Program PWSCF v.5.1.1 starts on 3Nov2015 at 22:12: 9 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: ./CaAgAs.save/ file Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 72 48 14 2064 1131 176 Max 73 49 15 2067 1145 179 Sum 3493 2347 673 99127 54665 8503 bravais-lattice index = 14 lattice parameter (alat) = 13.6136 a.u. unit-cell volume = 1295.0974 (a.u.)^3 number of atoms/cell = 9 number of atomic types = 3 number of electrons = 78.00 number of Kohn-Sham states= 94 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 274.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 13.613586 celldm(2)= 1.000000 celldm(3)= 0.592726 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 0.592726 ) 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 1.687119 ) PseudoPot. # 1 for As read from file: /home/autes/Pseudo/As.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 91883ac77fc8b4c49e33555c42516b17 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1209 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ca read from file: /home/autes/Pseudo/Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 60bd286d514994a6a955285ae841e6ef Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1169 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Ag read from file: /home/autes/Pseudo/Ag.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 30ab375624a706b88a092e30a79375fd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1237 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 As 5.00 74.92160 As( 1.00) Ca 10.00 40.07800 Ca( 1.00) Ag 11.00 107.86820 Ag( 1.00) 12 Sym. Ops. (no inversion) found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 4) = ( -0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( -1 -1 0 ) ( 0 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 = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 0 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 [0,0,1] cryst. s( 7) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 7) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 8) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 8) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 60 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 9) = ( -0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 60 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s(10) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cryst. axis [1,-1,0] cryst. s(11) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(11) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [2,1,0] cryst. s(12) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s(12) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_3h (-62m) there are 9 classes and 3 irreducible representations the character table: E -E 2C3 -2C3 3C2' s_h 2S3 -2S3 3s_v -3C2' -s_h' -3s_v G_7 2.00 -2.00 1.00 -1.00 0.00 0.00 1.73 -1.73 0.00 G_8 2.00 -2.00 1.00 -1.00 0.00 0.00 -1.73 1.73 0.00 G_9 2.00 -2.00 -2.00 2.00 0.00 0.00 0.00 0.00 0.00 the symmetry operations in each class: E 1 3C2'-3C2' 2 5 -6 -2 6 -5 2C3 3 4 3s_v-3s_v 7 -7 3s_v-3s_v 8 -8 -12 -11 11 12 2S3 9 10 -E -1 -2C3 -3 -4 -2S3 -9 -10 Cartesian axes number of k points= 262 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038168 k( 2) = ( 0.0192308 0.0111029 -0.0000000), wk = 0.0038168 k( 3) = ( 0.0384615 0.0222058 -0.0000000), wk = 0.0038168 k( 4) = ( 0.0576923 0.0333087 -0.0000000), wk = 0.0038168 k( 5) = ( 0.0769231 0.0444116 -0.0000000), wk = 0.0038168 k( 6) = ( 0.0961538 0.0555145 -0.0000000), wk = 0.0038168 k( 7) = ( 0.1153846 0.0666173 -0.0000000), wk = 0.0038168 k( 8) = ( 0.1346154 0.0777202 -0.0000000), wk = 0.0038168 k( 9) = ( 0.1538461 0.0888231 -0.0000000), wk = 0.0038168 k( 10) = ( 0.1730769 0.0999260 -0.0000000), wk = 0.0038168 k( 11) = ( 0.1923077 0.1110289 -0.0000000), wk = 0.0038168 k( 12) = ( 0.2115385 0.1221318 -0.0000000), wk = 0.0038168 k( 13) = ( 0.2307692 0.1332347 -0.0000000), wk = 0.0038168 k( 14) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0038168 k( 15) = ( 0.2692308 0.1554405 -0.0000000), wk = 0.0038168 k( 16) = ( 0.2884615 0.1665433 -0.0000000), wk = 0.0038168 k( 17) = ( 0.3076923 0.1776462 -0.0000000), wk = 0.0038168 k( 18) = ( 0.3269231 0.1887491 -0.0000000), wk = 0.0038168 k( 19) = ( 0.3461538 0.1998520 -0.0000000), wk = 0.0038168 k( 20) = ( 0.3653846 0.2109549 -0.0000000), wk = 0.0038168 k( 21) = ( 0.3846154 0.2220578 -0.0000000), wk = 0.0038168 k( 22) = ( 0.4038462 0.2331607 -0.0000000), wk = 0.0038168 k( 23) = ( 0.4230769 0.2442636 -0.0000000), wk = 0.0038168 k( 24) = ( 0.4423077 0.2553665 -0.0000000), wk = 0.0038168 k( 25) = ( 0.4615385 0.2664694 -0.0000000), wk = 0.0038168 k( 26) = ( 0.4807692 0.2775722 -0.0000000), wk = 0.0038168 k( 27) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0038168 k( 28) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0038168 k( 29) = ( 0.4888889 0.3079201 -0.0000000), wk = 0.0038168 k( 30) = ( 0.4777778 0.3271651 -0.0000000), wk = 0.0038168 k( 31) = ( 0.4666667 0.3464102 -0.0000000), wk = 0.0038168 k( 32) = ( 0.4555556 0.3656552 -0.0000000), wk = 0.0038168 k( 33) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0038168 k( 34) = ( 0.4333333 0.4041452 -0.0000000), wk = 0.0038168 k( 35) = ( 0.4222222 0.4233902 -0.0000000), wk = 0.0038168 k( 36) = ( 0.4111111 0.4426352 -0.0000000), wk = 0.0038168 k( 37) = ( 0.4000000 0.4618802 -0.0000000), wk = 0.0038168 k( 38) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0038168 k( 39) = ( 0.3777778 0.5003702 -0.0000000), wk = 0.0038168 k( 40) = ( 0.3666667 0.5196152 -0.0000000), wk = 0.0038168 k( 41) = ( 0.3555556 0.5388603 -0.0000000), wk = 0.0038168 k( 42) = ( 0.3444444 0.5581053 -0.0000000), wk = 0.0038168 k( 43) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0038168 k( 44) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0038168 k( 45) = ( 0.3222222 0.5581053 -0.0000000), wk = 0.0038168 k( 46) = ( 0.3111111 0.5388602 -0.0000000), wk = 0.0038168 k( 47) = ( 0.3000000 0.5196152 -0.0000000), wk = 0.0038168 k( 48) = ( 0.2888889 0.5003702 -0.0000000), wk = 0.0038168 k( 49) = ( 0.2777778 0.4811252 -0.0000000), wk = 0.0038168 k( 50) = ( 0.2666667 0.4618802 -0.0000000), wk = 0.0038168 k( 51) = ( 0.2555556 0.4426352 -0.0000000), wk = 0.0038168 k( 52) = ( 0.2444444 0.4233902 -0.0000000), wk = 0.0038168 k( 53) = ( 0.2333333 0.4041452 -0.0000000), wk = 0.0038168 k( 54) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0038168 k( 55) = ( 0.2111111 0.3656552 -0.0000000), wk = 0.0038168 k( 56) = ( 0.2000000 0.3464102 -0.0000000), wk = 0.0038168 k( 57) = ( 0.1888889 0.3271652 -0.0000000), wk = 0.0038168 k( 58) = ( 0.1777778 0.3079201 -0.0000000), wk = 0.0038168 k( 59) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0038168 k( 60) = ( 0.1555556 0.2694301 -0.0000000), wk = 0.0038168 k( 61) = ( 0.1444444 0.2501851 -0.0000000), wk = 0.0038168 k( 62) = ( 0.1333333 0.2309401 -0.0000000), wk = 0.0038168 k( 63) = ( 0.1222222 0.2116951 -0.0000000), wk = 0.0038168 k( 64) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0038168 k( 65) = ( 0.1000000 0.1732051 -0.0000000), wk = 0.0038168 k( 66) = ( 0.0888889 0.1539601 -0.0000000), wk = 0.0038168 k( 67) = ( 0.0777778 0.1347151 -0.0000000), wk = 0.0038168 k( 68) = ( 0.0666667 0.1154701 -0.0000000), wk = 0.0038168 k( 69) = ( 0.0555556 0.0962251 -0.0000000), wk = 0.0038168 k( 70) = ( 0.0444444 0.0769800 -0.0000000), wk = 0.0038168 k( 71) = ( 0.0333333 0.0577350 -0.0000000), wk = 0.0038168 k( 72) = ( 0.0222222 0.0384900 -0.0000000), wk = 0.0038168 k( 73) = ( 0.0111111 0.0192450 -0.0000000), wk = 0.0038168 k( 74) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038168 k( 75) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038168 k( 76) = ( 0.0000000 0.0000000 0.0227989), wk = 0.0038168 k( 77) = ( 0.0000000 0.0000000 0.0455978), wk = 0.0038168 k( 78) = ( 0.0000000 0.0000000 0.0683967), wk = 0.0038168 k( 79) = ( 0.0000000 0.0000000 0.0911956), wk = 0.0038168 k( 80) = ( 0.0000000 0.0000000 0.1139946), wk = 0.0038168 k( 81) = ( 0.0000000 0.0000000 0.1367935), wk = 0.0038168 k( 82) = ( 0.0000000 0.0000000 0.1595924), wk = 0.0038168 k( 83) = ( 0.0000000 0.0000000 0.1823913), wk = 0.0038168 k( 84) = ( 0.0000000 0.0000000 0.2051902), wk = 0.0038168 k( 85) = ( 0.0000000 0.0000000 0.2279891), wk = 0.0038168 k( 86) = ( 0.0000000 0.0000000 0.2507880), wk = 0.0038168 k( 87) = ( 0.0000000 0.0000000 0.2735869), wk = 0.0038168 k( 88) = ( 0.0000000 0.0000000 0.2963859), wk = 0.0038168 k( 89) = ( 0.0000000 0.0000000 0.3191848), wk = 0.0038168 k( 90) = ( 0.0000000 0.0000000 0.3419837), wk = 0.0038168 k( 91) = ( 0.0000000 0.0000000 0.3647826), wk = 0.0038168 k( 92) = ( 0.0000000 0.0000000 0.3875815), wk = 0.0038168 k( 93) = ( 0.0000000 0.0000000 0.4103804), wk = 0.0038168 k( 94) = ( 0.0000000 0.0000000 0.4331793), wk = 0.0038168 k( 95) = ( 0.0000000 0.0000000 0.4559782), wk = 0.0038168 k( 96) = ( 0.0000000 0.0000000 0.4787771), wk = 0.0038168 k( 97) = ( 0.0000000 0.0000000 0.5015761), wk = 0.0038168 k( 98) = ( 0.0000000 0.0000000 0.5243750), wk = 0.0038168 k( 99) = ( 0.0000000 0.0000000 0.5471739), wk = 0.0038168 k( 100) = ( 0.0000000 0.0000000 0.5699728), wk = 0.0038168 k( 101) = ( 0.0000000 0.0000000 0.5927717), wk = 0.0038168 k( 102) = ( 0.0000000 0.0000000 0.6155706), wk = 0.0038168 k( 103) = ( 0.0000000 0.0000000 0.6383695), wk = 0.0038168 k( 104) = ( 0.0000000 0.0000000 0.6611684), wk = 0.0038168 k( 105) = ( 0.0000000 0.0000000 0.6839673), wk = 0.0038168 k( 106) = ( 0.0000000 0.0000000 0.7067663), wk = 0.0038168 k( 107) = ( 0.0000000 0.0000000 0.7295652), wk = 0.0038168 k( 108) = ( 0.0000000 0.0000000 0.7523641), wk = 0.0038168 k( 109) = ( 0.0000000 0.0000000 0.7751630), wk = 0.0038168 k( 110) = ( 0.0000000 0.0000000 0.7979619), wk = 0.0038168 k( 111) = ( 0.0000000 0.0000000 0.8207608), wk = 0.0038168 k( 112) = ( 0.0000000 0.0000000 0.8435597), wk = 0.0038168 k( 113) = ( 0.0000000 0.0000000 0.8435597), wk = 0.0038168 k( 114) = ( 0.0192308 0.0111029 0.8435597), wk = 0.0038168 k( 115) = ( 0.0384615 0.0222058 0.8435597), wk = 0.0038168 k( 116) = ( 0.0576923 0.0333087 0.8435597), wk = 0.0038168 k( 117) = ( 0.0769231 0.0444116 0.8435597), wk = 0.0038168 k( 118) = ( 0.0961538 0.0555145 0.8435597), wk = 0.0038168 k( 119) = ( 0.1153846 0.0666173 0.8435597), wk = 0.0038168 k( 120) = ( 0.1346154 0.0777202 0.8435597), wk = 0.0038168 k( 121) = ( 0.1538461 0.0888231 0.8435597), wk = 0.0038168 k( 122) = ( 0.1730769 0.0999260 0.8435597), wk = 0.0038168 k( 123) = ( 0.1923077 0.1110289 0.8435597), wk = 0.0038168 k( 124) = ( 0.2115385 0.1221318 0.8435597), wk = 0.0038168 k( 125) = ( 0.2307692 0.1332347 0.8435597), wk = 0.0038168 k( 126) = ( 0.2500000 0.1443376 0.8435597), wk = 0.0038168 k( 127) = ( 0.2692308 0.1554405 0.8435597), wk = 0.0038168 k( 128) = ( 0.2884615 0.1665433 0.8435597), wk = 0.0038168 k( 129) = ( 0.3076923 0.1776462 0.8435597), wk = 0.0038168 k( 130) = ( 0.3269231 0.1887491 0.8435597), wk = 0.0038168 k( 131) = ( 0.3461538 0.1998520 0.8435597), wk = 0.0038168 k( 132) = ( 0.3653846 