9446 -2.8508 -2.8508 -1.1597 -1.1597 -0.9753 -0.9753 -0.8012 -0.8012 -0.7614 -0.7614 3.4502 3.4502 3.7152 3.7152 3.8121 3.8121 4.1261 4.1261 4.2941 4.2941 4.4902 4.4902 4.6053 4.6053 4.8495 4.8495 4.9861 4.9861 5.5111 5.5111 5.5986 5.5986 6.1069 6.1069 6.2738 6.2738 6.3067 6.3067 7.2354 7.2354 7.2672 7.2672 7.7566 7.7566 7.7880 7.7880 8.1054 8.1054 8.2859 8.2859 8.4325 8.4325 8.5648 8.5648 8.7394 8.7394 9.0315 9.0315 10.2809 10.2809 10.4334 10.4334 10.5676 10.5676 10.9005 10.9005 15.2521 15.2521 15.8721 15.8721 15.9962 15.9962 16.1814 16.1814 k = 0.5000 0.2887 0.2129 ( 4844 PWs) bands (ev): -16.3475 -16.3475 -16.2934 -16.2934 -9.4211 -9.4211 -8.3408 -8.3408 -8.1227 -8.1227 -8.0981 -8.0981 -8.0330 -8.0330 -7.8846 -7.8846 -2.9460 -2.9460 -2.8494 -2.8494 -1.1602 -1.1602 -0.9699 -0.9699 -0.8027 -0.8027 -0.7622 -0.7622 3.4302 3.4302 3.6781 3.6781 3.7897 3.7897 4.1123 4.1123 4.2998 4.2998 4.4888 4.4888 4.6214 4.6214 4.8727 4.8727 5.0106 5.0106 5.5485 5.5485 5.6390 5.6390 6.1145 6.1145 6.2138 6.2138 6.3044 6.3044 7.2269 7.2269 7.2642 7.2642 7.7185 7.7185 7.7817 7.7817 8.1207 8.1207 8.2635 8.2636 8.4321 8.4321 8.5718 8.5718 8.7439 8.7439 9.0355 9.0355 10.3005 10.3005 10.4254 10.4254 10.5629 10.5629 10.9226 10.9226 15.2329 15.2329 15.8644 15.8644 16.0048 16.0048 16.2069 16.2069 k = 0.5000 0.2887 0.1952 ( 4850 PWs) bands (ev): -16.3489 -16.3489 -16.2932 -16.2932 -9.4352 -9.4352 -8.3238 -8.3238 -8.1268 -8.1268 -8.0947 -8.0947 -8.0287 -8.0287 -7.8818 -7.8818 -2.9473 -2.9473 -2.8482 -2.8482 -1.1605 -1.1605 -0.9647 -0.9647 -0.8040 -0.8040 -0.7632 -0.7632 3.4116 3.4116 3.6430 3.6430 3.7689 3.7689 4.0995 4.0995 4.3056 4.3056 4.4875 4.4875 4.6368 4.6368 4.8967 4.8967 5.0337 5.0337 5.5842 5.5842 5.6778 5.6778 6.1142 6.1142 6.1549 6.1549 6.3094 6.3094 7.2188 7.2188 7.2611 7.2611 7.6797 7.6797 7.7761 7.7761 8.1351 8.1351 8.2429 8.2429 8.4318 8.4318 8.5782 8.5782 8.7480 8.7480 9.0390 9.0390 10.3198 10.3198 10.4171 10.4171 10.5581 10.5581 10.9440 10.9440 15.2143 15.2143 15.8569 15.8569 16.0095 16.0095 16.2389 16.2389 k = 0.5000 0.2887 0.1775 ( 4850 PWs) bands (ev): -16.3501 -16.3501 -16.2930 -16.2930 -9.4481 -9.4481 -8.3082 -8.3082 -8.1306 -8.1306 -8.0912 -8.0912 -8.0246 -8.0246 -7.8793 -7.8793 -2.9484 -2.9484 -2.8471 -2.8471 -1.1607 -1.1607 -0.9600 -0.9600 -0.8052 -0.8052 -0.7641 -0.7641 3.3945 3.3945 3.6102 3.6102 3.7498 3.7498 4.0880 4.0880 4.3115 4.3115 4.4864 4.4864 4.6515 4.6515 4.9214 4.9214 5.0553 5.0553 5.6178 5.6178 5.7146 5.7146 6.0965 6.0965 6.1094 6.1094 6.3196 6.3196 7.2110 7.2110 7.2583 7.2583 7.6416 7.6416 7.7701 7.7701 8.1486 8.1486 8.2241 8.2241 8.4318 8.4318 8.5842 8.5842 8.7517 8.7517 9.0422 9.0422 10.3382 10.3382 10.4088 10.4088 10.5533 10.5533 10.9643 10.9643 15.1964 15.1964 15.8496 15.8496 16.0114 16.0114 16.2696 16.2696 k = 0.5000 0.2887 0.1597 ( 4846 PWs) bands (ev): -16.3512 -16.3512 -16.2928 -16.2928 -9.4599 -9.4599 -8.2942 -8.2942 -8.1340 -8.1340 -8.0878 -8.0878 -8.0209 -8.0209 -7.8770 -7.8770 -2.9495 -2.9495 -2.8461 -2.8461 -1.1608 -1.1608 -0.9556 -0.9556 -0.8062 -0.8062 -0.7651 -0.7651 3.3789 3.3789 3.5799 3.5799 3.7324 3.7324 4.0776 4.0776 4.3173 4.3173 4.4853 4.4853 4.6651 4.6651 4.9469 4.9469 5.0753 5.0753 5.6493 5.6493 5.7492 5.7492 6.0416 6.0416 6.0999 6.0999 6.3324 6.3324 7.2038 7.2038 7.2559 7.2559 7.6049 7.6049 7.7635 7.7635 8.1610 8.1610 8.2072 8.2072 8.4318 8.4318 8.5896 8.5896 8.7552 8.7552 9.0451 9.0451 10.3548 10.3548 10.4014 10.4014 10.5486 10.5486 10.9834 10.9834 15.1795 15.1795 15.8429 15.8429 16.0117 16.0117 16.2752 16.2752 k = 0.5000 0.2887 0.1420 ( 4850 PWs) bands (ev): -16.3523 -16.3523 -16.2926 -16.2926 -9.4705 -9.4705 -8.2817 -8.2817 -8.1372 -8.1372 -8.0844 -8.0844 -8.0174 -8.0174 -7.8750 -7.8750 -2.9504 -2.9504 -2.8453 -2.8453 -1.1609 -1.1609 -0.9516 -0.9516 -0.8070 -0.8070 -0.7662 -0.7662 3.3648 3.3648 3.5524 3.5524 3.7167 3.7167 4.0683 4.0683 4.3229 4.3229 4.4843 4.4843 4.6777 4.6777 4.9725 4.9725 5.0936 5.0936 5.6782 5.6782 5.7810 5.7810 5.9886 5.9886 6.0898 6.0898 6.3461 6.3461 7.1971 7.1971 7.2540 7.2540 7.5700 7.5700 7.7565 7.7565 8.1720 8.1720 8.1927 8.1927 8.4319 8.4319 8.5945 8.5945 8.7582 8.7582 9.0476 9.0476 10.3671 10.3671 10.3973 10.3973 10.5441 10.5441 11.0011 11.0011 15.1636 15.1636 15.8367 15.8367 16.0110 16.0110 16.2611 16.2611 k = 0.5000 0.2887 0.1242 ( 4850 PWs) bands (ev): -16.3532 -16.3532 -16.2925 -16.2925 -9.4798 -9.4798 -8.2708 -8.2708 -8.1400 -8.1400 -8.0811 -8.0811 -8.0143 -8.0143 -7.8732 -7.8732 -2.9513 -2.9513 -2.8445 -2.8445 -1.1608 -1.1608 -0.9482 -0.9482 -0.8076 -0.8076 -0.7672 -0.7672 3.3524 3.3524 3.5278 3.5278 3.7028 3.7028 4.0602 4.0602 4.3282 4.3282 4.4835 4.4835 4.6892 