0.2109549 0.8435597), wk = 0.0038168 k( 133) = ( 0.3846154 0.2220578 0.8435597), wk = 0.0038168 k( 134) = ( 0.4038462 0.2331607 0.8435597), wk = 0.0038168 k( 135) = ( 0.4230769 0.2442636 0.8435597), wk = 0.0038168 k( 136) = ( 0.4423077 0.2553665 0.8435597), wk = 0.0038168 k( 137) = ( 0.4615385 0.2664694 0.8435597), wk = 0.0038168 k( 138) = ( 0.4807692 0.2775722 0.8435597), wk = 0.0038168 k( 139) = ( 0.5000000 0.2886751 0.8435597), wk = 0.0038168 k( 140) = ( 0.5000000 0.2886751 0.8435597), wk = 0.0038168 k( 141) = ( 0.4888889 0.3079201 0.8435597), wk = 0.0038168 k( 142) = ( 0.4777778 0.3271651 0.8435597), wk = 0.0038168 k( 143) = ( 0.4666667 0.3464102 0.8435597), wk = 0.0038168 k( 144) = ( 0.4555556 0.3656552 0.8435597), wk = 0.0038168 k( 145) = ( 0.4444444 0.3849002 0.8435597), wk = 0.0038168 k( 146) = ( 0.4333333 0.4041452 0.8435597), wk = 0.0038168 k( 147) = ( 0.4222222 0.4233902 0.8435597), wk = 0.0038168 k( 148) = ( 0.4111111 0.4426352 0.8435597), wk = 0.0038168 k( 149) = ( 0.4000000 0.4618802 0.8435597), wk = 0.0038168 k( 150) = ( 0.3888889 0.4811252 0.8435597), wk = 0.0038168 k( 151) = ( 0.3777778 0.5003702 0.8435597), wk = 0.0038168 k( 152) = ( 0.3666667 0.5196152 0.8435597), wk = 0.0038168 k( 153) = ( 0.3555556 0.5388603 0.8435597), wk = 0.0038168 k( 154) = ( 0.3444444 0.5581053 0.8435597), wk = 0.0038168 k( 155) = ( 0.3333333 0.5773503 0.8435597), wk = 0.0038168 k( 156) = ( 0.3333333 0.5773503 0.8435597), wk = 0.0038168 k( 157) = ( 0.3222222 0.5581053 0.8435597), wk = 0.0038168 k( 158) = ( 0.3111111 0.5388602 0.8435597), wk = 0.0038168 k( 159) = ( 0.3000000 0.5196152 0.8435597), wk = 0.0038168 k( 160) = ( 0.2888889 0.5003702 0.8435597), wk = 0.0038168 k( 161) = ( 0.2777778 0.4811252 0.8435597), wk = 0.0038168 k( 162) = ( 0.2666667 0.4618802 0.8435597), wk = 0.0038168 k( 163) = ( 0.2555556 0.4426352 0.8435597), wk = 0.0038168 k( 164) = ( 0.2444444 0.4233902 0.8435597), wk = 0.0038168 k( 165) = ( 0.2333333 0.4041452 0.8435597), wk = 0.0038168 k( 166) = ( 0.2222222 0.3849002 0.8435597), wk = 0.0038168 k( 167) = ( 0.2111111 0.3656552 0.8435597), wk = 0.0038168 k( 168) = ( 0.2000000 0.3464102 0.8435597), wk = 0.0038168 k( 169) = ( 0.1888889 0.3271652 0.8435597), wk = 0.0038168 k( 170) = ( 0.1777778 0.3079201 0.8435597), wk = 0.0038168 k( 171) = ( 0.1666667 0.2886751 0.8435597), wk = 0.0038168 k( 172) = ( 0.1555556 0.2694301 0.8435597), wk = 0.0038168 k( 173) = ( 0.1444444 0.2501851 0.8435597), wk = 0.0038168 k( 174) = ( 0.1333333 0.2309401 0.8435597), wk = 0.0038168 k( 175) = ( 0.1222222 0.2116951 0.8435597), wk = 0.0038168 k( 176) = ( 0.1111111 0.1924501 0.8435597), wk = 0.0038168 k( 177) = ( 0.1000000 0.1732051 0.8435597), wk = 0.0038168 k( 178) = ( 0.0888889 0.1539601 0.8435597), wk = 0.0038168 k( 179) = ( 0.0777778 0.1347151 0.8435597), wk = 0.0038168 k( 180) = ( 0.0666667 0.1154701 0.8435597), wk = 0.0038168 k( 181) = ( 0.0555556 0.0962251 0.8435597), wk = 0.0038168 k( 182) = ( 0.0444444 0.0769800 0.8435597), wk = 0.0038168 k( 183) = ( 0.0333333 0.0577350 0.8435597), wk = 0.0038168 k( 184) = ( 0.0222222 0.0384900 0.8435597), wk = 0.0038168 k( 185) = ( 0.0111111 0.0192450 0.8435597), wk = 0.0038168 k( 186) = ( 0.0000000 0.0000000 0.8435597), wk = 0.0038168 k( 187) = ( 0.5000000 0.2886751 0.8435597), wk = 0.0038168 k( 188) = ( 0.5000000 0.2886751 0.8207608), wk = 0.0038168 k( 189) = ( 0.5000000 0.2886751 0.7979619), wk = 0.0038168 k( 190) = ( 0.5000000 0.2886751 0.7751630), wk = 0.0038168 k( 191) = ( 0.5000000 0.2886751 0.7523641), wk = 0.0038168 k( 192) = ( 0.5000000 0.2886751 0.7295652), wk = 0.0038168 k( 193) = ( 0.5000000 0.2886751 0.7067663), wk = 0.0038168 k( 194) = ( 0.5000000 0.2886751 0.6839673), wk = 0.0038168 k( 195) = ( 0.5000000 0.2886751 0.6611684), wk = 0.0038168 k( 196) = ( 0.5000000 0.2886751 0.6383695), wk = 0.0038168 k( 197) = ( 0.5000000 0.2886751 0.6155706), wk = 0.0038168 k( 198) = ( 0.5000000 0.2886751 0.5927717), wk = 0.0038168 k( 199) = ( 0.5000000 0.2886751 0.5699728), wk = 0.0038168 k( 200) = ( 0.5000000 0.2886751 0.5471739), wk = 0.0038168 k( 201) = ( 0.5000000 0.2886751 0.5243750), wk = 0.0038168 k( 202) = ( 0.5000000 0.2886751 0.5015761), wk = 0.0038168 k( 203) = ( 0.5000000 0.2886751 0.4787771), wk = 0.0038168 k( 204) = ( 0.5000000 0.2886751 0.4559782), wk = 0.0038168 k( 205) = ( 0.5000000 0.2886751 0.4331793), wk = 0.0038168 k( 206) = ( 0.5000000 0.2886751 0.4103804), wk = 0.0038168 k( 207) = ( 0.5000000 0.2886751 0.3875815), wk = 0.0038168 k( 208) = ( 0.5000000 0.2886751 0.3647826), wk = 0.0038168 k( 209) = ( 0.5000000 0.2886751 0.3419837), wk = 0.0038168 k( 210) = ( 0.5000000 0.2886751 0.3191848), wk = 0.0038168 k( 211) = ( 0.5000000 0.2886751 0.2963859), wk = 0.0038168 k( 212) = ( 0.5000000 0.2886751 0.2735869), wk = 0.0038168 k( 213) = ( 0.5000000 0.2886751 0.2507880), wk = 0.0038168 k( 214) = ( 0.5000000 0.2886751 0.2279891), wk = 0.0038168 k( 215) = ( 0.5000000 0.2886751 0.2051902), wk = 0.0038168 k( 216) = ( 0.5000000 0.2886751 0.1823913), wk = 0.0038168 k( 217) = ( 0.5000000 0.2886751 0.1595924), wk = 0.0038168 k( 218) = ( 0.5000000 0.2886751 0.1367935), wk = 0.0038168 k( 219) = ( 0.5000000 0.2886751 0.1139946), wk = 0.0038168 k( 220) = ( 0.5000000 0.2886751 0.0911956), wk = 0.0038168 k( 221) = ( 0.5000000 0.2886751 0.0683967), wk = 0.0038168 k( 222) = ( 0.5000000 0.2886751 0.0455978), wk = 0.0038168 k( 223) = ( 0.5000000 0.2886751 0.0227989), wk = 0.0038168 k( 224) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0038168 k( 225) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0038168 k( 226) = ( 0.3333333 0.5773503 0.0227989), wk = 0.0038168 k( 227) = ( 0.3333333 0.5773503 0.0455978), wk = 0.0038168 k( 228) = ( 0.3333333 0.5773503 0.0683967), wk = 0.0038168 k( 229) = ( 0.3333333 0.5773503 0.0911956), wk = 0.0038168 k( 230) = ( 0.3333333 0.5773503 0.1139946), wk = 0.0038168 k( 231) = ( 0.3333333 0.5773503 0.1367935), wk = 0.0038168 k( 232) = ( 0.3333333 0.5773503 0.1595924), wk = 0.0038168 k( 233) = ( 0.3333333 0.5773503 0.1823913), wk = 0.0038168 k( 234) = ( 0.3333333 0.5773503 0.2051902), wk = 0.0038168 k( 235) = ( 0.3333333 0.5773503 0.2279891), wk = 0.0038168 k( 236) = ( 0.3333333 0.5773503 0.2507880), wk = 0.0038168 k( 237) = ( 0.3333333 0.5773503 0.2735869), wk = 0.0038168 k( 238) = ( 0.3333333 0.5773503 0.2963859), wk = 0.0038168 k( 239) = ( 0.3333333 0.5773503 0.3191848), wk = 0.0038168 k( 240) = ( 0.3333333 0.5773503 0.3419837), wk = 0.0038168 k( 241) = ( 0.3333333 0.5773503 0.3647826), wk = 0.0038168 k( 242) = ( 0.3333333 0.5773503 0.3875815), wk = 0.0038168 k( 243) = ( 0.3333333 0.5773503 0.4103804), wk = 0.0038168 k( 244) = ( 0.3333333 0.5773503 0.4331793), wk = 0.0038168 k( 245) = ( 0.3333333 0.5773503 0.4559782), wk = 0.0038168 k( 246) = ( 0.3333333 0.5773503 0.4787771), wk = 0.0038168 k( 247) = ( 0.3333333 0.5773503 0.5015761), wk = 0.0038168 k( 248) = ( 0.3333333 0.5773503 0.5243750), wk = 0.0038168 k( 249) = ( 0.3333333 0.5773503 0.5471739), wk = 0.0038168 k( 250) = ( 0.3333333 0.5773503 0.5699728), wk = 0.0038168 k( 251) = ( 0.3333333 0.5773503 0.5927717), wk = 0.0038168 k( 252) = ( 0.3333333 0.5773503 0.6155706), wk = 0.0038168 k( 253) = ( 0.3333333 0.5773503 0.6383695), wk = 0.0038168 k( 254) = ( 0.3333333 0.5773503 0.6611684), wk = 0.0038168 k( 255) = ( 0.3333333 0.5773503 0.6839673), wk = 0.0038168 k( 256) = ( 0.3333333 0.5773503 0.7067663), wk = 0.0038168 k( 257) = ( 0.3333333 0.5773503 0.7295652), wk = 0.0038168 k( 258) = ( 0.3333333 0.5773503 0.7523641), wk = 0.0038168 k( 259) = ( 0.3333333 0.5773503 0.7751630), wk = 0.0038168 k( 260) = ( 0.3333333 0.5773503 0.7979619), wk = 0.0038168 k( 261) = ( 0.3333333 0.5773503 0.8207608), wk = 0.0038168 k( 262) = ( 0.3333333 0.5773503 0.8435597), wk = 0.0038168 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038168 k( 2) = ( 0.0192308 0.0000000 0.0000000), wk = 0.0038168 k( 3) = ( 0.0384615 0.0000000 0.0000000), wk = 0.0038168 k( 4) = ( 0.0576923 0.0000000 0.0000000), wk = 0.0038168 k( 5) = ( 0.0769231 0.0000000 0.0000000), wk = 0.0038168 k( 6) = ( 0.0961538 0.0000000 -0.0000000), wk = 0.0038168 k( 7) = ( 0.1153846 0.0000000 0.0000000), wk = 0.0038168 k( 8) = ( 0.1346154 0.0000000 -0.0000000), wk = 0.0038168 k( 9) = ( 0.1538461 0.0000000 0.0000000), wk = 0.0038168 k( 10) = ( 0.1730769 0.0000000 0.0000000), wk = 0.0038168 k( 11) = ( 0.1923077 0.0000000 0.0000000), wk = 0.0038168 k( 12) = ( 0.2115385 0.0000000 -0.0000000), wk = 0.0038168 k( 13) = ( 0.2307692 0.0000000 -0.0000000), wk = 0.0038168 k( 14) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0038168 k( 15) = ( 0.2692308 0.0000000 -0.0000000), wk = 0.0038168 k( 16) = ( 0.2884615 0.0000000 -0.0000000), wk = 0.0038168 k( 17) = ( 0.3076923 0.0000000 -0.0000000), wk = 0.0038168 k( 18) = ( 0.3269231 0.0000000 -0.0000000), wk = 0.0038168 k( 19) = ( 0.3461538 0.0000000 0.0000000), wk = 0.0038168 k( 20) = ( 0.3653846 0.0000000 -0.0000000), wk = 0.0038168 k( 21) = ( 0.3846154 0.0000000 0.0000000), wk = 0.0038168 k( 22) = ( 0.4038462 0.0000000 -0.0000000), wk = 0.0038168 k( 23) = ( 0.4230769 0.0000000 -0.0000000), wk = 0.0038168 k( 24) = ( 0.4423077 0.0000000 0.0000000), wk = 0.0038168 k( 25) = ( 0.4615385 0.0000000 -0.0000000), wk = 0.0038168 k( 26) = ( 0.4807692 0.0000000 0.0000000), wk = 0.0038168 k( 27) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0038168 k( 28) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0038168 k( 29) = ( 0.4888889 0.0222222 0.0000000), wk = 0.0038168 k( 30) = ( 0.4777778 0.0444444 0.0000000), wk = 0.0038168 k( 31) = ( 0.4666667 0.0666667 -0.0000000), wk = 0.0038168 k( 32) = ( 0.4555556 0.0888889 -0.0000000), wk = 0.0038168 k( 33) = ( 0.4444444 0.1111111 0.0000000), wk = 0.0038168 k( 34) = ( 0.4333333 0.1333333 0.0000000), wk = 0.0038168 k( 35) = ( 0.4222222 0.1555556 0.0000000), wk = 0.0038168 k( 36) = ( 0.4111111 0.1777778 0.0000000), wk = 0.0038168 k( 37) = ( 0.4000000 0.2000000 -0.0000000), wk = 0.0038168 k( 38) = ( 0.3888889 0.2222222 0.0000000), wk = 0.0038168 k( 39) = ( 0.3777778 0.2444444 -0.0000000), wk = 0.0038168 k( 40) = ( 0.3666667 0.2666667 -0.0000000), wk = 0.0038168 k( 41) = ( 0.3555556 0.2888889 0.0000000), wk = 0.0038168 k( 42) = ( 0.3444444 0.3111111 0.0000000), wk = 0.0038168 k( 43) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0038168 k( 44) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0038168 k( 45) = ( 0.3222222 0.3222222 0.0000000), wk = 0.0038168 k( 46) = ( 0.3111111 0.3111111 0.0000000), wk = 0.0038168 k( 47) = ( 0.3000000 0.3000000 0.0000000), wk = 0.0038168 k( 48) = ( 0.2888889 0.2888889 0.0000000), wk = 0.0038168 k( 49) = ( 0.2777778 0.2777778 0.0000000), wk = 0.0038168 k( 50) = ( 0.2666667 0.2666667 0.0000000), wk = 0.0038168 k( 51) = ( 0.2555556 0.2555556 -0.0000000), wk = 0.0038168 k( 52) = ( 0.2444444 0.2444444 0.0000000), wk = 0.0038168 k( 53) = ( 0.2333333 0.2333333 0.0000000), wk = 0.0038168 k( 54) = ( 0.2222222 0.2222222 -0.0000000), wk = 0.0038168 k( 55) = ( 0.2111111 0.2111111 0.0000000), wk = 0.0038168 