4.6892 4.9982 4.9982 5.1099 5.1099 5.7043 5.7043 5.8099 5.8099 5.9388 5.9388 6.0796 6.0796 6.3593 6.3593 7.1911 7.1911 7.2530 7.2530 7.5371 7.5371 7.7493 7.7493 8.1767 8.1767 8.1852 8.1852 8.4321 8.4321 8.5988 8.5988 8.7610 8.7610 9.0498 9.0498 10.3700 10.3700 10.4015 10.4015 10.5400 10.5400 11.0173 11.0173 15.1491 15.1491 15.8313 15.8313 16.0098 16.0098 16.2438 16.2438 k = 0.5000 0.2887 0.1065 ( 4848 PWs) bands (ev): -16.3540 -16.3540 -16.2924 -16.2924 -9.4880 -9.4880 -8.2614 -8.2614 -8.1424 -8.1424 -8.0781 -8.0781 -8.0115 -8.0115 -7.8717 -7.8717 -2.9520 -2.9520 -2.8439 -2.8438 -1.1608 -1.1608 -0.9451 -0.9451 -0.8080 -0.8080 -0.7682 -0.7682 3.3416 3.3416 3.5062 3.5062 3.6907 3.6907 4.0531 4.0531 4.3331 4.3331 4.4828 4.4828 4.6993 4.6993 5.0233 5.0233 5.1243 5.1243 5.7273 5.7273 5.8344 5.8344 5.8938 5.8938 6.0701 6.0701 6.3715 6.3715 7.1857 7.1857 7.2528 7.2528 7.5068 7.5068 7.7421 7.7421 8.1675 8.1675 8.1925 8.1925 8.4323 8.4323 8.6025 8.6025 8.7635 8.7635 9.0516 9.0516 10.3659 10.3659 10.4117 10.4117 10.5363 10.5363 11.0316 11.0316 15.1361 15.1361 15.8266 15.8266 16.0085 16.0085 16.2268 16.2268 k = 0.5000 0.2887 0.0887 ( 4842 PWs) bands (ev): -16.3547 -16.3547 -16.2923 -16.2923 -9.4949 -9.4949 -8.2536 -8.2536 -8.1445 -8.1445 -8.0753 -8.0753 -8.0092 -8.0092 -7.8703 -7.8703 -2.9526 -2.9526 -2.8433 -2.8433 -1.1607 -1.1607 -0.9426 -0.9426 -0.8083 -0.8083 -0.7691 -0.7691 3.3324 3.3324 3.4878 3.4878 3.6804 3.6804 4.0472 4.0472 4.3374 4.3374 4.4822 4.4822 4.7080 4.7080 5.0473 5.0473 5.1367 5.1367 5.7466 5.7466 5.8403 5.8403 5.8688 5.8688 6.0617 6.0617 6.3822 6.3822 7.1811 7.1811 7.2536 7.2536 7.4795 7.4795 7.7354 7.7354 8.1587 8.1587 8.2000 8.2000 8.4325 8.4325 8.6056 8.6056 8.7657 8.7657 9.0532 9.0532 10.3602 10.3602 10.4224 10.4224 10.5332 10.5332 11.0441 11.0441 15.1248 15.1248 15.8228 15.8228 16.0072 16.0072 16.2113 16.2113 k = 0.5000 0.2887 0.0710 ( 4846 PWs) bands (ev): -16.3553 -16.3553 -16.2922 -16.2922 -9.5006 -9.5006 -8.2472 -8.2472 -8.1462 -8.1462 -8.0729 -8.0729 -8.0072 -8.0072 -7.8693 -7.8693 -2.9531 -2.9531 -2.8429 -2.8429 -1.1606 -1.1606 -0.9405 -0.9405 -0.8084 -0.8084 -0.7699 -0.7699 3.3248 3.3248 3.4726 3.4726 3.6719 3.6719 4.0423 4.0423 4.3410 4.3410 4.4817 4.4817 4.7152 4.7152 5.0692 5.0692 5.1469 5.1469 5.7607 5.7607 5.8117 5.8117 5.8817 5.8817 6.0546 6.0546 6.3911 6.3911 7.1772 7.1772 7.2551 7.2551 7.4555 7.4555 7.7293 7.7293 8.1515 8.1515 8.2063 8.2063 8.4327 8.4327 8.6081 8.6081 8.7675 8.7675 9.0545 9.0545 10.3547 10.3547 10.4318 10.4318 10.5306 10.5306 11.0544 11.0544 15.1153 15.1153 15.8197 15.8197 16.0061 16.0061 16.1978 16.1978 k = 0.5000 0.2887 0.0532 ( 4848 PWs) bands (ev): -16.3557 -16.3557 -16.2922 -16.2922 -9.5050 -9.5050 -8.2423 -8.2423 -8.1475 -8.1475 -8.0710 -8.0710 -8.0057 -8.0057 -7.8684 -7.8684 -2.9535 -2.9535 -2.8425 -2.8425 -1.1605 -1.1605 -0.9389 -0.9389 -0.8084 -0.8084 -0.7706 -0.7706 3.3189 3.3189 3.4607 3.4607 3.6653 3.6653 4.0385 4.0385 4.3440 4.3440 4.4813 4.4813 4.7209 4.7209 5.0880 5.0880 5.1550 5.1550 5.7617 5.7617 5.7938 5.7938 5.8959 5.8959 6.0490 6.0490 6.3981 6.3981 7.1742 7.1742 7.2573 7.2573 7.4356 7.4356 7.7242 7.7242 8.1460 8.1460 8.2112 8.2112 8.4328 8.4328 8.6101 8.6101 8.7690 8.7690 9.0554 9.0554 10.3501 10.3501 10.4393 10.4393 10.5287 10.5287 11.0626 11.0626 15.1078 15.1078 15.8173 15.8173 16.0051 16.0051 16.1868 16.1868 k = 0.5000 0.2887 0.0355 ( 4856 PWs) bands (ev): -16.3561 -16.3561 -16.2921 -16.2921 -9.5082 -9.5082 -8.2388 -8.2388 -8.1485 -8.1485 -8.0696 -8.0696 -8.0046 -8.0046 -7.8679 -7.8679 -2.9538 -2.9538 -2.8423 -2.8423 -1.1604 -1.1604 -0.9377 -0.9377 -0.8084 -0.8084 -0.7712 -0.7712 3.3146 3.3146 3.4522 3.4522 3.6605 3.6605 4.0358 4.0358 4.3461 4.3461 4.4810 4.4810 4.7250 4.7250 5.1026 5.1026 5.1609 5.1609 5.7467 5.7467 5.7952 5.7952 5.9065 5.9065 6.0450 6.0450 6.4031 6.4031 7.1719 7.1719 7.2596 7.2596 7.4204 7.4204 7.7203 7.7203 8.1422 8.1422 8.2148 8.2148 8.4329 8.4329 8.6115 8.6115 8.7700 8.7700 9.0561 9.0561 10.3467 10.3467 10.4447 10.4447 10.5274 10.5274 11.0685 11.0685 15.1023 15.1023 15.8157 15.8157 16.0044 16.0044 16.1788 16.1788 k = 0.5000 0.2887 0.0177 ( 4856 PWs) bands (ev): -16.3562 -16.3562 -16.2921 -16.2921 -9.5101 -9.5101 -8.2368 -8.2368 -8.1490 -8.1490 -8.0687 -8.0687 -8.0039 -8.0039 -7.8675 -7.8675 -2.9540 -2.9540 -2.8421 -2.8421 -1.1604 -1.1604 -0.9370 -0.9370 -0.8084 -0.8084 -0.7715 -0.7715 3.3121 3.3121 3.4470 3.4470 3.6577 3.6577 4.0342 4.0342 4.3474 4.3474 4.4809 4.4809 4.7274 4.7274 5.1120 5.1120 5.1644 5.1644 5.7338 5.7338 5.7993 5.7993 5.9130 5.9130 6.0425 6.0425 6.4061 6.4061 7.1706 7.1706 7.2613 7.2613 7.4107 7.4107 7.7179 7.7179 8.1399 8.1399 8.2169 8.2169 8.4330 8.4330 8.6123 8.6123 8.7707 8.7707 9.0565 9.0565 10.3446 10.3446 10.4479 10.4479 10.5266 10.5266 11.0721 11.0721 15.0990 15.0990 15.8148 15.8148 16.0040 16.0040 16.1738 16.1738 k = 0.5000 0.2887-0.0000 ( 4864 PWs) bands (ev): -16.3563 -16.3563 -16.2921 -16.2921 -9.5107 -9.5107 -8.2361 -8.2361 -8.1492 -8.1492 -8.0684 -8.0684 -8.0037 -8.0037 -7.8674 -7.8674 -2.9540 -2.9540 -2.8421 -2.8421 -1.1604 -1.1604 -0.9368 -0.9368 -0.8084 -0.8084 -0.7716 -0.7716 3.3112 3.3112 3.4453 3.4453 3.6567 3.6567 4.0336 4.0336 4.3477 4.3477 4.4808 4.4808 4.7283 4.7283 5.1152 5.1152 5.1656 5.1656 5.7292 5.7292 5.8008 5.8008 5.9151 5.9151 6.0417 6.0417 6.4072 6.4072 7.1702 7.1702 7.2620 7.2620 7.4074 7.4074 7.7171 7.7171 8.1391 8.1391 8.2176 8.2176 8.4331 8.4331 8.6126 8.6126 8.7709 8.7709 9.0567 9.0567 10.3438 10.3438 10.4490 10.4490 10.5264 10.5264 11.0733 11.0733 15.0979 15.0979 15.8145 15.8145 16.0038 16.0038 16.1721 16.1721 k = 0.3333 0.5774-0.0000 ( 4818 PWs) bands (ev): -16.3226 -16.3226 -16.3226 -16.3226 -9.5315 -9.5315 -8.1895 -8.1818 -8.1770 -8.1770 -8.1682 -8.1682 -7.9079 -7.9079 -7.9039 -7.9038 -2.9102 -2.8821 -2.8821 -2.8250 -1.0434 -1.0434 -1.0323 -0.9259 -0.8015 -0.8015 -0.7236 -0.7236 3.3731 3.3731 3.4155 3.4155 3.6948 3.6951 3.6951 3.7223 4.4427 4.4463 4.4969 4.4969 4.8075 4.8081 4.8721 4.8721 5.4447 5.4447 5.7826 5.8209 5.8209 5.8305 5.8869 5.8869 5.8972 5.8981 6.4182 6.4182 7.2474 7.2474 7.3979 7.4031 7.4031 7.4267 7.6161 7.6659 7.6755 7.6755 8.2286 8.2286 8.4273 8.4273 8.7438 8.7575 8.7716 8.7716 8.8321 8.8321 10.3972 10.4317 10.4508 10.4508 10.7241 10.7241 10.7354 10.7541 14.9490 14.9490 16.2448 16.3087 16.3087 16.3333 16.4305 16.4305 k = 0.3333 0.5774 0.0177 ( 4818 PWs) bands (ev): -16.3226 -16.3226 -16.3226 -16.3225 -9.5308 -9.5308 -8.1896 -8.1819 -8.1771 -8.1771 -8.1691 -8.1691 -7.9080 -7.9080 -7.9040 -7.9039 -2.9102 -2.8820 -2.8820 -2.8251 -1.0434 -1.0434 -1.0323 -0.9260 -0.8016 -0.8016 -0.7238 -0.7238 3.3751 3.3751 3.4163 3.4163 3.6957 3.6960 3.6960 3.7232 4.4425 4.4461 4.4967 4.4967 4.8063 4.8068 4.8707 4.8707 5.4433 5.4433 5.7780 5.8149 5.8149 5.8247 5.8929 5.8929 5.9018 5.9038 6.4167 6.4167 7.2478 7.2478 7.3978 7.4037 7.4037 7.4271 7.6185 7.6679 7.6773 7.6773 8.2275 8.2275 8.4276 8.4276 8.7438 8.7575 8.7716 8.7716 8.8320 8.8320 10.3961 10.4304 10.4495 10.4495 10.7246 10.7246 10.7359 10.7544 14.9504 14.9504 16.2433 16.3070 16.3070 16.3297 16.4317 16.4317 k = 0.3333 0.5774 0.0355 ( 4812 PWs) bands (ev): -16.3225 -16.3225 -16.3225 -16.3225 -9.5288 -9.5288 -8.1898 -8.1821 -8.1774 -8.1774 -8.1717 -8.1717 -7.9082 -7.9082 -7.9042 -7.9041 -2.9101 -2.8818 -2.8818 -2.8253 -1.0432 -1.0432 -1.0320 -0.9262 -0.8021 -0.8021 -0.7241 -0.7241 3.3811 3.3811 3.4188 3.4188 3.6983 3.6988 3.6988 3.7259 4.4419 4.4454 4.4962 4.4962 4.8027 4.8027 4.8666 4.8666 5.4389 5.4389 5.7658 5.8005 5.8005 5.8106 5.9073 5.9073 5.9140 5.9178 6.4120 6.4120 7.2491 7.2491 7.3976 7.4053 7.4053 7.4280 7.6258 7.6737 7.6829 7.6829 8.2241 8.2241 8.4285 8.4285 8.7437 8.7575 8.7717 8.7717 8.8319 8.8319 10.3931 10.4266 10.4458 10.4458 10.7259 10.7259 10.7374 10.7551 14.9549 14.9549 16.2389 16.3020 16.3020 16.3196 16.4354 16.4354 k = 0.3333 0.5774 0.0532 ( 4812 PWs) bands (ev): -16.3223 -16.3223 -16.3223 -16.3223 -9.5255 -9.5255 -8.1901 -8.1825 -8.1780 -8.1780 -8.1759 -8.1759 -7.9086 -7.9086 -7.9046 -7.9045 -2.9100 -2.8815 -2.8815 -2.8257 -1.0430 -1.0430 -1.0317 -0.9264 -0.8029 -0.8029 -0.7246 -0.7246 3.3909 3.3909 3.4231 3.4231 3.7026 3.7033 3.7033 3.7303 4.4410 4.4442 4.4953 4.4953 4.7961 4.7967 4.8599 4.8599 5.4317 5.4317 5.7485 5.7818 5.7818 5.7921 5.9261 5.9261 5.9313 5.9360 6.4043 6.4043 7.2514 7.2514 7.3974 7.4079 7.4079 7.4295 7.6377 7.6832 7.6920 7.6920 8.2187 8.2187 8.4299 8.4299 8.7436 8.7574 8.7718 8.7718 8.8317 8.8317 10.3882 10.4205 10.4399 10.4399 10.7278 10.7278 10.7397 10.7562 14.9622 14.9622 16.2318 16.2943 16.2943 16.3052 16.4415 16.4415 k = 0.3333 0.5774 0.0710 ( 4806 PWs) bands (ev): -16.3221 -16.3221 -16.3221 -16.3221 -9.5208 -9.5208 -8.1906 -8.1830 -8.1827 -8.1827 -8.1780 -8.1780 -7.9092 -7.9092 -7.9051 -7.9050 -2.9098 -2.8810 -2.8810 -2.8262 -1.0428 -1.0428 -1.0312 -0.9268 -0.8039 -0.8039 -0.7253 -0.7253 3.4043 3.4043 3.4294 3.4294 3.7087 3.7097 3.7097 3.7365 4.4396 4.4426 4.4941 4.4941 4.7871 4.7886 4.8508 4.8508 5.4216 5.4216 5.7279 5.7604 5.7604 5.7709 5.9475 5.9475 5.9521 5.9570 6.3935 6.3935 7.2544 7.2544 7.3975 7.4114 7.4114 7.4316 7.6537 7.6964 7.7047 7.7047 8.2113 8.2113 8.4316 8.4316 8.7435 8.7574 8.7718 8.7718 8.8314 8.8314 10.3818 10.4125 10.4321 10.4321 10.7300 10.7300 10.7423 10.7573 14.9723 14.9723 16.2226 16.2843 