k( 56) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0038168 k( 57) = ( 0.1888889 0.1888889 -0.0000000), wk = 0.0038168 k( 58) = ( 0.1777778 0.1777778 0.0000000), wk = 0.0038168 k( 59) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0038168 k( 60) = ( 0.1555556 0.1555556 0.0000000), wk = 0.0038168 k( 61) = ( 0.1444444 0.1444444 0.0000000), wk = 0.0038168 k( 62) = ( 0.1333333 0.1333333 -0.0000000), wk = 0.0038168 k( 63) = ( 0.1222222 0.1222222 0.0000000), wk = 0.0038168 k( 64) = ( 0.1111111 0.1111111 -0.0000000), wk = 0.0038168 k( 65) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0038168 k( 66) = ( 0.0888889 0.0888889 0.0000000), wk = 0.0038168 k( 67) = ( 0.0777778 0.0777778 0.0000000), wk = 0.0038168 k( 68) = ( 0.0666667 0.0666667 0.0000000), wk = 0.0038168 k( 69) = ( 0.0555556 0.0555556 0.0000000), wk = 0.0038168 k( 70) = ( 0.0444444 0.0444444 -0.0000000), wk = 0.0038168 k( 71) = ( 0.0333333 0.0333333 0.0000000), wk = 0.0038168 k( 72) = ( 0.0222222 0.0222222 -0.0000000), wk = 0.0038168 k( 73) = ( 0.0111111 0.0111111 -0.0000000), wk = 0.0038168 k( 74) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038168 k( 75) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038168 k( 76) = ( 0.0000000 0.0000000 0.0135135), wk = 0.0038168 k( 77) = ( 0.0000000 0.0000000 0.0270270), wk = 0.0038168 k( 78) = ( 0.0000000 0.0000000 0.0405405), wk = 0.0038168 k( 79) = ( 0.0000000 0.0000000 0.0540541), wk = 0.0038168 k( 80) = ( 0.0000000 0.0000000 0.0675676), wk = 0.0038168 k( 81) = ( 0.0000000 0.0000000 0.0810811), wk = 0.0038168 k( 82) = ( 0.0000000 0.0000000 0.0945946), wk = 0.0038168 k( 83) = ( 0.0000000 0.0000000 0.1081081), wk = 0.0038168 k( 84) = ( 0.0000000 0.0000000 0.1216216), wk = 0.0038168 k( 85) = ( 0.0000000 0.0000000 0.1351351), wk = 0.0038168 k( 86) = ( 0.0000000 0.0000000 0.1486487), wk = 0.0038168 k( 87) = ( 0.0000000 0.0000000 0.1621622), wk = 0.0038168 k( 88) = ( 0.0000000 0.0000000 0.1756757), wk = 0.0038168 k( 89) = ( 0.0000000 0.0000000 0.1891892), wk = 0.0038168 k( 90) = ( 0.0000000 0.0000000 0.2027027), wk = 0.0038168 k( 91) = ( 0.0000000 0.0000000 0.2162162), wk = 0.0038168 k( 92) = ( 0.0000000 0.0000000 0.2297297), wk = 0.0038168 k( 93) = ( 0.0000000 0.0000000 0.2432432), wk = 0.0038168 k( 94) = ( 0.0000000 0.0000000 0.2567568), wk = 0.0038168 k( 95) = ( 0.0000000 0.0000000 0.2702703), wk = 0.0038168 k( 96) = ( 0.0000000 0.0000000 0.2837838), wk = 0.0038168 k( 97) = ( 0.0000000 0.0000000 0.2972973), wk = 0.0038168 k( 98) = ( 0.0000000 0.0000000 0.3108108), wk = 0.0038168 k( 99) = ( 0.0000000 0.0000000 0.3243243), wk = 0.0038168 k( 100) = ( 0.0000000 0.0000000 0.3378378), wk = 0.0038168 k( 101) = ( 0.0000000 0.0000000 0.3513514), wk = 0.0038168 k( 102) = ( 0.0000000 0.0000000 0.3648649), wk = 0.0038168 k( 103) = ( 0.0000000 0.0000000 0.3783784), wk = 0.0038168 k( 104) = ( 0.0000000 0.0000000 0.3918919), wk = 0.0038168 k( 105) = ( 0.0000000 0.0000000 0.4054054), wk = 0.0038168 k( 106) = ( 0.0000000 0.0000000 0.4189189), wk = 0.0038168 k( 107) = ( 0.0000000 0.0000000 0.4324324), wk = 0.0038168 k( 108) = ( 0.0000000 0.0000000 0.4459460), wk = 0.0038168 k( 109) = ( 0.0000000 0.0000000 0.4594595), wk = 0.0038168 k( 110) = ( 0.0000000 0.0000000 0.4729730), wk = 0.0038168 k( 111) = ( 0.0000000 0.0000000 0.4864865), wk = 0.0038168 k( 112) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0038168 k( 113) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0038168 k( 114) = ( 0.0192308 0.0000000 0.5000000), wk = 0.0038168 k( 115) = ( 0.0384615 0.0000000 0.5000000), wk = 0.0038168 k( 116) = ( 0.0576923 0.0000000 0.5000000), wk = 0.0038168 k( 117) = ( 0.0769231 0.0000000 0.5000000), wk = 0.0038168 k( 118) = ( 0.0961538 0.0000000 0.5000000), wk = 0.0038168 k( 119) = ( 0.1153846 0.0000000 0.5000000), wk = 0.0038168 k( 120) = ( 0.1346154 0.0000000 0.5000000), wk = 0.0038168 k( 121) = ( 0.1538461 0.0000000 0.5000000), wk = 0.0038168 k( 122) = ( 0.1730769 0.0000000 0.5000000), wk = 0.0038168 k( 123) = ( 0.1923077 0.0000000 0.5000000), wk = 0.0038168 k( 124) = ( 0.2115385 0.0000000 0.5000000), wk = 0.0038168 k( 125) = ( 0.2307692 0.0000000 0.5000000), wk = 0.0038168 k( 126) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0038168 k( 127) = ( 0.2692308 0.0000000 0.5000000), wk = 0.0038168 k( 128) = ( 0.2884615 0.0000000 0.5000000), wk = 0.0038168 k( 129) = ( 0.3076923 0.0000000 0.5000000), wk = 0.0038168 k( 130) = ( 0.3269231 0.0000000 0.5000000), wk = 0.0038168 k( 131) = ( 0.3461538 0.0000000 0.5000000), wk = 0.0038168 k( 132) = ( 0.3653846 0.0000000 0.5000000), wk = 0.0038168 k( 133) = ( 0.3846154 0.0000000 0.5000000), wk = 0.0038168 k( 134) = ( 0.4038462 0.0000000 0.5000000), wk = 0.0038168 k( 135) = ( 0.4230769 0.0000000 0.5000000), wk = 0.0038168 k( 136) = ( 0.4423077 0.0000000 0.5000000), wk = 0.0038168 k( 137) = ( 0.4615385 0.0000000 0.5000000), wk = 0.0038168 k( 138) = ( 0.4807692 0.0000000 0.5000000), wk = 0.0038168 k( 139) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0038168 k( 140) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0038168 k( 141) = ( 0.4888889 0.0222222 0.5000000), wk = 0.0038168 k( 142) = ( 0.4777778 0.0444444 0.5000000), wk = 0.0038168 k( 143) = ( 0.4666667 0.0666667 0.5000000), wk = 0.0038168 k( 144) = ( 0.4555556 0.0888889 0.5000000), wk = 0.0038168 k( 145) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0038168 k( 146) = ( 0.4333333 0.1333333 0.5000000), wk = 0.0038168 k( 147) = ( 0.4222222 0.1555556 0.5000000), wk = 0.0038168 k( 148) = ( 0.4111111 0.1777778 0.5000000), wk = 0.0038168 k( 149) = ( 0.4000000 0.2000000 0.5000000), wk = 0.0038168 k( 150) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0038168 k( 151) = ( 0.3777778 0.2444444 0.5000000), wk = 0.0038168 k( 152) = ( 0.3666667 0.2666667 0.5000000), wk = 0.0038168 k( 153) = ( 0.3555556 0.2888889 0.5000000), wk = 0.0038168 k( 154) = ( 0.3444444 0.3111111 0.5000000), wk = 0.0038168 k( 155) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0038168 k( 156) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0038168 k( 157) = ( 0.3222222 0.3222222 0.5000000), wk = 0.0038168 k( 158) = ( 0.3111111 0.3111111 0.5000000), wk = 0.0038168 k( 159) = ( 0.3000000 0.3000000 0.5000000), wk = 0.0038168 k( 160) = ( 0.2888889 0.2888889 0.5000000), wk = 0.0038168 k( 161) = ( 0.2777778 0.2777778 0.5000000), wk = 0.0038168 k( 162) = ( 0.2666667 0.2666667 0.5000000), wk = 0.0038168 k( 163) = ( 0.2555556 0.2555556 0.5000000), wk = 0.0038168 k( 164) = ( 0.2444444 0.2444444 0.5000000), wk = 0.0038168 k( 165) = ( 0.2333333 0.2333333 0.5000000), wk = 0.0038168 k( 166) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0038168 k( 167) = ( 0.2111111 0.2111111 0.5000000), wk = 0.0038168 k( 168) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0038168 k( 169) = ( 0.1888889 0.1888889 0.5000000), wk = 0.0038168 k( 170) = ( 0.1777778 0.1777778 0.5000000), wk = 0.0038168 k( 171) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0038168 k( 172) = ( 0.1555556 0.1555556 0.5000000), wk = 0.0038168 k( 173) = ( 0.1444444 0.1444444 0.5000000), wk = 0.0038168 k( 174) = ( 0.1333333 0.1333333 0.5000000), wk = 0.0038168 k( 175) = ( 0.1222222 0.1222222 0.5000000), wk = 0.0038168 k( 176) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0038168 k( 177) = ( 0.1000000 0.1000000 0.5000000), wk = 0.0038168 k( 178) = ( 0.0888889 0.0888889 0.5000000), wk = 0.0038168 k( 179) = ( 0.0777778 0.0777778 0.5000000), wk = 0.0038168 k( 180) = ( 0.0666667 0.0666667 0.5000000), wk = 0.0038168 k( 181) = ( 0.0555556 0.0555556 0.5000000), wk = 0.0038168 k( 182) = ( 0.0444444 0.0444444 0.5000000), wk = 0.0038168 k( 183) = ( 0.0333333 0.0333333 0.5000000), wk = 0.0038168 k( 184) = ( 0.0222222 0.0222222 0.5000000), wk = 0.0038168 k( 185) = ( 0.0111111 0.0111111 0.5000000), wk = 0.0038168 k( 186) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0038168 k( 187) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0038168 k( 188) = ( 0.5000000 0.0000000 0.4864865), wk = 0.0038168 k( 189) = ( 0.5000000 0.0000000 0.4729730), wk = 0.0038168 k( 190) = ( 0.5000000 0.0000000 0.4594595), wk = 0.0038168 k( 191) = ( 0.5000000 0.0000000 0.4459460), wk = 0.0038168 k( 192) = ( 0.5000000 0.0000000 0.4324324), wk = 0.0038168 k( 193) = ( 0.5000000 0.0000000 0.4189189), wk = 0.0038168 k( 194) = ( 0.5000000 0.0000000 0.4054054), wk = 0.0038168 k( 195) = ( 0.5000000 0.0000000 0.3918919), wk = 0.0038168 k( 196) = ( 0.5000000 0.0000000 0.3783784), wk = 0.0038168 k( 197) = ( 0.5000000 0.0000000 0.3648649), wk = 0.0038168 k( 198) = ( 0.5000000 0.0000000 0.3513514), wk = 0.0038168 k( 199) = ( 0.5000000 0.0000000 0.3378378), wk = 0.0038168 k( 200) = ( 0.5000000 0.0000000 0.3243243), wk = 0.0038168 k( 201) = ( 0.5000000 0.0000000 0.3108108), wk = 0.0038168 k( 202) = ( 0.5000000 0.0000000 0.2972973), wk = 0.0038168 k( 203) = ( 0.5000000 0.0000000 0.2837838), wk = 0.0038168 k( 204) = ( 0.5000000 0.0000000 0.2702703), wk = 0.0038168 k( 205) = ( 0.5000000 0.0000000 0.2567568), wk = 0.0038168 k( 206) = ( 0.5000000 0.0000000 0.2432432), wk = 0.0038168 k( 207) = ( 0.5000000 0.0000000 0.2297297), wk = 0.0038168 k( 208) = ( 0.5000000 0.0000000 0.2162162), wk = 0.0038168 k( 209) = ( 0.5000000 0.0000000 0.2027027), wk = 0.0038168 k( 210) = ( 0.5000000 0.0000000 0.1891892), wk = 0.0038168 k( 211) = ( 0.5000000 0.0000000 0.1756757), wk = 0.0038168 k( 212) = ( 0.5000000 0.0000000 0.1621622), wk = 0.0038168 k( 213) = ( 0.5000000 0.0000000 0.1486486), wk = 0.0038168 k( 214) = ( 0.5000000 0.0000000 0.1351351), wk = 0.0038168 k( 215) = ( 0.5000000 0.0000000 0.1216216), wk = 0.0038168 k( 216) = ( 0.5000000 0.0000000 0.1081081), wk = 0.0038168 k( 217) = ( 0.5000000 0.0000000 0.0945946), wk = 0.0038168 k( 218) = ( 0.5000000 0.0000000 0.0810811), wk = 0.0038168 k( 219) = ( 0.5000000 0.0000000 0.0675676), wk = 0.0038168 k( 220) = ( 0.5000000 0.0000000 0.0540541), wk = 0.0038168 k( 221) = ( 0.5000000 0.0000000 0.0405405), wk = 0.0038168 k( 222) = ( 0.5000000 0.0000000 0.0270270), wk = 0.0038168 k( 223) = ( 0.5000000 0.0000000 0.0135135), wk = 0.0038168 k( 224) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0038168 k( 225) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0038168 k( 226) = ( 0.3333333 0.3333333 0.0135135), wk = 0.0038168 k( 227) = ( 0.3333333 0.3333333 0.0270270), wk = 0.0038168 k( 228) = ( 0.3333333 0.3333333 0.0405405), wk = 0.0038168 k( 229) = ( 0.3333333 0.3333333 0.0540540), wk = 0.0038168 k( 230) = ( 0.3333333 0.3333333 0.0675676), wk = 0.0038168 k( 231) = ( 0.3333333 0.3333333 0.0810811), wk = 0.0038168 k( 232) = ( 0.3333333 0.3333333 0.0945946), wk = 0.0038168 k( 233) = ( 0.3333333 0.3333333 0.1081081), wk = 0.0038168 k( 234) = ( 0.3333333 0.3333333 0.1216216), wk = 0.0038168 k( 235) = ( 0.3333333 0.3333333 0.1351351), wk = 0.0038168 k( 236) = ( 0.3333333 0.3333333 0.1486487), wk = 0.0038168 k( 237) = ( 0.3333333 0.3333333 0.1621622), wk = 0.0038168 k( 238) = ( 0.3333333 0.3333333 0.1756757), wk = 0.0038168 k( 239) = ( 0.3333333 