16.2843 16.2883 16.4498 16.4498 k = 0.3333 0.5774 0.0887 ( 4812 PWs) bands (ev): -16.3219 -16.3219 -16.3219 -16.3219 -9.5148 -9.5148 -8.1913 -8.1906 -8.1906 -8.1837 -8.1787 -8.1787 -7.9099 -7.9099 -7.9057 -7.9056 -2.9096 -2.8803 -2.8803 -2.8269 -1.0425 -1.0425 -1.0305 -0.9272 -0.8052 -0.8052 -0.7263 -0.7263 3.4205 3.4205 3.4383 3.4383 3.7163 3.7177 3.7177 3.7443 4.4378 4.4405 4.4924 4.4924 4.7758 4.7784 4.8394 4.8394 5.4088 5.4088 5.7047 5.7368 5.7368 5.7473 5.9713 5.9713 5.9754 5.9802 6.3797 6.3797 7.2584 7.2584 7.3977 7.4156 7.4156 7.4341 7.6734 7.7129 7.7207 7.7207 8.2021 8.2021 8.4336 8.4336 8.7433 8.7573 8.7718 8.7718 8.8311 8.8311 10.3740 10.4029 10.4228 10.4228 10.7322 10.7322 10.7451 10.7584 14.9852 14.9852 16.2116 16.2699 16.2726 16.2726 16.4603 16.4603 k = 0.3333 0.5774 0.1065 ( 4818 PWs) bands (ev): -16.3216 -16.3216 -16.3216 -16.3215 -9.5074 -9.5074 -8.2003 -8.2003 -8.1920 -8.1846 -8.1796 -8.1796 -7.9107 -7.9107 -7.9065 -7.9063 -2.9093 -2.8796 -2.8796 -2.8277 -1.0421 -1.0421 -1.0297 -0.9278 -0.8067 -0.8067 -0.7274 -0.7274 3.4367 3.4367 3.4525 3.4525 3.7257 3.7276 3.7276 3.7539 4.4355 4.4379 4.4903 4.4903 4.7625 4.7664 4.8262 4.8262 5.3933 5.3933 5.6795 5.7112 5.7112 5.7216 5.9972 5.9972 6.0010 6.0056 6.3631 6.3631 7.2631 7.2631 7.3984 7.4203 7.4203 7.4369 7.6963 7.7325 7.7398 7.7398 8.1911 8.1911 8.4359 8.4359 8.7430 8.7571 8.7715 8.7715 8.8306 8.8306 10.3652 10.3922 10.4125 10.4125 10.7339 10.7339 10.7475 10.7590 15.0006 15.0006 16.1995 16.2510 16.2597 16.2597 16.4728 16.4728 k = 0.3333 0.5774 0.1242 ( 4824 PWs) bands (ev): -16.3212 -16.3212 -16.3212 -16.3212 -9.4988 -9.4988 -8.2118 -8.2118 -8.1929 -8.1856 -8.1805 -8.1805 -7.9116 -7.9116 -7.9073 -7.9072 -2.9090 -2.8787 -2.8787 -2.8287 -1.0417 -1.0417 -1.0288 -0.9284 -0.8084 -0.8084 -0.7287 -0.7287 3.4502 3.4502 3.4746 3.4746 3.7367 3.7392 3.7392 3.7652 4.4329 4.4349 4.4876 4.4876 4.7475 4.7528 4.8114 4.8114 5.3752 5.3752 5.6524 5.6835 5.6835 5.6939 6.0253 6.0253 6.0286 6.0331 6.3437 6.3437 7.2687 7.2687 7.3994 7.4254 7.4254 7.4400 7.7219 7.7548 7.7618 7.7618 8.1787 8.1787 8.4382 8.4382 8.7427 8.7569 8.7709 8.7709 8.8300 8.8300 10.3558 10.3808 10.4015 10.4015 10.7349 10.7349 10.7493 10.7590 15.0185 15.0185 16.1865 16.2319 16.2462 16.2462 16.4872 16.4872 k = 0.3333 0.5774 0.1420 ( 4827 PWs) bands (ev): -16.3208 -16.3208 -16.3208 -16.3208 -9.4889 -9.4889 -8.2248 -8.2248 -8.1940 -8.1867 -8.1816 -8.1816 -7.9127 -7.9127 -7.9083 -7.9081 -2.9086 -2.8777 -2.8777 -2.8298 -1.0413 -1.0413 -1.0277 -0.9291 -0.8102 -0.8102 -0.7301 -0.7301 3.4633 3.4633 3.5024 3.5024 3.7492 3.7525 3.7525 3.7780 4.4299 4.4314 4.4845 4.4845 4.7312 4.7380 4.7954 4.7954 5.3547 5.3547 5.6236 5.6539 5.6539 5.6642 6.0554 6.0554 6.0582 6.0628 6.3216 6.3216 7.2751 7.2751 7.4009 7.4306 7.4306 7.4432 7.7498 7.7796 7.7863 7.7863 8.1648 8.1648 8.4404 8.4404 8.7423 8.7566 8.7701 8.7701 8.8292 8.8292 10.3462 10.3692 10.3903 10.3903 10.7349 10.7349 10.7501 10.7580 15.0385 15.0385 16.1732 16.2132 16.2324 16.2324 16.5033 16.5033 k = 0.3333 0.5774 0.1597 ( 4845 PWs) bands (ev): -16.3204 -16.3204 -16.3204 -16.3204 -9.4776 -9.4776 -8.2395 -8.2395 -8.1951 -8.1880 -8.1828 -8.1828 -7.9138 -7.9138 -7.9093 -7.9091 -2.9082 -2.8766 -2.8766 -2.8310 -1.0410 -1.0410 -1.0265 -0.9300 -0.8121 -0.8121 -0.7318 -0.7318 3.4772 3.4772 3.5342 3.5342 3.7633 3.7674 3.7674 3.7924 4.4263 4.4273 4.4806 4.4806 4.7137 4.7221 4.7785 4.7785 5.3319 5.3319 5.5932 5.6223 5.6223 5.6327 6.0876 6.0876 6.0897 6.0945 6.2969 6.2969 7.2822 7.2822 7.4025 7.4356 7.4356 7.4464 7.7796 7.8064 7.8131 7.8131 8.1497 8.1497 8.4426 8.4426 8.7419 8.7563 8.7687 8.7687 8.8284 8.8284 10.3365 10.3576 10.3792 10.3792 10.7335 10.7335 10.7497 10.7559 15.0606 15.0606 16.1597 16.1949 16.2186 16.2186 16.5208 16.5208 k = 0.3333 0.5774 0.1775 ( 4851 PWs) bands (ev): -16.3199 -16.3199 -16.3199 -16.3199 -9.4652 -9.4652 -8.2557 -8.2557 -8.1964 -8.1894 -8.1841 -8.1841 -7.9150 -7.9150 -7.9104 -7.9102 -2.9077 -2.8754 -2.8754 -2.8324 -1.0407 -1.0407 -1.0252 -0.9309 -0.8140 -0.8140 -0.7336 -0.7336 3.4924 3.4924 3.5694 3.5694 3.7789 3.7841 3.7841 3.8084 4.4223 4.4228 4.4761 4.4761 4.6955 4.7056 4.7612 4.7612 5.3069 5.3069 5.5612 5.5891 5.5891 5.5994 6.1217 6.1217 6.1231 6.1282 6.2699 6.2699 7.2901 7.2901 7.4044 7.4405 7.4405 7.4494 7.8108 7.8349 7.8418 7.8418 8.1335 8.1335 8.4447 8.4447 8.7414 8.7559 8.7668 8.7668 8.8274 8.8274 10.3271 10.3464 10.3685 10.3685 10.7306 10.7306 10.7479 10.7524 15.0845 15.0845 16.1464 16.1774 16.2050 16.2050 16.5392 16.5392 k = 0.3333 0.5774 0.1952 ( 4851 PWs) bands (ev): -16.3194 -16.3194 -16.3194 -16.3194 -9.4514 -9.4514 -8.2735 -8.2735 -8.1978 -8.1910 -8.1856 -8.1856 -7.9163 -7.9163 -7.9115 -7.9113 -2.9072 -2.8741 -2.8741 -2.8339 -1.0405 -1.0405 -1.0237 -0.9318 -0.8159 -0.8159 -0.7355 -0.7355 3.5090 3.5090 3.6076 3.6076 3.7959 3.8023 3.8023 3.8258 4.4177 4.4177 4.4708 4.4708 4.6769 4.6887 4.7440 4.7440 5.2799 5.2799 5.5278 5.5542 5.5542 5.5645 6.1571 6.1571 6.1583 6.1639 6.2411 6.2411 7.2987 7.2987 7.4062 7.4449 7.4449 7.4522 7.8431 7.8648 7.8720 7.8720 8.1163 8.1163 8.4468 8.4468 8.7408 8.7553 8.7642 8.7642 8.8262 8.8262 10.3184 10.3359 10.3584 10.3584 10.7262 10.7262 10.7445 10.7475 15.1099 15.1099 16.1335 16.1607 16.1919 16.1919 16.5575 16.5575 k = 0.3333 0.5774 0.2129 ( 4845 PWs) bands (ev): -16.3189 -16.3188 -16.3188 -16.3188 -9.4365 -9.4365 -8.2926 -8.2926 -8.1993 -8.1927 -8.1872 -8.1872 -7.9176 -7.9176 -7.9127 -7.9124 -2.9067 -2.8727 -2.8727 -2.8355 -1.0404 -1.0404 -1.0220 -0.9329 -0.8177 -0.8177 -0.7375 -0.7375 3.5271 3.5271 3.6485 3.6485 3.8143 3.8222 3.8222 3.8446 4.4121 4.4126 4.4646 4.4646 4.6583 4.6718 4.7270 4.7270 5.2512 5.2512 5.4931 5.5178 5.5178 5.5282 6.1883 6.1883 6.1952 6.2014 6.2161 6.2161 7.3081 7.3081 7.4079 7.4488 7.4488 7.4544 7.8761 7.8957 7.9033 7.9033 8.0982 8.0982 8.4488 8.4488 8.7401 8.7547 8.7610 8.7610 8.8248 8.8248 10.3105 10.3264 10.3493 10.3493 10.7200 10.7200 10.7394 10.7411 15.1367 15.1367 16.1210 16.1449 16.1792 16.1792 16.5739 16.5739 k = 0.3333 0.5774 0.2307 ( 4848 PWs) bands (ev): -16.3183 -16.3183 -16.3183 -16.3182 -9.4203 -9.4203 -8.3132 -8.3132 -8.2009 -8.1945 -8.1888 -8.1888 -7.9189 -7.9189 -7.9139 -7.9136 -2.9061 -2.8713 -2.8713 -2.8373 -1.0403 -1.0403 -1.0203 -0.9340 -0.8194 -0.8194 -0.7397 -0.7397 3.5466 3.5466 3.6919 3.6919 3.8339 3.8436 3.8436 3.8647 4.4058 4.4069 4.4573 4.4573 4.6398 4.6551 4.7108 4.7108 5.2210 5.2210 5.4572 5.4801 5.4801 5.4905 6.1703 6.1703 6.2337 6.2396 6.2396 6.2405 7.3181 7.3181 7.4092 7.4518 7.4518 7.4559 7.9094 7.9272 7.9354 7.9354 8.0794 8.0794 8.4507 8.4507 8.7393 8.7538 8.7569 8.7569 8.8232 8.8232 10.3035 10.3179 10.3412 10.3412 10.7120 10.7120 10.7327 10.7330 15.1645 15.1645 16.1091 16.1300 16.1672 16.1672 16.5847 16.5847 k = 0.3333 0.5774 0.2484 ( 4866 PWs) bands (ev): -16.3177 -16.3177 -16.3177 -16.3177 -9.4030 -9.4030 -8.3351 -8.3351 -8.2026 -8.1964 -8.1906 -8.1906 -7.9203 -7.9203 -7.9150 -7.9147 -2.9054 -2.8698 -2.8698 -2.8391 -1.0405 -1.0405 -1.0184 -0.9352 -0.8209 -0.8209 -0.7420 -0.7420 3.5674 3.5674 3.7372 3.7372 3.8548 3.8667 3.8667 3.8860 4.3988 4.4005 4.4489 4.4489 4.6220 4.6391 4.6956 4.6956 5.1894 5.1894 5.4201 5.4411 5.4411 5.4517 6.1353 6.1353 6.2737 6.2796 6.2796 6.2811 7.3288 7.3288 7.4100 7.4540 7.4540 7.4566 7.9427 7.9589 7.9677 7.9677 8.0601 8.0601 8.4526 8.4526 8.7383 8.7520 8.7520 8.7528 8.8214 8.8214 10.2977 10.3108 10.3344 10.3344 10.7024 10.7024 10.7234 10.7241 15.1932 15.1932 16.0979 16.1161 16.1559 16.1559 16.5832 16.5832 k = 0.3333 0.5774 0.2662 ( 4866 PWs) bands (ev): -16.3171 -16.3171 -16.3171 -16.3171 -9.3846 -9.3846 -8.3582 -8.3582 -8.2043 -8.1983 -8.1924 -8.1924 -7.9216 -7.9216 -7.9162 -7.9159 -2.9047 -2.8683 -2.8683 -2.8411 -1.0407 -1.0407 -1.0164 -0.9365 -0.8221 -0.8221 -0.7443 -0.7443 3.5897 3.5897 3.7841 3.7841 3.8767 3.8915 3.8915 3.9085 4.3913 4.3934 4.4395 4.4395 4.6050 4.6240 4.6818 4.6818 5.1568 5.1568 5.3821 5.4012 5.4012 5.4119 6.0975 6.0975 6.3151 6.3219 6.3219 6.3232 7.3401 7.3401 7.4101 7.4550 7.4550 7.4563 7.9758 7.9907 7.9990 7.9990 8.0415 8.0415 8.4544 8.4544 8.7373 8.7462 8.7462 8.7517 8.8194 8.8194 10.2932 10.3050 10.3288 10.3288 10.6910 10.6910 10.7122 10.7139 15.2225 15.2225 16.0873 16.1032 16.1452 16.1452 16.5623 16.5623 k = 0.3333 0.5774 0.2839 ( 4860 PWs) bands (ev): -16.3165 -16.3165 -16.3165 -16.3165 -9.3650 -9.3650 -8.3825 -8.3825 -8.2061 -8.2004 -8.1943 -8.1943 -7.9229 -7.9229 -7.9173 -7.9170 -2.9040 -2.8668 -2.8668 -2.8431 -1.0412 -1.0412 -1.0143 -0.9378 -0.8232 -0.8232 -0.7467 -0.7467 3.6134 3.6134 3.8317 3.8317 3.8996 3.9184 3.9184 3.9319 4.3832 4.3858 4.4291 4.4291 4.5893 4.6101 4.6696 4.6696 5.1234 5.1234 5.3432 5.3603 5.3603 5.3713 6.0575 6.0575 6.3577 6.3656 6.3656 6.3664 7.3521 7.3521 7.4093 7.4548 7.4548 7.4549 8.0083 8.0123 8.0123 8.0222 8.0403 8.0403 8.4563 8.4563 8.7362 8.7396 8.7396 8.7503 8.8171 8.8171 10.2900 10.3008 10.3247 10.3247 10.6781 10.6781 10.6995 10.7021 15.2523 15.2523 16.0774 16.0911 16.1351 16.1351 16.5226 16.5226 k = 0.3333 0.5774 0.3017 ( 4872 PWs) bands (ev): -16.3159 -16.3159 -16.3159 -16.3158 -9.3443 -9.3443 -8.4079 -8.4079 -8.2079 -8.2025 -8.1963 -8.1963 -7.9241 -7.9241 -7.9184 -7.9181 -2.9032 -2.8653 -2.8653 -2.8452 -1.0418 -1.0418 -1.0121 -0.9392 -0.8239 -0.8239 -0.7492 -0.7492 3.6385 3.6385 3.8788 3.8788 3.9233 