0.3333333 0.1891892), wk = 0.0038168 k( 240) = ( 0.3333333 0.3333333 0.2027027), wk = 0.0038168 k( 241) = ( 0.3333333 0.3333333 0.2162162), wk = 0.0038168 k( 242) = ( 0.3333333 0.3333333 0.2297297), wk = 0.0038168 k( 243) = ( 0.3333333 0.3333333 0.2432432), wk = 0.0038168 k( 244) = ( 0.3333333 0.3333333 0.2567568), wk = 0.0038168 k( 245) = ( 0.3333333 0.3333333 0.2702703), wk = 0.0038168 k( 246) = ( 0.3333333 0.3333333 0.2837838), wk = 0.0038168 k( 247) = ( 0.3333333 0.3333333 0.2972973), wk = 0.0038168 k( 248) = ( 0.3333333 0.3333333 0.3108108), wk = 0.0038168 k( 249) = ( 0.3333333 0.3333333 0.3243243), wk = 0.0038168 k( 250) = ( 0.3333333 0.3333333 0.3378378), wk = 0.0038168 k( 251) = ( 0.3333333 0.3333333 0.3513514), wk = 0.0038168 k( 252) = ( 0.3333333 0.3333333 0.3648649), wk = 0.0038168 k( 253) = ( 0.3333333 0.3333333 0.3783784), wk = 0.0038168 k( 254) = ( 0.3333333 0.3333333 0.3918919), wk = 0.0038168 k( 255) = ( 0.3333333 0.3333333 0.4054054), wk = 0.0038168 k( 256) = ( 0.3333333 0.3333333 0.4189189), wk = 0.0038168 k( 257) = ( 0.3333333 0.3333333 0.4324324), wk = 0.0038168 k( 258) = ( 0.3333333 0.3333333 0.4459460), wk = 0.0038168 k( 259) = ( 0.3333333 0.3333333 0.4594595), wk = 0.0038168 k( 260) = ( 0.3333333 0.3333333 0.4729730), wk = 0.0038168 k( 261) = ( 0.3333333 0.3333333 0.4864865), wk = 0.0038168 k( 262) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0038168 Dense grid: 99127 G-vectors FFT dimensions: ( 72, 72, 45) Smooth grid: 54665 G-vectors FFT dimensions: ( 60, 60, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.43 Mb ( 300, 94) NL pseudopotentials 0.56 Mb ( 150, 246) Each V/rho on FFT grid 0.08 Mb ( 5184) Each G-vector array 0.02 Mb ( 2067) G-vector shells 0.01 Mb ( 982) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.72 Mb ( 300, 376) Each subspace H/S matrix 2.16 Mb ( 376, 376) Each matrix 0.71 Mb ( 246, 2, 94) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./CaAgAs.save/charge-density.dat Starting wfc are 126 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 53.7 secs Computing kpt #: 2 total cpu time spent up to now is 64.5 secs Computing kpt #: 3 total cpu time spent up to now is 74.4 secs Computing kpt #: 4 total cpu time spent up to now is 84.2 secs Computing kpt #: 5 total cpu time spent up to now is 93.4 secs Computing kpt #: 6 total cpu time spent up to now is 102.0 secs Computing kpt #: 7 total cpu time spent up to now is 111.6 secs Computing kpt #: 8 total cpu time spent up to now is 121.1 secs Computing kpt #: 9 total cpu time spent up to now is 131.5 secs Computing kpt #: 10 total cpu time spent up to now is 140.9 secs Computing kpt #: 11 total cpu time spent up to now is 149.3 secs Computing kpt #: 12 total cpu time spent up to now is 157.9 secs Computing kpt #: 13 total cpu time spent up to now is 166.8 secs Computing kpt #: 14 total cpu time spent up to now is 176.7 secs Computing kpt #: 15 total cpu time spent up to now is 185.1 secs Computing kpt #: 16 total cpu time spent up to now is 194.0 secs Computing kpt #: 17 total cpu time spent up to now is 203.4 secs Computing kpt #: 18 total cpu time spent up to now is 213.6 secs Computing kpt #: 19 total cpu time spent up to now is 225.3 secs Computing kpt #: 20 total cpu time spent up to now is 235.1 secs Computing kpt #: 21 total cpu time spent up to now is 243.9 secs Computing kpt #: 22 total cpu time spent up to now is 252.4 secs Computing kpt #: 23 total cpu time spent up to now is 261.2 secs Computing kpt #: 24 total cpu time spent up to now is 270.0 secs Computing kpt #: 25 total cpu time spent up to now is 278.9 secs Computing kpt #: 26 total cpu time spent up to now is 287.7 secs Computing kpt #: 27 total cpu time spent up to now is 296.6 secs Computing kpt #: 28 total cpu time spent up to now is 305.5 secs Computing kpt #: 29 total cpu time spent up to now is 314.8 secs Computing kpt #: 30 total cpu time spent up to now is 323.6 secs Computing kpt #: 31 total cpu time spent up to now is 332.6 secs Computing kpt #: 32 total cpu time spent up to now is 341.6 secs Computing kpt #: 33 total cpu time spent up to now is 350.8 secs Computing kpt #: 34 total cpu time spent up to now is 359.8 secs Computing kpt #: 35 total cpu time spent up to now is 368.7 secs Computing kpt #: 36 total cpu time spent up to now is 377.9 secs Computing kpt #: 37 total cpu time spent up to now is 386.8 secs Computing kpt #: 38 total cpu time spent up to now is 395.9 secs Computing kpt #: 39 total cpu time spent up to now is 404.9 secs Computing kpt #: 40 total cpu time spent up to now is 413.9 secs Computing kpt #: 41 total cpu time spent up to now is 423.5 secs Computing kpt #: 42 total cpu time spent up to now is 436.6 secs Computing kpt #: 43 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 451.3 secs Computing kpt #: 44 total cpu time spent up to now is 463.8 secs Computing kpt #: 45 total cpu time spent up to now is 475.3 secs Computing kpt #: 46 total cpu time spent up to now is 484.7 secs Computing kpt #: 47 total cpu time spent up to now is 494.1 secs Computing kpt #: 48 total cpu time spent up to now is 503.1 secs Computing kpt #: 49 total cpu time spent up to now is 512.7 secs Computing kpt #: 50 total cpu time spent up to now is 522.3 secs Computing kpt #: 51 total cpu time spent up to now is 531.8 secs Computing kpt #: 52 total cpu time spent up to now is 541.3 secs Computing kpt #: 53 total cpu time spent up to now is 550.8 secs Computing kpt #: 54 total cpu time spent up to now is 560.8 secs Computing kpt #: 55 total cpu time spent up to now is 569.6 secs Computing kpt #: 56 total cpu time spent up to now is 579.0 secs Computing kpt #: 57 total cpu time spent up to now is 587.9 secs Computing kpt #: 58 total cpu time spent up to now is 596.5 secs Computing kpt #: 59 total cpu time spent up to now is 605.0 secs Computing kpt #: 60 total cpu time spent up to now is 613.5 secs Computing kpt #: 61 total cpu time spent up to now is 622.0 secs Computing kpt #: 62 total cpu time spent up to now is 630.4 secs Computing kpt #: 63 total cpu time spent up to now is 638.9 secs Computing kpt #: 64 total cpu time spent up to now is 647.2 secs Computing kpt #: 65 total cpu time spent up to now is 656.7 secs Computing kpt #: 66 total cpu time spent up to now is 666.8 secs Computing kpt #: 67 total cpu time spent up to now is 676.3 secs Computing kpt #: 68 total cpu time spent up to now is 686.5 secs Computing kpt #: 69 total cpu time spent up to now is 695.4 secs Computing kpt #: 70 total cpu time spent up to now is 704.0 secs Computing kpt #: 71 total cpu time spent up to now is 713.3 secs Computing kpt #: 72 total cpu time spent up to now is 723.2 secs Computing kpt #: 73 total cpu time spent up to now is 733.6 secs Computing kpt #: 74 total cpu time spent up to now is 744.3 secs Computing kpt #: 75 total cpu time spent up to now is 754.9 secs Computing kpt #: 76 total cpu time spent up to now is 767.8 secs Computing kpt #: 77 total cpu time spent up to now is 779.0 secs Computing kpt #: 78 total cpu time spent up to now is 789.6 secs Computing kpt #: 79 total cpu time spent up to now is 799.4 secs Computing kpt #: 80 total cpu time spent up to now is 808.9 secs Computing kpt #: 81 total cpu time spent up to now is 818.0 secs Computing kpt #: 82 total cpu time spent up to now is 827.7 secs Computing kpt #: 83 total cpu time spent up to now is 837.2 secs Computing kpt #: 84 total cpu time spent up to now is 846.6 secs Computing kpt #: 85 total cpu time spent up to now is 855.9 secs Computing kpt #: 86 total cpu time spent up to now is 865.0 secs Computing kpt #: 87 total cpu time spent up to now is 873.9 secs Computing kpt #: 88 total cpu time spent up to now is 883.6 secs Computing kpt #: 89 total cpu time spent up to now is 892.3 secs Computing kpt #: 90 total cpu time spent up to now is 901.4 secs Computing kpt #: 91 total cpu time spent up to now is 909.9 secs Computing kpt #: 92 total cpu time spent up to now is 918.9 secs Computing kpt #: 93 total cpu time spent up to now is 927.8 secs Computing kpt #: 94 total cpu time spent up to now is 936.1 secs Computing kpt #: 95 total cpu time spent up to now is 944.8 secs Computing kpt #: 96 total cpu time spent up to now is 953.6 secs Computing kpt #: 97 total cpu time spent up to now is 962.1 secs Computing kpt #: 98 total cpu time spent up to now is 970.5 secs Computing kpt #: 99 total cpu time spent up to now is 978.9 secs Computing kpt #: 100 total cpu time spent up to now is 987.2 secs Computing kpt #: 101 total cpu time spent up to now is 995.8 secs Computing kpt #: 102 total cpu time spent up to now is 1004.5 secs Computing kpt #: 103 total cpu time spent up to now is 1013.5 secs Computing kpt #: 104 total cpu time spent up to now is 1022.8 secs Computing kpt #: 105 total cpu time spent up to now is 1031.6 secs Computing kpt #: 106 total cpu time spent up to now is 1040.4 secs Computing kpt #: 107 total cpu time spent up to now is 1049.5 secs Computing kpt #: 108 total cpu time spent up to now is 1058.4 secs Computing kpt #: 109 total cpu time spent up to now is 1067.8 secs Computing kpt #: 110 total cpu time spent up to now is 1077.4 secs Computing kpt #: 111 total cpu time spent up to now is 1085.7 secs Computing kpt #: 112 total cpu time spent up to now is 1093.9 secs Computing kpt #: 113 total cpu time spent up to now is 1102.2 secs Computing kpt #: 114 total cpu time spent up to now is 1110.7 secs Computing kpt #: 115 total cpu time spent up to now is 1119.3 secs Computing kpt #: 116 total cpu time spent up to now is 1127.8 secs Computing kpt #: 117 total cpu time spent up to now is 1136.3 secs Computing kpt #: 118 total cpu time spent up to now is 1144.9 secs Computing kpt #: 119 total cpu time spent up to now is 1153.7 secs Computing kpt #: 120 total cpu time spent up to now is 1162.6 secs Computing kpt #: 121 total cpu time spent up to now is 1171.6 secs Computing kpt #: 122 total cpu time spent up to now is 1181.0 secs Computing kpt #: 123 total cpu time spent up to now is 1190.3 secs Computing kpt #: 124 total cpu time spent up to now is 1200.1 secs Computing kpt #: 125 total cpu time spent up to now is 1209.7 secs Computing kpt #: 126 total cpu time spent up to now is 1219.8 secs Computing kpt #: 127 total cpu time spent up to now is 1230.8 secs Computing kpt #: 128 total cpu time spent up to now is 1239.7 secs Computing kpt #: 129 total cpu time spent up to now is 1248.7 secs Computing kpt #: 130 total cpu time spent up to now is 1257.9 secs Computing kpt #: 131 total cpu time spent up to now is 1266.9 secs Computing kpt #: 132 total cpu time spent up to now is 1276.0 secs Computing kpt #: 133 total cpu time spent up to now is 1285.3 secs Computing kpt #: 134 total cpu time spent up to now is 1294.2 secs Computing kpt #: 135 total cpu time spent up to now is 1302.9 secs Computing kpt #: 136 total cpu time spent up to now is 1311.6 secs Computing kpt #: 137 total cpu time spent up to now is 1320.1 