3.9478 3.9478 3.9560 4.3746 4.3776 4.4178 4.4178 4.5748 4.5975 4.6589 4.6589 5.0897 5.0897 5.3035 5.3186 5.3186 5.3300 6.0155 6.0155 6.4013 6.4104 6.4104 6.4106 7.3647 7.3647 7.4074 7.4522 7.4533 7.4533 7.9946 7.9946 8.0401 8.0531 8.0692 8.0692 8.4581 8.4581 8.7320 8.7320 8.7349 8.7488 8.8145 8.8145 10.2883 10.2981 10.3219 10.3219 10.6638 10.6638 10.6854 10.6887 15.2822 15.2822 16.0681 16.0800 16.1256 16.1256 16.4711 16.4711 k = 0.3333 0.5774 0.3194 ( 4860 PWs) bands (ev): -16.3153 -16.3153 -16.3153 -16.3152 -9.3226 -9.3226 -8.4343 -8.4343 -8.2098 -8.2046 -8.1983 -8.1983 -7.9253 -7.9253 -7.9195 -7.9192 -2.9023 -2.8638 -2.8638 -2.8474 -1.0425 -1.0425 -1.0098 -0.9407 -0.8243 -0.8243 -0.7517 -0.7517 3.6648 3.6648 3.9237 3.9237 3.9476 3.9808 3.9811 3.9811 4.3657 4.3692 4.4060 4.4060 4.5618 4.5864 4.6499 4.6499 5.0561 5.0561 5.2632 5.2763 5.2763 5.2881 5.9718 5.9718 6.4458 6.4557 6.4561 6.4561 7.3779 7.3779 7.4044 7.4481 7.4503 7.4503 7.9735 7.9735 8.0709 8.0832 8.1005 8.1005 8.4602 8.4602 8.7236 8.7236 8.7335 8.7470 8.8117 8.8117 10.2879 10.2969 10.3205 10.3205 10.6482 10.6482 10.6702 10.6740 15.3121 15.3121 16.0595 16.0697 16.1166 16.1166 16.4145 16.4145 k = 0.3333 0.5774 0.3372 ( 4860 PWs) bands (ev): -16.3147 -16.3147 -16.3147 -16.3146 -9.2998 -9.2998 -8.4617 -8.4617 -8.2116 -8.2067 -8.2002 -8.2002 -7.9265 -7.9265 -7.9205 -7.9201 -2.9014 -2.8622 -2.8622 -2.8496 -1.0434 -1.0434 -1.0074 -0.9422 -0.8245 -0.8245 -0.7543 -0.7543 3.6924 3.6924 3.9641 3.9641 3.9722 4.0059 4.0196 4.0196 4.3569 4.3608 4.3941 4.3941 4.5503 4.5769 4.6424 4.6424 5.0231 5.0231 5.2223 5.2335 5.2335 5.2459 5.9264 5.9264 6.4909 6.5015 6.5024 6.5024 7.3915 7.3915 7.4000 7.4425 7.4459 7.4459 7.9518 7.9518 8.1005 8.1122 8.1314 8.1314 8.4624 8.4624 8.7144 8.7144 8.7319 8.7451 8.8087 8.8087 10.2890 10.2972 10.3205 10.3205 10.6316 10.6316 10.6540 10.6581 15.3419 15.3419 16.0514 16.0601 16.1080 16.1080 16.3566 16.3566 k = 0.3333 0.5774 0.3549 ( 4824 PWs) bands (ev): -16.3141 -16.3141 -16.3141 -16.3140 -9.2761 -9.2761 -8.4899 -8.4899 -8.2135 -8.2089 -8.2022 -8.2022 -7.9276 -7.9276 -7.9214 -7.9211 -2.9004 -2.8608 -2.8608 -2.8519 -1.0444 -1.0444 -1.0050 -0.9438 -0.8243 -0.8243 -0.7569 -0.7569 3.7213 3.7213 3.9970 3.9997 3.9997 4.0309 4.0626 4.0626 4.3486 4.3531 4.3827 4.3827 4.5403 4.5690 4.6363 4.6363 4.9915 4.9915 5.1811 5.1905 5.1905 5.2034 5.8793 5.8793 6.5365 6.5477 6.5491 6.5491 7.3942 7.4053 7.4053 7.4352 7.4401 7.4401 7.9297 7.9297 8.1289 8.1401 8.1613 8.1613 8.4651 8.4651 8.7044 8.7044 8.7303 8.7430 8.8054 8.8054 10.2914 10.2990 10.3217 10.3217 10.6142 10.6142 10.6370 10.6414 15.3715 15.3715 16.0439 16.0513 16.0996 16.0996 16.2997 16.2997 k = 0.3333 0.5774 0.3726 ( 4827 PWs) bands (ev): -16.3135 -16.3135 -16.3135 -16.3135 -9.2514 -9.2514 -8.5189 -8.5189 -8.2153 -8.2110 -8.2041 -8.2041 -7.9286 -7.9286 -7.9222 -7.9219 -2.8994 -2.8593 -2.8593 -2.8542 -1.0455 -1.0455 -1.0024 -0.9455 -0.8238 -0.8238 -0.7595 -0.7595 3.7512 3.7512 4.0214 4.0319 4.0319 4.0552 4.1072 4.1072 4.3410 4.3464 4.3722 4.3722 4.5317 4.5627 4.6314 4.6314 4.9620 4.9620 5.1395 5.1471 5.1471 5.1607 5.8307 5.8307 6.5823 6.5941 6.5961 6.5961 7.3867 7.4177 7.4177 7.4262 7.4345 7.4345 7.9073 7.9073 8.1558 8.1665 8.1900 8.1900 8.4679 8.4679 8.6937 8.6937 8.7286 8.7406 8.8019 8.8019 10.2949 10.3021 10.3240 10.3240 10.5963 10.5963 10.6193 10.6238 15.4008 15.4008 16.0368 16.0431 16.0911 16.0911 16.2450 16.2450 k = 0.3333 0.5774 0.3904 ( 4827 PWs) bands (ev): -16.3130 -16.3130 -16.3129 -16.3129 -9.2258 -9.2258 -8.5487 -8.5487 -8.2170 -8.2130 -8.2060 -8.2060 -7.9295 -7.9295 -7.9230 -7.9227 -2.8983 -2.8580 -2.8580 -2.8566 -1.0467 -1.0467 -0.9998 -0.9472 -0.8231 -0.8231 -0.7622 -0.7622 3.7823 3.7823 4.0449 4.0622 4.0622 4.0783 4.1502 4.1502 4.3350 4.3418 4.3634 4.3634 4.5244 4.5579 4.6277 4.6277 4.9358 4.9358 5.0978 5.1037 5.1037 5.1180 5.7806 5.7806 6.6282 6.6405 6.6430 6.6430 7.3775 7.4154 7.4176 7.4176 7.4401 7.4401 7.8848 7.8848 8.1811 8.1914 8.2174 8.2174 8.4711 8.4711 8.6824 8.6824 8.7267 8.7381 8.7981 8.7981 10.2996 10.3064 10.3273 10.3273 10.5780 10.5780 10.6012 10.6056 15.4296 15.4296 16.0303 16.0355 16.0818 16.0818 16.1939 16.1939 k = 0.3333 0.5774 0.4081 ( 4827 PWs) bands (ev): -16.3124 -16.3124 -16.3124 -16.3124 -9.1994 -9.1994 -8.5790 -8.5790 -8.2187 -8.2150 -8.2078 -8.2078 -7.9304 -7.9304 -7.9237 -7.9235 -2.8971 -2.8590 -2.8567 -2.8567 -1.0479 -1.0479 -0.9972 -0.9490 -0.8221 -0.8221 -0.7648 -0.7648 3.8143 3.8143 4.0669 4.0906 4.0906 4.0992 4.1890 4.1890 4.3310 4.3400 4.3576 4.3576 4.5183 4.5546 4.6250 4.6250 4.9144 4.9144 5.0560 5.0603 5.0603 5.0755 5.7291 5.7291 6.6738 6.6866 6.6897 6.6897 7.3666 7.4027 7.4072 7.4072 7.4547 7.4547 7.8622 7.8622 8.2047 8.2145 8.2431 8.2431 8.4747 8.4747 8.6706 8.6706 8.7248 8.7355 8.7942 8.7942 10.3053 10.3117 10.3313 10.3313 10.5599 10.5599 10.5831 10.5873 15.4580 15.4580 16.0242 16.0286 16.0699 16.0699 16.1484 16.1484 k = 0.3333 0.5774 0.4259 ( 4836 PWs) bands (ev): -16.3120 -16.3120 -16.3119 -16.3119 -9.1722 -9.1722 -8.6099 -8.6099 -8.2202 -8.2169 -8.2095 -8.2095 -7.9312 -7.9312 -7.9244 -7.9241 -2.8959 -2.8613 -2.8555 -2.8555 -1.0492 -1.0492 -0.9945 -0.9508 -0.8208 -0.8208 -0.7674 -0.7674 3.8473 3.8473 4.0867 4.1169 4.1169 4.1169 4.2208 4.2208 4.3300 4.3421 4.3559 4.3559 4.5135 4.5528 4.6232 4.6232 4.8995 4.8995 5.0144 5.0172 5.0172 5.0334 5.6763 5.6763 6.7190 6.7323 6.7358 6.7358 7.3539 7.3881 7.3939 7.3939 7.4708 7.4708 7.8396 7.8396 8.2265 8.2359 8.2671 8.2671 8.4789 8.4789 8.6584 8.6584 8.7229 8.7327 8.7902 8.7902 10.3118 10.3179 10.3360 10.3360 10.5420 10.5420 10.5651 10.5689 15.4860 15.4860 16.0186 16.0222 16.0507 16.0507 16.1132 16.1132 k = 0.3333 0.5774 0.4436 ( 4842 PWs) bands (ev): -16.3115 -16.3115 -16.3115 -16.3115 -9.1442 -9.1442 -8.6413 -8.6413 -8.2216 -8.2187 -8.2111 -8.2111 -7.9319 -7.9319 -7.9249 -7.9247 -2.8946 -2.8637 -2.8544 -2.8544 -1.0504 -1.0504 -0.9918 -0.9528 -0.8194 -0.8194 -0.7700 -0.7700 3.8810 3.8810 4.1037 4.1308 4.1401 4.1401 4.2438 4.2438 4.3323 4.3488 4.3593 4.3593 4.5098 4.5525 4.6223 4.6223 4.8930 4.8930 4.9730 4.9745 4.9745 4.9917 5.6222 5.6222 6.7634 6.7772 6.7811 6.7811 7.3394 7.3717 7.3785 7.3785 7.4876 7.4876 7.8171 7.8171 8.2465 8.2552 8.2891 8.2891 8.4836 8.4836 8.6460 8.6460 8.7210 8.7300 8.7861 8.7861 10.3189 10.3248 10.3411 10.3411 10.5248 10.5248 10.5474 10.5507 15.5136 15.5136 16.0135 16.0165 16.0201 16.0201 16.0925 16.0925 k = 0.3333 0.5774 0.4614 ( 4824 PWs) bands (ev): -16.3111 -16.3111 -16.3111 -16.3111 -9.1155 -9.1155 -8.6730 -8.6730 -8.2229 -8.2203 -8.2126 -8.2126 -7.9325 -7.9325 -7.9254 -7.9252 -2.8932 -2.8660 -2.8534 -2.8534 -1.0516 -1.0516 -0.9891 -0.9548 -0.8178 -0.8178 -0.7726 -0.7726 3.9155 3.9155 4.1172 4.1405 4.1592 4.1592 4.2579 4.2579 4.3385 4.3600 4.3669 4.3669 4.5076 4.5539 4.6222 4.6222 4.8965 4.8965 4.9323 4.9327 4.9327 4.9509 5.5671 5.5671 6.8068 6.8209 6.8252 6.8252 7.3232 7.3536 7.3613 7.3613 7.5050 7.5050 7.7947 7.7947 8.2645 8.2726 8.3091 8.3091 8.4891 8.4891 8.6335 8.6335 8.7192 8.7273 8.7822 8.7822 10.3267 10.3323 10.3464 10.3464 10.5086 10.5086 10.5305 10.5332 15.5409 15.5409 15.9831 15.9831 16.0089 16.0113 16.0813 16.0813 k = 0.3333 0.5774 0.4791 ( 4839 PWs) bands (ev): -16.3108 -16.3108 -16.3107 -16.3107 -9.0862 -9.0862 -8.7051 -8.7051 -8.2241 -8.2218 -8.2139 -8.2139 -7.9330 -7.9330 -7.9259 -7.9257 -2.8918 -2.8684 -2.8525 -2.8525 -1.0527 -1.0527 -0.9864 -0.9568 -0.8161 -0.8161 -0.7750 -0.7750 3.9505 3.9505 4.1272 4.1463 4.1731 4.1731 4.2645 4.2645 4.3482 4.3747 4.3771 4.3771 4.5073 4.5570 4.6231 4.6231 4.8903 4.8903 4.8924 4.9111 4.9124 4.9124 5.5110 5.5110 6.8488 6.8631 6.8677 6.8677 7.3056 7.3338 7.3426 7.3426 7.5229 7.5229 7.7725 7.7725 8.2805 8.2877 8.3268 8.3268 8.4951 8.4951 8.6209 8.6209 8.7175 8.7245 8.7783 8.7783 10.3347 10.3400 10.3517 10.3517 10.4935 10.4935 10.5143 10.5163 15.5680 15.5680 15.9450 15.9450 16.0048 16.0067 16.0741 16.0741 k = 0.3333 0.5774 0.4969 ( 4845 PWs) bands (ev): -16.3105 -16.3104 -16.3104 -16.3104 -9.0563 -9.0563 -8.7373 -8.7373 -8.2250 -8.2231 -8.2150 -8.2150 -7.9335 -7.9335 -7.9262 -7.9261 -2.8902 -2.8707 -2.8517 -2.8517 -1.0537 -1.0537 -0.9837 -0.9590 -0.8144 -0.8144 -0.7773 -0.7773 3.9858 3.9858 4.1340 4.1490 4.1819 4.1819 4.2641 4.2641 4.3605 4.3891 4.3891 4.3909 4.5097 4.5619 4.6252 4.6252 4.8511 4.8511 4.8538 4.8728 4.9372 4.9372 5.4542 5.4542 6.8888 6.9032 6.9081 6.9081 7.2868 7.3127 7.3226 7.3226 7.5412 7.5412 7.7504 7.7504 8.2944 8.3006 8.3421 8.3421 8.5018 8.5018 8.6085 8.6085 8.7161 8.7220 8.7748 8.7748 10.3429 10.3479 10.3569 10.3569 10.4800 10.4800 10.4992 10.5006 15.5948 15.5948 15.9080 15.9080 16.0013 16.0028 16.0689 16.0689 k = 0.3333 0.5774 0.5146 ( 4839 PWs) bands (ev): -16.3102 -16.3102 -16.3102 -16.3102 -9.0258 -9.0258 -8.7697 -8.7697 -8.2258 -8.2243 -8.2160 -8.2160 -7.9338 -7.9338 -7.9265 -7.9264 -2.8886 -2.8729 -2.8511 -2.8511 -1.0545 -1.0545 -0.9810 -0.9612 -0.8128 -0.8128 -0.7795 -0.7795 4.0213 4.0213 4.1385 4.1498 4.1866 4.1866 4.2563 4.2563 4.3744 4.4031 4.4031 4.4059 4.5162 4.5684 4.6288 4.6288 4.8131 4.8131 4.8174 4.8365 4.9717 4.9717 5.3968 5.3968 6.9264 6.9404 6.9457 6.9457 7.2675 7.2907 7.3021 7.3021 7.5598 7.5598 7.7288 7.7288 8.3060 8.3112 8.3549 8.3549 8.5091 8.5091 8.5963 8.5963 8.7149 8.7197 8.7716 8.7716 10.3510 10.3555 10.3617 10.3617 10.4682 10.4682 