secs Computing kpt #: 138 total cpu time spent up to now is 1328.7 secs Computing kpt #: 139 total cpu time spent up to now is 1337.5 secs Computing kpt #: 140 total cpu time spent up to now is 1346.1 secs Computing kpt #: 141 total cpu time spent up to now is 1354.5 secs Computing kpt #: 142 total cpu time spent up to now is 1363.1 secs Computing kpt #: 143 total cpu time spent up to now is 1372.3 secs Computing kpt #: 144 total cpu time spent up to now is 1380.9 secs Computing kpt #: 145 total cpu time spent up to now is 1389.5 secs Computing kpt #: 146 total cpu time spent up to now is 1397.9 secs Computing kpt #: 147 total cpu time spent up to now is 1406.4 secs Computing kpt #: 148 total cpu time spent up to now is 1415.5 secs Computing kpt #: 149 total cpu time spent up to now is 1424.1 secs Computing kpt #: 150 total cpu time spent up to now is 1433.4 secs Computing kpt #: 151 total cpu time spent up to now is 1443.1 secs Computing kpt #: 152 total cpu time spent up to now is 1452.4 secs Computing kpt #: 153 total cpu time spent up to now is 1461.9 secs Computing kpt #: 154 total cpu time spent up to now is 1471.2 secs Computing kpt #: 155 total cpu time spent up to now is 1480.0 secs Computing kpt #: 156 total cpu time spent up to now is 1488.6 secs Computing kpt #: 157 total cpu time spent up to now is 1498.3 secs Computing kpt #: 158 total cpu time spent up to now is 1507.6 secs Computing kpt #: 159 total cpu time spent up to now is 1517.2 secs Computing kpt #: 160 total cpu time spent up to now is 1526.5 secs Computing kpt #: 161 total cpu time spent up to now is 1536.1 secs Computing kpt #: 162 total cpu time spent up to now is 1546.2 secs Computing kpt #: 163 total cpu time spent up to now is 1555.9 secs Computing kpt #: 164 total cpu time spent up to now is 1565.9 secs Computing kpt #: 165 total cpu time spent up to now is 1575.0 secs Computing kpt #: 166 total cpu time spent up to now is 1584.9 secs Computing kpt #: 167 total cpu time spent up to now is 1595.7 secs Computing kpt #: 168 total cpu time spent up to now is 1609.4 secs Computing kpt #: 169 total cpu time spent up to now is 1619.4 secs Computing kpt #: 170 total cpu time spent up to now is 1629.0 secs Computing kpt #: 171 total cpu time spent up to now is 1639.9 secs Computing kpt #: 172 total cpu time spent up to now is 1649.7 secs Computing kpt #: 173 total cpu time spent up to now is 1659.1 secs Computing kpt #: 174 total cpu time spent up to now is 1670.2 secs Computing kpt #: 175 total cpu time spent up to now is 1679.5 secs Computing kpt #: 176 total cpu time spent up to now is 1688.9 secs Computing kpt #: 177 total cpu time spent up to now is 1698.0 secs Computing kpt #: 178 total cpu time spent up to now is 1706.9 secs Computing kpt #: 179 total cpu time spent up to now is 1715.6 secs Computing kpt #: 180 total cpu time spent up to now is 1724.3 secs Computing kpt #: 181 total cpu time spent up to now is 1732.7 secs Computing kpt #: 182 total cpu time spent up to now is 1741.4 secs Computing kpt #: 183 total cpu time spent up to now is 1749.7 secs Computing kpt #: 184 total cpu time spent up to now is 1758.2 secs Computing kpt #: 185 total cpu time spent up to now is 1766.5 secs Computing kpt #: 186 total cpu time spent up to now is 1774.8 secs Computing kpt #: 187 total cpu time spent up to now is 1783.6 secs Computing kpt #: 188 total cpu time spent up to now is 1792.3 secs Computing kpt #: 189 total cpu time spent up to now is 1800.9 secs Computing kpt #: 190 total cpu time spent up to now is 1809.7 secs Computing kpt #: 191 total cpu time spent up to now is 1818.3 secs Computing kpt #: 192 total cpu time spent up to now is 1827.2 secs Computing kpt #: 193 total cpu time spent up to now is 1836.2 secs Computing kpt #: 194 total cpu time spent up to now is 1845.2 secs Computing kpt #: 195 total cpu time spent up to now is 1854.2 secs Computing kpt #: 196 total cpu time spent up to now is 1863.2 secs Computing kpt #: 197 total cpu time spent up to now is 1872.6 secs Computing kpt #: 198 total cpu time spent up to now is 1881.8 secs Computing kpt #: 199 total cpu time spent up to now is 1891.1 secs Computing kpt #: 200 total cpu time spent up to now is 1900.1 secs Computing kpt #: 201 total cpu time spent up to now is 1909.3 secs Computing kpt #: 202 total cpu time spent up to now is 1918.4 secs Computing kpt #: 203 total cpu time spent up to now is 1927.5 secs Computing kpt #: 204 total cpu time spent up to now is 1937.1 secs Computing kpt #: 205 total cpu time spent up to now is 1946.0 secs Computing kpt #: 206 total cpu time spent up to now is 1955.5 secs Computing kpt #: 207 total cpu time spent up to now is 1965.9 secs Computing kpt #: 208 total cpu time spent up to now is 1977.3 secs Computing kpt #: 209 total cpu time spent up to now is 1988.5 secs Computing kpt #: 210 total cpu time spent up to now is 2000.9 secs Computing kpt #: 211 total cpu time spent up to now is 2013.2 secs Computing kpt #: 212 total cpu time spent up to now is 2022.2 secs Computing kpt #: 213 total cpu time spent up to now is 2030.6 secs Computing kpt #: 214 total cpu time spent up to now is 2039.2 secs Computing kpt #: 215 total cpu time spent up to now is 2047.7 secs Computing kpt #: 216 total cpu time spent up to now is 2056.2 secs Computing kpt #: 217 total cpu time spent up to now is 2064.9 secs Computing kpt #: 218 total cpu time spent up to now is 2073.5 secs Computing kpt #: 219 total cpu time spent up to now is 2082.4 secs Computing kpt #: 220 total cpu time spent up to now is 2091.0 secs Computing kpt #: 221 total cpu time spent up to now is 2099.8 secs Computing kpt #: 222 total cpu time spent up to now is 2108.9 secs Computing kpt #: 223 total cpu time spent up to now is 2118.1 secs Computing kpt #: 224 total cpu time spent up to now is 2127.1 secs Computing kpt #: 225 total cpu time spent up to now is 2139.7 secs Computing kpt #: 226 total cpu time spent up to now is 2153.7 secs Computing kpt #: 227 total cpu time spent up to now is 2164.9 secs Computing kpt #: 228 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2180.1 secs Computing kpt #: 229 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2195.2 secs Computing kpt #: 230 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2210.4 secs Computing kpt #: 231 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2225.7 secs Computing kpt #: 232 total cpu time spent up to now is 2238.1 secs Computing kpt #: 233 total cpu time spent up to now is 2250.6 secs Computing kpt #: 234 total cpu time spent up to now is 2261.8 secs Computing kpt #: 235 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2279.4 secs Computing kpt #: 236 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2295.1 secs Computing kpt #: 237 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2310.9 secs Computing kpt #: 238 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2326.8 secs Computing kpt #: 239 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2342.9 secs Computing kpt #: 240 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2358.5 secs Computing kpt #: 241 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2373.9 secs Computing kpt #: 242 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2389.6 secs Computing kpt #: 243 total cpu time spent up to now is 2400.9 secs Computing kpt #: 244 total cpu time spent up to now is 2412.2 secs Computing kpt #: 245 total cpu time spent up to now is 2425.0 secs Computing kpt #: 246 total cpu time spent up to now is 2438.3 secs Computing kpt #: 247 total cpu time spent up to now is 2450.4 secs Computing kpt #: 248 total cpu time spent up to now is 2462.4 secs Computing kpt #: 249 total cpu time spent up to now is 2474.7 secs Computing kpt #: 250 total cpu time spent up to now is 2485.0 secs Computing kpt #: 251 total cpu time spent up to now is 2496.4 secs Computing kpt #: 252 total cpu time spent up to now is 2506.1 secs Computing kpt #: 253 total cpu time spent up to now is 2515.4 secs Computing kpt #: 254 total cpu time spent up to now is 2525.1 secs Computing kpt #: 255 total cpu time spent up to now is 2535.1 secs Computing kpt #: 256 total cpu time spent up to now is 2544.6 secs Computing kpt #: 257 total cpu time spent up to now is 2554.2 secs Computing kpt #: 258 total cpu time spent up to now is 2564.1 secs Computing kpt #: 259 total cpu time spent up to now is 2576.1 secs Computing kpt #: 260 total cpu time spent up to now is 2585.7 secs Computing kpt #: 261 total cpu time spent up to now is 2595.7 secs Computing kpt #: 262 total cpu time spent up to now is 2604.7 secs ethr = 1.28E-11, avg # of iterations = 49.3 total cpu time spent up to now is 2604.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6815 PWs) bands (ev): -31.3979 -31.3979 -31.3847 -31.3847 -31.3847 -31.3847 -12.7162 -12.7162 -12.7065 -12.7065 -12.6569 -12.6569 -12.3675 -12.3675 -12.3585 -12.3585 -12.3059 -12.3059 -12.2896 -12.2896 -12.2774 -12.2774 -12.2522 -12.2522 -1.8199 -1.8199 -1.1149 -1.1149 -0.7330 -0.7330 3.8081 3.8081 4.0038 4.0038 4.1579 4.1579 4.2756 4.2756 4.3109 4.3109 4.4022 4.4022 4.6743 4.6743 4.6967 4.6967 4.7722 4.7722 4.9514 4.9514 5.0258 5.0258 5.0282 5.0282 5.1796 5.1796 5.1965 5.1965 5.5483 5.5483 5.6074 5.6074 5.8961 5.8961 6.4699 6.4699 6.4983 6.4983 8.0067 8.0067 8.2236 8.2236 9.0572 9.0572 9.2404 9.2404 9.3511 9.3511 10.0336 10.0336 10.5775 10.5775 11.4087 11.4087 11.4511 11.4511 11.7303 11.7303 11.7367 11.7367 12.5725 12.5725 13.0654 13.0654 k = 0.0192 0.0111-0.0000 ( 6815 PWs) bands (ev): -31.3979 -31.3979 -31.3847 -31.3847 -31.3847 -31.3847 -12.7161 -12.7161 -12.7065 -12.7065 -12.6570 -12.6570 -12.3674 -12.3674 -12.3584 -12.3584 -12.3059 -12.3059 -12.2896 -12.2896 -12.2774 -12.2774 -12.2522 -12.2522 -1.8191 -1.8191 -1.1151 -1.1151 -0.7336 -0.7336 3.8083 3.8083 4.0040 4.0040 4.1582 4.1582 4.2751 4.2751 4.3107 4.3108 4.4021 4.4021 4.6700 4.6707 4.6981 4.6990 4.7716 4.7718 4.9496 4.9498 5.0218 5.0219 5.0322 5.0323 5.1766 5.1772 5.1977 5.1983 5.5472 5.5482 5.6056 5.6073 5.8948 5.8957 6.4757 6.4776 6.5047 6.5063 8.0075 8.0075 8.2234 8.2234 9.0184 9.0188 9.2581 9.2594 9.3697 9.3706 10.0291 10.0291 10.5782 10.5782 11.4079 11.4080 11.4503 11.4504 11.7337 11.7338 11.7410 11.7411 12.5763 12.5763 13.0266 13.0272 k = 0.0385 0.0222-0.0000 ( 6813 PWs) bands (ev): -31.3978 -31.3978 -31.3848 -31.3848 -31.3847 -31.3847 -12.7160 -12.7160 -12.7064 -12.7064 -12.6571 -12.6571 -12.3673 -12.3673 -12.3583 -12.3583 -12.3059 -12.3059 -12.2897 -12.2897 -12.2775 -12.2775 -12.2525 -12.2525 -1.8168 -1.8168 -1.1157 -1.1157 -0.7354 -0.7354 3.8087 3.8087 4.0046 4.0047 4.1589 4.1589 4.2736 4.2736 4.3103 4.3105 4.4016 4.4017 4.6593 4.6630 4.6991 4.7039 4.7697 4.7709 4.9442 4.9451 5.0169 5.0176 5.0371 5.0375 5.1691 5.1720 5.1993 5.2027 5.5415 5.5491 5.5979 5.6102 5.8899 5.8963 6.4902 6.5022 6.5217 6.5320 8.0097 8.0097 8.2229 8.2229 8.9386 8.9402 9.2718 9.2769 9.4284 9.4319 10.0160 10.0160 10.5805 10.5805 11.4046 11.4054 11.4483 11.4491 11.7410 11.7414 11.7569 11.7572 12.5874 12.5877 12.9680 12.9698 k = 0.0577 0.0333-0.0000 ( 6809 PWs) bands (ev): -31.3978 -31.3978 -31.3848 -31.3848 -31.3847 -31.3847 -12.7158 -12.7158 -12.7063 -12.7063 -12.6573 -12.6573 -12.3671 -12.3671 -12.3582 -12.3581 -12.3059 -12.3059 -12.2898 -12.2898 -12.2775 -12.2775 -12.2528 -12.2528 -1.8130 -1.8130 -1.1166 -1.1166 -0.7384 -0.7384 3.8094 3.8094 4.0054 4.0057 4.1602 4.1602 4.2709 4.2709 4.3094 4.3101 4.4009 4.4011 4.6447 4.6535 4.6963 4.7090 4.7665 4.7705 4.9351 4.9381 5.0121 5.0140 5.0418 5.0425 5.1597 5.1659 5.2001 5.2081 5.5304 5.5516 5.5832 5.6179 5.8816 5.8997 6.5125 6.5439 6.5472 6.5739 8.0133 8.0133 8.2220 8.2220 8.8474 8.8504 9.2708 9.2795 9.5109 9.5166 9.9947 9.9949 10.5841 10.5842 11.3972 11.3992 11.4471 11.4493 11.7516 11.7522 11.7844 11.7849 12.6054 12.6063 12.9063 12.9096 k = 0.0769 0.0444-0.0000 ( 6803 PWs) bands (ev): -31.3977 -31.3977 -31.3849 -31.3849 -31.3847 -31.3847 -12.7156 -12.7155 -12.7062 -12.7061 -12.6575 -12.6575 -12.3668 -12.3668 -12.3579 -12.3578 -12.3059 -12.3058 -12.2900 -12.2900 -12.2776 -12.2775 -12.2533 -12.2533 -1.8076 -1.8076 -1.1180 -1.1180 -0.7427 -0.7427 3.8103 3.8104 4.0062 4.0069 4.1621 4.1622 4.2672 4.2673 4.3080 4.3096 4.3998 4.4003 4.6272 4.6430 4.6885 4.7133 4.7619 4.7710 4.9227 4.9292 5.0076 5.0113 5.0462 5.0471 5.1499 5.1595 5.2003 5.2138 5.5159 5.5550 5.5626 5.6279 5.8720 5.9064 6.5435 6.5799 6.6008 6.6286 8.0183 8.0184 8.2209 8.2209 8.7527 8.7574 9.2627 9.2746 9.6013 9.6087 9.9665 9.9670 10.5891 10.5894 11.3844 11.3879 11.4485 11.4524 11.7660 11.7667 11.8221 11.8226 12.6292 12.6320 12.8439 12.8495 k = 0.0962 0.0555-0.0000 ( 6799 PWs) bands (ev): -31.3976 -31.3976 -31.3850 -31.3850 -31.3847 -31.3847 -12.7153 -12.7152 -12.7060 -12.7059 -12.6579 -12.6579 -12.3665 -12.3664 -12.3576 -12.3574 -12.3059 -12.3058 -12.2903 -12.2903 -12.2777 -12.2776 -12.2540 -12.2539 -1.8007 -1.8007 -1.1198 -1.1197 -0.7481 -0.7481 3.8115 3.8116 4.0068 4.0082 4.1647 4.1649 4.2625 4.2625 4.3060 4.3090 4.3985 4.3994 4.6074 4.6313 4.6761 4.7165 4.7563 4.7727 4.9082 4.9192 5.0034 5.0094 5.0504 5.0514 5.1407 5.1531 5.2004 5.2197 5.4999 5.5379 5.5589 5.6361 5.8650 5.9161 6.5830 6.6188 6.6700 6.6935 8.0247 8.0248 8.2195 8.2196 8.6572 8.6636 9.2503 9.2653 9.6931 9.7014 9.9330 9.9344 10.5954 10.5959 11.3668 11.3713 11.4532 11.4582 11.7843 11.7852 11.8688 11.8694 12.6564 12.6641 12.7818 12.7925 k = 0.1154 0.0666-0.0000 ( 6799 PWs) bands (ev): -31.3975 -31.3975 -31.3851 -31.3851 -31.3847 -31.3847 -12.7150 -12.7148 -12.7057 -12.7056 -12.6583 -12.6583 -12.3661 -12.3660 -12.3572 -12.3569 -12.3059 -12.3057 -12.2906 -12.2906 -12.2779 -12.2776 -12.2548 -12.2546 -1.7924 -1.7924 -1.1219 -1.1219 -0.7546 -0.7546 3.8128 3.8130 4.0069 4.0093 4.1682 4.1683 4.2567 4.2569 4.3033 4.3082 4.3970 4.3986 4.5857 4.6173 4.6607 4.7182 4.7499 4.7751 4.8925 4.9084 4.9997 5.0081 5.0544 5.0552 5.1323 5.1469 5.2008 5.2258 5.4836 5.5111 5.5621 5.6387 5.8645 5.9287 6.6301 6.6632 6.7491 6.7670 8.0324 8.0326 8.2179 8.2181 8.5621 8.5703 9.2345 9.2525 9.7797 9.7859 9.8996 9.9048 10.6027 10.6035 11.3452 11.3502 11.4606 11.4664 11.8065 11.8075 11.9234 11.9239 12.6736 12.7004 12.7224 12.7520 k = 0.1346 0.0777-0.0000 ( 6805 PWs) bands (ev): -31.3974 -31.3974 -31.3852 -31.3852 -31.3847 -31.3847 -12.7146 -12.7144 -12.7055 -12.7052 -12.6588 -12.6587 -12.3658 -12.3655 -12.3568 -12.3563 -12.3059 -12.3057 -12.2910 -12.2909 -12.2781 -12.2777 -12.2557 -12.2553 -1.7827 -1.7827 -1.1244 -1.1243 -0.7622 -0.7622 3.8143 3.8147 4.0065 4.0101 4.1721 4.1723 4.2498 4.2507 4.2999 4.3073 4.3953 4.3979 4.5627 4.5989 4.6457 4.7182 4.7434 4.7778 4.8769 4.8976 4.9967 5.0073 5.0584 5.0585 5.1249 5.1409 5.2019 5.2319 5.4676 5.4833 5.5642 5.6331 5.8734 5.9440 6.6835 6.7125 6.8360 6.8474 8.0414 8.0416 8.2162 8.2164 8.4680 8.4783 9.2156 9.2364 9.8148 9.8181 9.9090 9.9254 10.6109 10.6123 11.3203 11.3255 11.4704 11.4764 11.8324 11.8336 11.9846 11.9852 12.6446 12.6592 12.7474 12.7642 k = 0.1538 0.0888-0.0000 ( 6813 PWs) bands (ev): -31.3972 -31.3972 -31.3854 -31.3854 -31.3848 -31.3847 -12.7142 -12.7139 -12.7051 -12.7048 -12.6594 -12.6593 -12.3654 -12.3650 -12.3563 -12.3555 -12.3059 -12.3056 -12.2914 -12.2914 -12.2784 -12.2778 -12.2568 -12.2562 -1.7717 -1.7717 -1.1272 -1.1272 -0.7708 -0.7708 3.8160 3.8164 4.0052 4.0104 4.1758 4.1767 4.2420 4.2446 4.2957 4.3059 4.3934 4.3975 4.5392 4.5746 4.6338 4.7160 4.7374 4.7805 4.8622 4.8870 4.9943 5.0067 5.0615 5.0624 5.1184 5.1351 5.2036 5.2381 5.4521 5.4557 5.5647 5.6196 5.8917 5.9623 6.7423 6.7659 6.9289 6.9337 8.0514 8.0518 8.2144 8.2147 8.3757 8.3882 9.1936 9.2171 9.7796 9.7830 9.9865 10.0050 10.6195 10.6217 11.2930 11.2981 11.4820 11.4878 11.8621 11.8634 12.0516 12.0521 12.5935 12.6015 12.7958 12.8052 k = 0.1731 0.0999-0.0000 ( 6805 PWs) bands (ev): -31.3970 -31.3970 -31.3856 -31.3856 -31.3848 -31.3848 -12.7138 -12.7134 -12.7047 -12.7042 -12.6600 -12.6599 -12.3650 -12.3644 -12.3557 -12.3546 -12.3059 -12.3056 -12.2919 -12.2918 -12.2787 -12.2778 -12.2579 -12.2571 -1.7594 -1.7594 -1.1304 -1.1303 -0.7805 -0.7804 3.8177 3.8183 4.0033 4.0101 4.1779 4.1810 4.2335 4.2397 4.2908 4.3041 4.3915 4.3977 4.5165 4.5457 4.6254 4.7115 4.7325 4.7830 4.8488 4.8772 4.9929 5.0063 5.0642 5.0664 5.1125 5.1294 5.2060 5.2443 5.4285 5.4372 5.5633 5.6002 5.9175 5.9837 6.8053 6.8231 7.0244 7.0265 8.0622 8.0629 8.2124 8.2124 8.2863 8.3012 9.1687 9.1948 9.7316 9.7346 10.0725 10.0921 10.6283 10.6316 11.2639 11.2687 11.4949 11.5000 11.8953 11.8967 12.1232 12.1237 12.5407 12.5464 12.8225 12.8336 k = 0.1923 0.1110-0.0000 ( 6813 PWs) bands (ev): -31.3968 -31.3968 -31.3857 -31.3857 -31.3848 -31.3848 -12.7134 -12.7129 -12.7043 -12.7036 -12.6607 -12.6606 -12.3645 -12.3638 -12.3550 -12.3536 -12.3060 -12.3055 -12.2924 -12.2923 -12.2791 -12.2779 -12.2591 -12.2581 -1.7459 -1.7459 -1.1340 -1.1339 -0.7909 -0.7909 3.8195 3.8203 4.0005 4.0093 4.1767 4.1840 4.2248 4.2377 4.2849 4.3015 4.3892 4.3986 4.4958 4.5142 4.6196 4.7054 4.7287 4.7849 4.8370 4.8682 4.9923 5.0059 5.0666 5.0704 5.1073 5.1236 5.2090 5.2504 5.4021 5.4228 5.5601 5.5772 5.9487 6.0081 6.8716 6.8835 7.1182 7.1273 8.0732 8.0745 8.1900 8.2020 8.2206 8.2263 9.1407 9.1694 9.6796 9.6824 10.1571 10.1781 10.6363 10.6412 11.2340 11.2383 11.5085 11.5124 11.9319 11.9334 12.1987 12.1992 12.4905 12.4949 12.7557 12.7664 k = 0.2115 0.1221-0.0000 ( 6811 PWs) bands (ev): -31.3966 -31.3966 -31.3859 -31.3859 -31.3848 -31.3848 -12.7130 -12.7123 -12.7037 -12.7029 -12.6615 -12.6613 -12.3641 -12.3632 -12.3541 -12.3524 -12.3062 -12.3055 -12.2929 -12.2928 -12.2795 -12.2781 -12.2604 -12.2590 -1.7314 -1.7314 -1.1379 -1.1378 -0.8022 -0.8021 3.8213 3.8223 3.9973 4.0080 4.1709 4.1839 4.2171 4.2392 4.2784 4.2979 4.3864 4.4006 4.4789 4.4823 4.6159 4.6988 4.7254 4.7860 4.8271 4.8602 4.9924 5.0053 5.0687 5.0740 5.1029 5.1180 5.2125 5.2563 5.3766 5.4089 5.5523 5.5553 5.9837 6.0355 6.9406 6.9466 7.2134 7.2301 8.0798 8.0848 8.1152 8.1344 8.2154 8.2161 9.1098 9.1409 9.6257 9.6284 10.2388 10.2607 10.6428 10.6497 11.2041 11.2080 11.5218 11.5240 11.9717 11.9734 12.2771 12.2776 12.4447 12.4480 12.6882 12.6982 k = 0.2308 0.1332-0.0000 ( 6817 PWs) bands (ev): -31.3964 -31.3964 -31.3862 -31.3862 -31.3848 -31.3848 -12.7126 -12.7118 -12.7031 -12.7021 -12.6623 -12.6621 -12.3638 -12.3626 -12.3533 -12.3511 -12.3065 -12.3055 -12.2934 -12.2934 -12.2799 -12.2782 -12.2617 -12.2600 -1.7158 -1.7158 -1.1421 -1.1420 -0.8142 -0.8141 3.8231 3.8242 3.9936 4.0063 4.1613 4.1790 4.2112 4.2422 4.2718 4.2933 4.3824 4.4038 4.4516 4.4675 4.6137 4.6926 4.7220 4.7857 4.8197 4.8530 4.9933 5.0046 5.0703 5.0763 5.0997 5.1124 5.2163 5.2618 5.3521 5.3954 5.5268 5.5490 6.0213 6.0655 7.0113 7.0118 7.3077 7.3330 8.0250 8.0543 8.1018 8.1033 8.2162 8.2174 9.0758 9.1093 9.5710 9.5736 10.3165 10.3390 10.6463 10.6561 11.1755 11.1792 11.5337 11.5338 12.0147 12.0165 12.3569 12.3570 12.4061 12.4077 12.6218 12.6311 k = 0.2500 0.1443-0.0000 ( 6819 PWs) bands (ev): -31.3962 -31.3962 -31.3864 -31.3864 -31.3848 -31.3848 -12.7123 -12.7113 -12.7024 -12.7012 -12.6633 -12.6630 -12.3634 -12.3621 -12.3522 -12.3496 -12.3069 -12.3055 -12.2940 -12.2939 -12.2804 -12.2784 -12.2630 -12.2610 -1.6995 -1.6994 -1.1467 -1.1465 -0.8267 -0.8265 3.8248 3.8261 3.9897 4.0044 4.1490 4.1695 4.2062 4.2421 4.2679 4.2879 4.3772 4.4074 4.4249 4.4628 4.6130 4.6874 4.7186 4.7835 4.8149 4.8466 4.9946 5.0038 5.0711 5.0764 5.0990 5.1074 5.2203 5.2668 5.3286 5.3823 5.5017 5.5417 6.0609 6.0980 7.0783 7.0831 7.3972 7.4335 7.9525 7.9914 8.1113 8.1127 8.2198 8.2213 9.0390 9.0747 9.5159 9.5185 10.3899 10.4120 10.6454 10.6590 11.1500 11.1535 11.5405 11.5429 12.0604 12.0624 12.3694 12.3703 12.4422 12.4434 12.5582 12.5670 k = 0.2692 0.1554-0.0000 ( 6815 PWs) bands (ev): -31.3959 -31.3959 -31.3866 -31.3866 -31.3848 -31.3848 -12.7119 -12.7108 -12.7016 -12.7002 -12.6642 -12.6639 -12.3630 -12.3616 -12.3511 -12.3480 -12.3074 -12.3056 -12.2946 -12.2944 -12.2809 -12.2786 -12.2643 -12.2619 -1.6824 -1.6823 -1.1516 -1.1514 -0.8395 -0.8394 3.8264 3.8278 3.9859 4.0025 4.1353 4.1571 4.1998 4.2345 4.2694 4.2825 4.3711 4.3951 4.4196 4.4644 4.6134 4.6835 4.7152 4.7797 4.8128 4.8410 4.9964 5.0026 5.0704 5.0736 5.1008 5.1033 5.2244 5.2711 5.3063 5.3696 5.4777 5.5335 6.1020 6.1327 7.1450 7.1546 7.4751 7.5257 7.8916 7.9433 8.1203 8.1219 8.2264 8.2281 8.9993 9.0373 9.4612 9.4636 10.4583 10.4783 10.6383 10.6574 11.1294 11.1327 11.5429 11.5481 12.1088 12.1110 12.3441 12.3459 12.4987 12.5078 12.5251 12.5266 k = 0.2885 0.1665-0.0000 ( 6824 PWs) bands (ev): -31.3957 -31.3957 -31.3869 -31.3869 -31.3848 -31.3848 -12.7116 -12.7105 -12.7007 -12.6992 -12.6653 -12.6649 -12.3627 -12.3612 -12.3498 -12.3463 -12.3081 -12.3058 -12.2951 -12.2948 -12.2815 -12.2788 -12.2656 -12.2629 -1.6647 -1.6647 -1.1569 -1.1567 -0.8526 -0.8524 3.8279 3.8293 3.9822 4.0006 4.1207 4.1433 4.1905 4.2212 4.2735 4.2778 4.3650 4.3751 4.4284 4.4709 4.6149 4.6813 4.7117 4.7750 4.8124 4.8359 4.9983 5.0009 5.0677 5.0691 5.1008 5.1041 5.2284 5.2742 5.2853 5.3570 5.4557 5.5248 6.1442 6.1693 7.2102 7.2240 7.5298 7.5941 7.8591 7.9235 8.1274 8.1292 8.2365 8.2383 8.9568 8.9970 9.4072 9.4095 10.5208 10.5345 10.6241 10.6523 11.1153 11.1184 11.5399 11.5479 12.1595 12.1619 12.3254 12.3312 12.4456 12.4555 12.6086 12.6101 k = 0.3077 0.1776-0.0000 ( 6822 PWs) bands (ev): -31.3954 -31.3954 -31.3871 -31.3871 -31.3848 -31.3848 -12.7113 -12.7101 -12.6996 -12.6981 -12.6663 -12.6659 -12.3624 -12.3608 -12.3484 -12.3445 -12.3090 -12.3062 -12.2954 -12.2950 -12.2820 -12.2792 -12.2667 -12.2637 -1.6467 -1.6467 -1.1625 -1.1623 -0.8656 -0.8654 3.8292 3.8306 3.9789 3.9989 4.1059 4.1289 4.1786 4.2050 4.2742 4.2774 4.3587 4.3593 4.4401 4.4807 4.6171 4.6808 4.7086 4.7704 4.8129 4.8314 4.9987 5.0000 5.0630 5.0639 5.1000 5.1080 5.2322 5.2659 5.2757 5.3444 5.4367 5.5156 6.1872 6.2074 7.2702 7.2870 7.5527 7.6150 7.8812 7.9440 8.1325 8.1344 8.2502 8.2518 8.9117 8.9542 9.3545 9.3566 10.5678 10.5697 10.6097 10.6553 11.1087 11.1114 11.5311 11.5418 12.2122 12.2150 12.3130 12.3252 12.4001 12.4131 12.6918 12.6936 k = 0.3269 0.1887-0.0000 ( 6832 