10.4856 10.4863 15.6215 15.6215 15.8726 15.8726 15.9983 15.9995 16.0650 16.0650 k = 0.3333 0.5774 0.5324 ( 4839 PWs) bands (ev): -16.3100 -16.3100 -16.3100 -16.3100 -8.9949 -8.9949 -8.8021 -8.8021 -8.2263 -8.2252 -8.2167 -8.2167 -7.9341 -7.9341 -7.9267 -7.9266 -2.8869 -2.8751 -2.8506 -2.8506 -1.0552 -1.0552 -0.9784 -0.9634 -0.8113 -0.8113 -0.7813 -0.7813 4.0565 4.0565 4.1413 4.1493 4.1883 4.1883 4.2413 4.2413 4.3881 4.4167 4.4180 4.4180 4.5280 4.5760 4.6344 4.6344 4.7777 4.7777 4.7844 4.8030 5.0138 5.0138 5.3391 5.3391 6.9604 6.9734 6.9792 6.9792 7.2488 7.2687 7.2819 7.2819 7.5787 7.5787 7.7075 7.7075 8.3153 8.3193 8.3649 8.3649 8.5171 8.5171 8.5847 8.5847 8.7140 8.7177 8.7690 8.7690 10.3587 10.3626 10.3660 10.3660 10.4585 10.4585 10.4737 10.4738 15.6480 15.6480 15.8392 15.8392 15.9960 15.9969 16.0620 16.0620 k = 0.3333 0.5774 0.5501 ( 4833 PWs) bands (ev): -16.3098 -16.3098 -16.3098 -16.3098 -8.9636 -8.9636 -8.8345 -8.8345 -8.2267 -8.2259 -8.2173 -8.2173 -7.9343 -7.9343 -7.9269 -7.9268 -2.8851 -2.8772 -2.8502 -2.8502 -1.0557 -1.0557 -0.9758 -0.9658 -0.8100 -0.8100 -0.7828 -0.7828 4.0911 4.0911 4.1431 4.1483 4.1877 4.1877 4.2211 4.2211 4.4006 4.4220 4.4316 4.4316 4.5446 4.5825 4.6426 4.6426 4.7461 4.7461 4.7576 4.7738 5.0615 5.0615 5.2814 5.2814 6.9893 7.0000 7.0068 7.0068 7.2329 7.2481 7.2638 7.2638 7.5974 7.5974 7.6871 7.6871 8.3222 8.3250 8.3722 8.3722 8.5252 8.5252 8.5739 8.5739 8.7135 8.7160 8.7671 8.7671 10.3656 10.3684 10.3693 10.3693 10.4512 10.4512 10.4639 10.4641 15.6739 15.6739 15.8083 15.8083 15.9944 15.9949 16.0599 16.0599 k = 0.3333 0.5774 0.5678 ( 4845 PWs) bands (ev): -16.3098 -16.3098 -16.3097 -16.3097 -8.9323 -8.9323 -8.8665 -8.8665 -8.2268 -8.2265 -8.2176 -8.2176 -7.9344 -7.9344 -7.9270 -7.9269 -2.8833 -2.8793 -2.8500 -2.8500 -1.0560 -1.0560 -0.9732 -0.9682 -0.8092 -0.8092 -0.7838 -0.7838 4.1242 4.1242 4.1445 4.1470 4.1805 4.1805 4.2025 4.2025 4.4108 4.4222 4.4412 4.4412 4.5627 4.5843 4.6525 4.6525 4.7210 4.7210 4.7409 4.7511 5.1131 5.1131 5.2243 5.2243 7.0106 7.0169 7.0258 7.0258 7.2228 7.2313 7.2507 7.2507 7.6148 7.6148 7.6686 7.6686 8.3267 8.3281 8.3766 8.3766 8.5326 8.5326 8.5648 8.5648 8.7134 8.7147 8.7658 8.7658 10.3706 10.3716 10.3716 10.3722 10.4465 10.4465 10.4573 10.4576 15.6974 15.6974 15.7819 15.7819 15.9935 15.9937 16.0587 16.0587 k = 0.3333 0.5774 0.5856 ( 4836 PWs) bands (ev): -16.3097 -16.3097 -16.3097 -16.3097 -8.9063 -8.9063 -8.8927 -8.8927 -8.2268 -8.2268 -8.2177 -8.2177 -7.9345 -7.9345 -7.9270 -7.9270 -2.8813 -2.8813 -2.8499 -2.8499 -1.0561 -1.0561 -0.9707 -0.9707 -0.8089 -0.8089 -0.7841 -0.7841 4.1458 4.1458 4.1492 4.1492 4.1629 4.1629 4.1975 4.1975 4.4182 4.4182 4.4446 4.4446 4.5776 4.5776 4.6584 4.6584 4.7098 4.7098 4.7389 4.7389 5.1626 5.1626 5.1731 5.1731 7.0207 7.0207 7.0327 7.0327 7.2220 7.2220 7.2458 7.2458 7.6245 7.6245 7.6586 7.6586 8.3287 8.3287 8.3780 8.3780 8.5363 8.5363 8.5605 8.5605 8.7138 8.7138 8.7654 8.7654 10.3724 10.3724 10.3730 10.3730 10.4450 10.4450 10.4551 10.4551 15.7094 15.7094 15.7688 15.7688 15.9932 15.9932 16.0583 16.0583 Writing output data file BaNiO3.save init_run : 5.04s CPU 13.79s WALL ( 1 calls) electrons : 2147.31s CPU 2185.19s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.47s CPU 1.56s WALL ( 1 calls) Called by electrons: c_bands : 2147.29s CPU 2184.88s WALL ( 1 calls) v_of_rho : 0.26s CPU 1.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.25s CPU 0.61s WALL ( 1 calls) newd : 0.40s CPU 0.72s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.10s WALL ( 288 calls) cegterg : 2083.02s CPU 2117.45s WALL ( 846 calls) Called by sum_band: Called by *egterg: h_psi : 576.53s CPU 599.00s WALL ( 15335 calls) s_psi : 89.33s CPU 90.20s WALL ( 15335 calls) g_psi : 1.37s CPU 1.35s WALL ( 14201 calls) cdiaghg : 1106.03s CPU 1109.84s WALL ( 14489 calls) cegterg:over : 173.76s CPU 171.81s WALL ( 14201 calls) cegterg:upda : 50.25s CPU 52.86s WALL ( 14201 calls) cegterg:last : 33.94s CPU 34.69s WALL ( 1998 calls) Called by h_psi: h_psi:vloc : 399.40s CPU 418.01s WALL ( 15335 calls) h_psi:vnl : 176.54s CPU 179.58s WALL ( 15335 calls) add_vuspsi : 67.46s CPU 72.29s WALL ( 15335 calls) General routines calbec : 108.99s CPU 107.17s WALL ( 15335 calls) fft : 0.41s CPU 1.47s WALL ( 19 calls) ffts : 0.00s CPU 0.02s WALL ( 4 calls) fftw : 375.05s CPU 387.68s WALL ( 2257344 calls) interpolate : 0.01s CPU 0.04s WALL ( 4 calls) davcio : 0.03s CPU 2.09s WALL ( 576 calls) Parallel routines fft_scatter : 269.04s CPU 263.40s WALL ( 2257367 calls) PWSCF : 37m 5.66s CPU 39m51.54s WALL This run was terminated on: 7:12:45 21Nov2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=