PWs) bands (ev): -31.3952 -31.3952 -31.3874 -31.3874 -31.3848 -31.3848 -12.7110 -12.7099 -12.6986 -12.6969 -12.6675 -12.6670 -12.3621 -12.3605 -12.3469 -12.3427 -12.3100 -12.3067 -12.2957 -12.2951 -12.2826 -12.2797 -12.2677 -12.2646 -1.6286 -1.6286 -1.1685 -1.1683 -0.8784 -0.8782 3.8303 3.8316 3.9762 3.9975 4.0911 4.1143 4.1650 4.1871 4.2716 4.2800 4.3461 4.3542 4.4537 4.4924 4.6201 4.6816 4.7063 4.7665 4.8139 4.8274 4.9956 5.0009 5.0569 5.0585 5.1006 5.1119 5.2351 5.2487 5.2753 5.3314 5.4215 5.5062 6.2307 6.2467 7.3173 7.3337 7.5573 7.6029 7.9496 7.9992 8.1361 8.1382 8.2669 8.2681 8.8644 8.9093 9.3034 9.3053 10.5575 10.5605 10.6430 10.6844 11.1094 11.1113 11.5167 11.5297 12.2659 12.2696 12.3026 12.3240 12.3674 12.3855 12.7734 12.7757 k = 0.3462 0.1999-0.0000 ( 6834 PWs) bands (ev): -31.3949 -31.3949 -31.3877 -31.3877 -31.3848 -31.3848 -12.7107 -12.7096 -12.6974 -12.6958 -12.6686 -12.6680 -12.3618 -12.3603 -12.3453 -12.3408 -12.3113 -12.3074 -12.2959 -12.2952 -12.2833 -12.2803 -12.2685 -12.2653 -1.6107 -1.6106 -1.1748 -1.1745 -0.8908 -0.8906 3.8312 3.8324 3.9742 3.9966 4.0767 4.0999 4.1507 4.1689 4.2698 4.2813 4.3371 4.3496 4.4685 4.5048 4.6237 4.6829 4.7060 4.7635 4.8151 4.8237 4.9912 5.0001 5.0510 5.0535 5.1020 5.1155 5.2300 5.2415 5.2724 5.3184 5.4109 5.4968 6.2743 6.2869 7.3378 7.3474 7.5753 7.6000 8.0332 8.0705 8.1397 8.1435 8.2858 8.2865 8.8153 8.8626 9.2546 9.2562 10.5190 10.5286 10.6908 10.7251 11.1157 11.1166 11.4978 11.5124 12.2881 12.3045 12.3260 12.3291 12.3612 12.3777 12.8522 12.8553 k = 0.3654 0.2110-0.0000 ( 6844 PWs) bands (ev): -31.3946 -31.3946 -31.3879 -31.3879 -31.3848 -31.3848 -12.7105 -12.7095 -12.6962 -12.6946 -12.6698 -12.6691 -12.3615 -12.3601 -12.3436 -12.3389 -12.3126 -12.3084 -12.2959 -12.2951 -12.2839 -12.2810 -12.2691 -12.2661 -1.5932 -1.5931 -1.1813 -1.1810 -0.9024 -0.9022 3.8319 3.8329 3.9730 3.9962 4.0629 4.0860 4.1367 4.1512 4.2684 4.2811 4.3308 4.3453 4.4838 4.5168 4.6276 4.6831 4.7095 4.7618 4.8163 4.8203 4.9851 4.9962 5.0466 5.0494 5.1037 5.1185 5.2173 5.2438 5.2667 5.3059 5.4048 5.4874 6.3178 6.3274 7.3238 7.3258 7.6194 7.6268 8.1074 8.1221 8.1540 8.1740 8.3060 8.3063 8.7650 8.8151 9.2085 9.2097 10.4736 10.4861 10.7359 10.7656 11.1257 11.1258 11.4756 11.4911 12.2729 12.2907 12.3731 12.3792 12.3841 12.3894 12.8371 12.8663 k = 0.3846 0.2221-0.0000 ( 6842 PWs) bands (ev): -31.3944 -31.3944 -31.3882 -31.3882 -31.3848 -31.3848 -12.7102 -12.7093 -12.6950 -12.6935 -12.6709 -12.6703 -12.3612 -12.3599 -12.3418 -12.3370 -12.3141 -12.3095 -12.2958 -12.2949 -12.2845 -12.2818 -12.2696 -12.2667 -1.5765 -1.5764 -1.1878 -1.1875 -0.9131 -0.9129 3.8324 3.8332 3.9728 3.9965 4.0500 4.0729 4.1236 4.1349 4.2674 4.2799 4.3269 4.3415 4.4987 4.5277 4.6319 4.6813 4.7173 4.7615 4.8173 4.8177 4.9773 4.9887 5.0447 5.0465 5.1055 5.1209 5.2062 5.2467 5.2578 5.2952 5.4025 5.4782 6.3604 6.3676 7.2858 7.2872 7.6755 7.6783 8.1283 8.1304 8.2164 8.2455 8.3259 8.3278 8.7148 8.7680 9.1657 9.1666 10.4253 10.4388 10.7773 10.8033 11.1366 11.1375 11.4516 11.4672 12.2622 12.2790 12.3957 12.4004 12.4393 12.4416 12.7676 12.7982 k = 0.4038 0.2332-0.0000 ( 6850 PWs) bands (ev): -31.3941 -31.3941 -31.3884 -31.3884 -31.3848 -31.3848 -12.7100 -12.7093 -12.6938 -12.6924 -12.6720 -12.6713 -12.3610 -12.3598 -12.3400 -12.3352 -12.3155 -12.3108 -12.2956 -12.2948 -12.2850 -12.2827 -12.2698 -12.2673 -1.5610 -1.5609 -1.1943 -1.1940 -0.9226 -0.9224 3.8327 3.8333 3.9735 3.9975 4.0379 4.0606 4.1119 4.1203 4.2667 4.2780 4.3245 4.3381 4.5127 4.5370 4.6364 4.6783 4.7285 4.7628 4.8145 4.8189 4.9678 4.9781 5.0447 5.0448 5.1073 5.1226 5.1977 5.2466 5.2495 5.2866 5.4031 5.4691 6.4014 6.4067 7.2401 7.2423 7.7333 7.7412 8.1309 8.1315 8.2878 8.3146 8.3452 8.3520 8.6666 8.7232 9.1270 9.1275 10.3769 10.3901 10.8147 10.8372 11.1476 11.1490 11.4276 11.4424 12.2590 12.2757 12.4184 12.4191 12.4953 12.4982 12.7012 12.7326 k = 0.4231 0.2443-0.0000 ( 6852 PWs) bands (ev): -31.3939 -31.3939 -31.3887 -31.3887 -31.3848 -31.3848 -12.7099 -12.7092 -12.6927 -12.6914 -12.6730 -12.6723 -12.3607 -12.3598 -12.3382 -12.3335 -12.3169 -12.3123 -12.2953 -12.2945 -12.2855 -12.2835 -12.2700 -12.2679 -1.5473 -1.5472 -1.2004 -1.2001 -0.9306 -0.9305 3.8328 3.8332 3.9752 3.9994 4.0268 4.0495 4.1019 4.1079 4.2664 4.2759 4.3234 4.3349 4.5251 4.5443 4.6410 4.6747 4.7418 4.7656 4.8120 4.8199 4.9572 4.9660 5.0443 5.0459 5.1093 5.1234 5.1918 5.2342 5.2522 5.2799 5.4058 5.4603 6.4396 6.4433 7.1951 7.1970 7.7924 7.8025 8.1313 8.1314 8.3473 8.3562 8.3632 8.3910 8.6249 8.6841 9.0932 9.0935 10.3315 10.3434 10.8478 10.8667 11.1578 11.1593 11.4049 11.4183 12.2646 12.2816 12.4352 12.4380 12.5487 12.5531 12.6415 12.6722 k = 0.4423 0.2554-0.0000 ( 6850 PWs) bands (ev): -31.3937 -31.3937 -31.3889 -31.3889 -31.3848 -31.3848 -12.7097 -12.7092 -12.6916 -12.6905 -12.6738 -12.6733 -12.3605 -12.3598 -12.3365 -12.3322 -12.3180 -12.3138 -12.2950 -12.2943 -12.2858 -12.2843 -12.2700 -12.2683 -1.5358 -1.5357 -1.2057 -1.2055 -0.9371 -0.9370 3.8329 3.8332 3.9780 4.0020 4.0167 4.0394 4.0940 4.0980 4.2663 4.2737 4.3231 4.3321 4.5354 4.5496 4.6455 4.6709 4.7557 4.7694 4.8101 4.8205 4.9466 4.9536 5.0446 5.0471 5.1114 5.1234 5.1887 5.2221 5.2548 5.2745 5.4101 5.4518 6.4734 6.4759 7.1547 7.1562 7.8478 7.8581 8.1311 8.1313 8.3761 8.3778 8.3894 8.4277 8.5982 8.6548 9.0654 9.0654 10.2921 10.3020 10.8760 10.8909 11.1662 11.1674 11.3853 11.3963 12.2792 12.2965 12.4438 12.4483 12.5777 12.6017 12.6135 12.6233 k = 0.4615 0.2665-0.0000 ( 6842 PWs) bands (ev): -31.3936 -31.3936 -31.3890 -31.3890 -31.3848 -31.3848 -12.7095 -12.7092 -12.6907 -12.6899 -12.6745 -12.6741 -12.3603 -12.3598 -12.3347 -12.3314 -12.3187 -12.3153 -12.2947 -12.2942 -12.2860 -12.2849 -12.2699 -12.2688 -1.5270 -1.5270 -1.2099 -1.2098 -0.9418 -0.9417 3.8329 3.8331 3.9819 4.0056 4.0078 4.0305 4.0883 4.0908 4.2667 4.2716 4.3236 4.3297 4.5435 4.5527 4.6499 4.6668 4.7682 4.7738 4.8091 4.8200 4.9374 4.9425 5.0455 5.0479 5.1137 5.1225 5.1882 5.2112 5.2574 5.2701 5.4155 5.4437 6.5005 6.5020 7.1225 7.1234 7.8948 7.9033 8.1308 8.1312 8.3896 8.3897 8.4101 8.4369 8.5961 8.6381 9.0443 9.0444 10.2619 10.2689 10.8982 10.9087 11.1724 11.1733 11.3703 11.3782 12.3023 12.3195 12.4383 12.4388 12.5554 12.5813 12.6505 12.6505 k = 0.4808 0.2776-0.0000 ( 6856 PWs) bands (ev): -31.3935 -31.3935 -31.3891 -31.3891 -31.3848 -31.3848 -12.7094 -12.7093 -12.6900 -12.6896 -12.6749 -12.6746 -12.3602 -12.3599 -12.3332 -12.3313 -12.3187 -12.3168 -12.2944 -12.2941 -12.2861 -12.2855 -12.2697 -12.2692 -1.5216 -1.5215 -1.2126 -1.2126 -0.9447 -0.9446 3.8329 3.8330 3.9868 3.9997 4.0103 4.0226 4.0850 4.0862 4.2674 4.2699 4.3245 4.3275 4.5492 4.5537 4.6543 4.6627 4.7767 4.7776 4.8103 4.8178 4.9313 4.9341 5.0466 5.0480 5.1162 5.1208 5.1903 5.2020 5.2601 5.2663 5.4217 5.4359 6.5184 6.5191 7.1015 7.1019 7.9279 7.9328 8.1308 8.1311 8.3971 8.3981 8.4163 8.4278 8.6093 8.6301 9.0312 9.0313 10.2433 10.2470 10.9135 10.9189 11.1762 11.1767 11.3614 11.3656 12.3328 12.3489 12.4083 12.4160 12.5488 12.5612 12.6816 12.6819 k = 0.5000 0.2887-0.0000 ( 6860 PWs) bands (ev): -31.3934 -31.3934 -31.3891 -31.3891 -31.3848 -31.3848 -12.7093 -12.7093 -12.6897 -12.6897 -12.6749 -12.6749 -12.3600 -12.3600 -12.3320 -12.3320 -12.3180 -12.3180 -12.2942 -12.2942 -12.2859 -12.2859 -12.2695 -12.2695 -1.5197 -1.5197 -1.2135 -1.2135 -0.9456 -0.9456 3.8329 3.8329 3.9927 3.9927 4.0159 4.0159 4.0842 4.0842 4.2684 4.2684 4.3258 4.3258 4.5526 4.5526 4.6585 4.6585 4.7793 4.7793 4.8140 4.8140 4.9301 4.9301 5.0475 5.0475 5.1186 5.1186 5.1950 5.1950 5.2630 5.2630 5.4286 5.4286 6.5249 6.5249 7.0943 7.0943 7.9415 7.9415 8.1309 8.1309 8.4003 8.4003 8.4194 8.4194 8.6222 8.6222 9.0268 9.0268 10.2381 10.2381 10.9205 10.9205 11.1776 11.1776 11.3598 11.3598 12.3677 12.3677 12.3850 12.3850 12.5521 12.5521 12.6936 12.6936 k = 0.5000 0.2887-0.0000 ( 6860 PWs) bands (ev): -31.3934 -31.3934 -31.3891 -31.3891 -31.3848 -31.3848 -12.7093 -12.7093 -12.6897 -12.6897 -12.6749 -12.6749 -12.3600 -12.3600 -12.3320 -12.3320 -12.3180 -12.3180 -12.2942 -12.2942 -12.2859 -12.2859 -12.2695 -12.2695 -1.5197 -1.5197 -1.2135 -1.2135 -0.9456 -0.9456 3.8329 3.8329 3.9927 3.9927 4.0159 4.0159 4.0842 4.0842 4.2684 4.2684 4.3258 4.3258 4.5526 4.5526 4.6585 4.6585 4.7793 4.7793 4.8140 4.8140 4.9301 4.9301 5.0475 5.0475 5.1186 5.1186 5.1950 5.1950 5.2630 5.2630 5.4286 5.4286 6.5249 6.5249 7.0943 7.0943 7.9415 7.9415 8.1309 8.1309 8.4003 8.4003 8.4194 8.4194 8.6222 8.6222 9.0268 9.0268 10.2381 10.2381 10.9205 10.9205 11.1776 11.1776 11.3598 11.3598 12.3677 12.3677 12.3850 12.3850 12.5521 12.5521 12.6936 12.6936 k = 0.4889 0.3079-0.0000 ( 6844 PWs) bands (ev): -31.3934 -31.3934 -31.3891 -31.3891 -31.3848 -31.3848 -12.7093 -12.7093 -12.6896 -12.6896 -12.6750 -12.6750 -12.3600 -12.3600 -12.3320 -12.3320 -12.3180 -12.3180 -12.2942 -12.2942 -12.2859 -12.2859 -12.2695 -12.2695 -1.5194 -1.5194 -1.2130 -1.2130 -0.9465 -0.9465 3.8330 3.8330 3.9917 3.9917 4.0146 4.0146 4.0857 4.0857 4.2687 4.2687 4.3259 4.3259 4.5486 4.5486 4.6609 4.6609 4.7792 4.7792 4.8147 4.8147 4.9303 4.9303 5.0471 5.0471 5.1185 5.1185 5.1951 5.1951 5.2637 5.2637 5.4331 5.4331 6.5228 6.5228 7.0843 7.0843 7.9513 7.9513 8.1320 8.1320 8.3998 8.3998 8.4215 8.4215 8.6240 8.6240 9.0258 9.0258 10.2373 10.2373 10.9198 10.9198 11.1547 11.1547 11.3829 11.3829 12.3537 12.3537 12.3746 12.3746 12.5726 12.5726 12.6963 12.6963 k = 0.4778 0.3272-0.0000 ( 6846 PWs) bands (ev): -31.3934 -31.3934 -31.3892 -31.3892 -31.3848 -31.3848 -12.7092 -12.7092 -12.6896 -12.6896 -12.6751 -12.6751 -12.3599 -12.3599 -12.3320 -12.3320 -12.3181 -12.3181 -12.2941 -12.2941 -12.2859 -12.2859 -12.2697 -12.2697 -1.5186 -1.5186 -1.2113 -1.2113 -0.9490 -0.9490 3.8332 3.8332 3.9881 3.9881 4.0119 4.0119 4.0895 4.0895 4.2695 4.2695 4.3260 4.3260 4.5378 4.5378 4.6669 4.6669 4.7786 4.7786 4.8167 4.8167 4.9306 4.9306 5.0460 5.0460 5.1179 5.1179 5.1953 5.1953 5.2654 5.2654 5.4469 5.4469 6.5164 6.5164 7.0559 7.0559 7.9791 7.9791 8.1353 8.1353 8.3983 8.3983 8.4278 8.4278 8.6295 8.6295 9.0227 9.0227 10.2345 10.2345 10.9174 10.9174 11.1049 11.1049 11.4331 11.4331 12.3038 12.3038 12.3694 12.3694 12.6156 12.6156 12.7042 12.7042 k = 0.4667 0.3464-0.0000 ( 6844 PWs) bands (ev): -31.3933 -31.3933 -31.3892 -31.3892 -31.3848 -31.3848 -12.7091 -12.7091 -12.6895 -12.6895 -12.6753 -12.6753 -12.3598 -12.3598 -12.3319 -12.3319 -12.3182 -12.3182 -12.2940 -12.2940 -12.2858 -12.2858 -12.2699 -12.2699 -1.5172 -1.5172 -1.2085 -1.2085 -0.9533 -0.9533 3.8334 3.8334 3.9814 3.9814 4.0097 4.0097 4.0940 4.0940 4.2708 4.2708 4.3262 4.3262 4.5225 4.5225 4.6747 4.6747 4.7776 4.7776 4.8199 4.8199 4.9311 4.9311 5.0445 5.0445 5.1173 5.1173 5.1957 5.1957 5.2674 5.2674 5.4698 5.4698 6.5059 6.5059 7.0126 7.0126 8.0208 8.0208 8.1409 8.1409 8.3956 8.3956 8.4382 8.4382 8.6389 8.6389 9.0178 9.0178 10.2297 10.2297 10.9132 10.9132 11.0477 11.0477 11.4911 11.4911 12.2418 12.2418 12.3644 12.3644 12.6627 12.6627 12.7177 12.7177 k = 0.4556 0.3657-0.0000 ( 6848 PWs) bands (ev): -31.3933 -31.3933 -31.3893 -31.3893 -31.3848 -31.3848 -12.7089 -12.7089 -12.6893 -12.6893 -12.6756 -12.6756 -12.3596 -12.3596 -12.3319 -12.3319 -12.3183 -12.3183 -12.2938 -12.2938 -12.2858 -12.2858 -12.2703 -12.2703 -1.5154 -1.5154 -1.2046 -1.2046 -0.9592 -0.9592 3.8338 3.8338 3.9720 3.9720 4.0088 4.0088 4.0982 4.0982 4.2728 4.2728 4.3266 4.3266 4.5049 4.5049 4.6828 4.6828 4.7762 4.7762 4.8241 4.8241 4.9319 4.9319 5.0427 5.0427 5.1167 5.1167 5.1961 5.1961 5.2689 5.2689 5.5016 5.5016 6.4915 6.4915 6.9586 6.9586 8.0713 8.0713 8.1490 8.1490 8.3917 8.3917 8.4522 8.4522 8.6523 8.6523 9.0110 9.0110 10.2224 10.2224 10.9067 10.9067 10.9906 10.9906 11.5502 11.5502 12.1765 12.1765 12.3581 12.3581 12.7069 12.7069 12.7377 12.7377 k = 0.4444 0.3849-0.0000 ( 6848 PWs) bands (ev): -31.3932 -31.3932 -31.3894 -31.3894 -31.3848 -31.3848 -12.7087 -12.7087 -12.6891 -12.6891 -12.6759 -12.6759 -12.3595 -12.3595 -12.3318 -12.3318 -12.3185 -12.3185 -12.2936 -12.2936 -12.2857 -12.2857 -12.2707 -12.2707 -1.5131 -1.5131 -1.1996 -1.1996 -0.9667 -0.9667 3.8343 3.8343 3.9612 3.9612 4.0090 4.0090 4.1010 4.1010 4.2755 4.2755 4.3271 4.3271 4.4863 4.4863 4.6904 4.6904 4.7745 4.7745 4.8288 4.8288 4.9327 4.9327 5.0410 5.0410 5.1163 5.1163 5.1967 5.1967 5.2696 5.2696 5.5417 5.5417 6.4737 6.4737 6.8977 6.8977 8.1240 8.1241 8.1619 8.1619 8.3869 8.3869 8.4692 8.4692 8.6701 8.6701 9.0026 9.0026 10.2121 10.2121 10.8968 10.8968 10.9374 10.9374 11.6072 11.6072 12.1114 12.1114 12.3505 12.3505 12.7433 12.7433 12.7664 12.7664 k = 0.4333 0.4041-0.0000 ( 6844 PWs) bands (ev): -31.3931 -31.3931 -31.3895 -31.3895 -31.3848 -31.3848 -12.7084 -12.7084 -12.6889 -12.6889 -12.6763 -12.6763 -12.3592 -12.3592 -12.3316 -12.3316 -12.3188 -12.3188 -12.2933 -12.2933 -12.2857 -12.2857 -12.2712 -12.2712 -1.5104 -1.5104 -1.1936 -1.1936 -0.9756 -0.9756 3.8349 3.8349 3.9498 3.9498 4.0099 4.0099 4.1021 4.1021 4.2789 4.2789 4.3280 4.3280 4.4677 4.4677 4.6975 4.6975 4.7725 4.7725 4.8341 4.8341 4.9337 4.9337 5.0394 5.0394 5.1161 5.1161 5.1973 5.1973 5.2694 5.2694 5.5891 5.5891 6.4527 6.4527 6.8326 6.8326 8.1590 8.1590 8.1954 8.1954 8.3814 8.3814 8.4884 8.4884 8.6926 8.6926 8.9928 8.9928 10.1985 10.1985 10.8764 10.8764 10.8966 10.8966 11.6606 11.6606 12.0489 12.0489 12.3421 12.3421 12.7741 12.7741 12.8007 12.8007 k = 0.4222 0.4234-0.0000 ( 6852 PWs) bands (ev): -31.3929 -31.3929 -31.3896 -31.3896 -31.3848 -31.3848 -12.7082 -12.7082 -12.6886 -12.6886 -12.6768 -12.6768 -12.3590 -12.3590 -12.3314 -12.3314 -12.3191 -12.3191 -12.2930 -12.2930 -12.2857 -12.2857 -12.2717 -12.2717 -1.5074 -1.5074 -1.1865 -1.1865 -0.9860 -0.9860 3.8356 3.8356 3.9384 3.9384 4.0114 4.0114 4.1012 4.1012 4.2828 4.2828 4.3291 4.3291 4.4497 4.4497 4.7038 4.7038 4.7703 4.7703 4.8395 4.8395 4.9346 4.9346 5.0382 5.0382 5.1162 5.1162 5.1981 5.1981 5.2683 5.2683 5.6428 5.6428 6.4289 6.4289 6.7655 6.7655 8.1753 8.1753 8.2470 8.2470 8.3756 8.3756 8.5087 8.5087 8.7200 8.7200 8.9819 8.9819 10.1813 10.1813 10.8387 10.8387 10.8761 10.8761 11.7090 11.7090 11.9910 11.9910 12.3332 12.3332 12.8053 12.8053 12.8337 12.8337 k = 0.4111 0.4426-0.0000 ( 6844 PWs) bands (ev): -31.3928 -31.3928 -31.3898 -31.3898 -31.3848 -31.3848 -12.7079 -12.7079 -12.6882 -12.6882 -12.6774 -12.6774 -12.3588 -12.3588 -12.3312 -12.3312 -12.3195 -12.3195 -12.2926 -12.2926 -12.2856 -12.2856 -12.2723 -12.2723 -1.5042 -1.5042 -1.1785 -1.1785 -0.9975 -0.9975 3.8363 3.8363 3.9276 3.9276 4.0135 4.0135 4.0984 4.0984 4.2872 4.2872 4.3307 4.3307 4.4329 4.4329 4.7095 4.7095 4.7679 4.7679 4.8451 4.8451 4.9356 4.9356 5.0372 5.0372 5.1163 5.1163 5.1989 5.1989 5.2665 5.2665 5.7020 5.7020 6.4029 6.4029 6.6978 6.6978 8.1900 8.1900 8.2957 8.2957 8.3714 8.3714 8.5292 8.5292 8.7520 8.7520 8.9704 8.9704 10.1607 10.1607 10.8033 10.8033 10.8569 10.8569 11.7512 11.7512 11.9395 11.9395 12.3247 12.3247 12.8385 12.8385 12.8638 12.8638 k = 0.4000 0.4619-0.0000 ( 6828 PWs) bands (ev): -31.3926 -31.3926 -31.3899 -31.3899 -31.3848 -31.3848 -12.7076 -12.7076 -12.6877 -12.6877 -12.6780 -12.6780 -12.3585 -12.3585 -12.3308 -12.3308 -12.3200 -12.3200 -12.2921 -12.2921 -12.2857 -12.2857 -12.2729 -12.2729 -1.5008 -1.5008 -1.1694 -1.1694 -1.0102 -1.0102 3.8371 3.8371 3.9176 3.9176 4.0160 4.0160 4.0939 4.0939 4.2918 4.2918 4.3327 4.3327 4.4173 4.4173 4.7147 4.7147 4.7655 4.7655 4.8508 4.8508 4.9365 4.9365 5.0365 5.0365 5.1166 5.1166 5.1999 5.1999 5.2641 5.2641 5.7657 5.7657 6.3751 6.3751 6.6309 6.6309 8.2051 8.2051 8.3296 8.3296 8.3769 8.3769 8.5483 8.5483 8.7878 8.7878 8.9585 8.9585 10.1375 10.1375 10.7745 10.7745 10.8353 10.8353 11.7860 11.7860 11.8960 11.8960 12.3173 12.3173 12.8713 12.8713 12.8928 12.8928 k = 0.3889 0.4811-0.0000 ( 6830 PWs) bands (ev): -31.3924 -31.3924 -31.3901 -31.3901 -31.3848 -31.3848 -12.7074 -12.7074 -12.6872 -12.6872 -12.6787 -12.6787 -12.3583 -12.3583 -12.3304 -12.3304 -12.3205 -12.3205 -12.2917 -12.2917 -12.2857 -12.2857 -12.2734 -12.2734 -1.4975 -1.4975 -1.1594 -1.1594 -1.0238 -1.0238 3.8378 3.8378 3.9087 3.9087 4.0191 4.0191 4.0881 4.0881 4.2961 4.2961 4.3352 4.3352 4.4032 4.4032 4.7193 4.7193 4.7631 4.7631 4.8563 4.8563 4.9371 4.9371 5.0361 5.0361 5.1168 5.1168 5.2009 5.2009 5.2614 5.2614 5.8331 5.8331 6.3460 6.3460 6.5656 6.5656 8.2207 8.2207 8.3356 8.3356 8.4048 8.4048 8.5648 8.5648 8.8255 8.8255 8.9467 8.9467 10.1129 10.1129 10.7523 10.7523 10.8115 10.8115 11.8126 11.8126 11.8616 11.8616 12.3116 12.3116 12.8972 12.8972 12.9272 12.9272 k = 0.3778 0.5004-0.0000 ( 6830 PWs) bands (ev): -31.3922 -31.3922 -31.3903 -31.3903 -31.3848 -31.3848 -12.7072 -12.7072 -12.6866 -12.6866 -12.6795 -12.6795 -12.3581 -12.3581 -12.3299 -12.3299 -12.3211 -12.3211 -12.2912 -12.2912 -12.2859 -12.2859 -12.2739 -12.2739 -1.4942 -1.4942 -1.1486 -1.1486 -1.0381 -1.0381 3.8385 3.8385 3.9011 3.9011 4.0227 4.0227 4.0813 4.0813 4.3001 4.3001 4.3383 4.3383 4.3908 4.3908 4.7232 4.7232 4.7608 4.7608 4.8617 4.8617 4.9374 4.9374 5.0357 5.0357 5.1170 5.1170 5.2019 5.2019 5.2586 5.2586 5.9031 5.9031 6.3161 6.3161 6.5027 6.5027 8.2364 8.2364 8.3297 8.3297 8.4391 8.4391 8.5771 8.5771 8.8628 8.8628 8.9356 8.9356 10.0887 10.0887 10.7358 10.7358 10.7873 10.7873 11.8287 11.8287 11.8386 11.8386 12.3081 12.3081 12.9149 12.9149 12.9678 12.9678 k = 0.3667 0.5196-0.0000 ( 6834 PWs) bands (ev): -31.3920 -31.3920 -31.3905 -31.3905 -31.3849 -31.3849 -12.7070 -12.7070 -12.6858 -12.6858 -12.6803 -12.6803 -12.3580 -12.3580 -12.3294 -12.3294 -12.3218 -12.3218 -12.2908 -12.2908 -12.2861 -12.2861 -12.2743 -12.2743 -1.4914 -1.4914 -1.1369 -1.1369 -1.0529 -1.0529 3.8392 3.8392 3.8949 3.8949 4.0267 4.0267 4.0741 4.0741 4.3034 4.3034 4.3417 4.3417 4.3800 4.3800 4.7265 4.7265 4.7588 4.7588 4.8667 4.8667 4.9374 4.9374 5.0355 5.0355 5.1171 5.1171 5.2028 5.2028 5.2560 5.2560 5.9745 5.9745 6.2866 6.2866 6.4429 6.4429 8.2520 8.2520 8.3210 8.3210 8.4713 8.4713 8.5838 8.5838 8.8965 8.8965 8.9258 8.9258 10.0670 10.0670 10.7235 10.7235 10.7653 10.7653 11.8198 11.8198 11.8416 11.8416 12.3068 12.3068 12.9272 12.9272 13.0119 13.0119 k = 0.3556 0.5389-0.0000 ( 6838 PWs) bands (ev): -31.3918 -31.3918 -31.3907 -31.3907 -31.3849 -31.3849 -12.7069 -12.7069 -12.6850 -12.6850 -12.6812 -12.6812 -12.3579 -12.3579 -12.3288 -12.3288 -12.3224 -12.3224 -12.2903 -12.2903 -12.2863 -12.2863 -12.2746 -12.2746 -1.4890 -1.4890 -1.1244 -1.1244 -1.0678 -1.0678 3.8397 3.8397 3.8904 3.8904 4.0310 4.0310 4.0672 4.0672 4.3059 4.3059 4.3452 4.3452 4.3713 4.3713 4.7290 4.7290 4.7572 4.7572 4.8710 4.8710 4.9369 4.9369 5.0353 5.0353 5.1171 5.1171 5.2034 5.2034 5.2539 5.2539 6.0441 6.0441 6.2597 6.2597 6.3872 6.3872 8.2667 8.2667 8.3115 8.3115 8.5002 8.5002 8.5838 8.5838 8.9172 8.9172 8.9243 8.9243 10.0497 10.0497 10.7137 10.7137 10.7486 10.7486 11.8138 11.8138 11.8428 11.8428 12.3071 12.3071 12.9353 12.9353 13.0580 13.0580 k = 0.3444 0.5581-0.0000 ( 6823 PWs) bands (ev): -31.3915 -31.3915 -31.3910 -31.3910 -31.3849 -31.3849 -12.7068 -12.7068 -12.6841 -12.6841 -12.6821 -12.6821 -12.3578 -12.3578 -12.3283 -12.3283 -12.3229 -12.3229 -12.2900 -12.2900 -12.2865 -12.2865 -12.2748 -12.2748 -1.4874 -1.4874 -1.1112 -1.1112 -1.0828 -1.0828 3.8400 3.8400 3.8876 3.8876 4.0350 4.0350 4.0614 4.0614 4.3074 4.3074 4.3482 4.3482 4.3653 4.3653 4.7306 4.7306 4.7563 4.7563 4.8742 4.8742 4.9364 4.9364 5.0352 5.0352 5.1170 5.1170 5.2038 5.2038 5.2525 5.2525 6.1027 6.1027 6.2427 6.2427 6.3378 6.3378 8.2801 8.2801 8.3015 8.3015 8.5248 8.5248 8.5771 8.5771 8.9123 8.9123 8.9415 8.9415 10.0384 10.0384 10.7063 10.7063 10.7392 10.7392 11.8161 11.8161 11.8373 11.8373 12.3082 12.3082 12.9398 12.9398 13.1053 13.1053 k = 0.3333 0.5774-0.0000 ( 6831 PWs) bands (ev): -31.3912 -31.3912 -31.3912 -31.3912 -31.3849 -31.3849 -12.7068 -12.7068 -12.6832 -12.6832 -12.6830 -12.6830 -12.3578 -12.3578 -12.3281 -12.3281 -12.3232 -12.3232 -12.2899 -12.2899 -12.2866 -12.2866 -12.2749 -12.2749 -1.4868 -1.4868 -1.0974 -1.0974 -1.0972 -1.0972 3.8401 3.8401 3.8867 3.8867 4.0368 4.0368 4.0589 4.0589 4.3080 4.3080 4.3494 4.3494 4.3630 4.3630 4.7311 4.7311 4.7560 4.7560 4.8755 4.8755 4.9360 4.9360 5.0352 5.0352 5.1170 5.1170 5.2039 5.2039 5.2520 5.2520 6.1259 6.1259 6.2457 6.2457 6.3090 6.3090 8.2908 8.2908 8.2921 8.2921 8.5383 8.5383 8.5698 8.5698 8.9105 8.9105 8.9476 8.9476 10.0345 10.0345 10.7033 10.7033 10.7363 10.7363 11.8246 11.8246 11.8277 11.8277 12.3088 12.3088 12.9412 12.9412 13.1518 13.1518 k = 0.3333 0.5774-0.0000 ( 6831 PWs) bands (ev): -31.3912 -31.3912 -31.3912 -31.3912 -31.3849 -31.3849 -12.7068 -12.7068 -12.6832 -12.6832 -12.6830 -12.6830 -12.3578 -12.3578 -12.3281 -12.3281 -12.3232 -12.3232 -12.2899 -12.2899 -12.2866 -12.2866 -12.2749 -12.2749 -1.4868 -1.4868 -1.0974 -1.0974 -1.0972 -1.0972 3.8401 3.8401 3.8867 3.8867 4.0368 4.0368 4.0589 4.0589 4.3080 4.3080 4.3494 4.3494 4.3630 4.3630 4.7311 4.7311 4.7560 4.7560 4.8755 4.8755 4.9360 4.9360 5.0352 5.0352 5.1170 5.1170 5.2039 5.2039 5.2520 5.2520 6.1259 6.1259 6.2457 6.2457 6.3090 6.3090 8.2908 8.2908 8.2921 8.2921 8.5383 8.5383 8.5698 8.5698 8.9105 8.9105 8.9476 8.9476 10.0345 10.0345 10.7033 10.7033 10.7363 10.7363 11.8246 11.8246 11.8277 11.8277 12.3088 12.3088 12.9412 12.9412 13.1518 13.1518 k = 0.3222 0.5581-0.0000 ( 6827 PWs) bands (ev): -31.3915 -31.3915 -31.3910 -31.3910 -31.3849 -31.3849 -12.7068 -12.7068 -12.6842 -12.6842 -12.6821 -12.6821 -12.3578 -12.3578 -12.3283 -12.3283 -12.3229 -12.3229 -12.2900 -12.2900 -12.2865 -12.2865 -12.2748 -12.2748 -1.4875 -1.4875 -1.1111 -1.1111 -1.0828 -1.0828 3.8400 3.8400 3.8876 3.8876 4.0349 4.0349 4.0615 4.0615 4.3074 4.3074 4.3488 4.3488 4.3647 4.3647 4.7306 4.7306 4.7562 4.7562 4.8740 4.8740 4.9366 4.9366 5.0352 5.0352 5.1171 5.1171 5.2039 5.2039 5.2525 5.2525 6.1116 6.1116 6.2241 6.2241 6.3474 6.3474 8.2814 8.2814 8.3001 8.3001 8.5223 8.5223 8.5793 8.5793 8.9125 8.9125 8.9416 8.9416 10.0385 10.0385 10.7061 10.7061 10.7395 10.7395 11.8107 11.8107 11.8429 11.8429 12.3079 12.3079 12.9400 12.9400 13.0952 13.0952 k = 0.3111 0.5389-0.0000 ( 6831 PWs) bands (ev): -31.3918 -31.3918 -31.3907 -31.3907 -31.3849 -31.3849 -12.7069 -12.7069 -12.6853 -12.6853 -12.6810 -12.6810 -12.3579 -12.3579 -12.3291 -12.3291 -12.3221 -12.3221 -12.2904 -12.2904 -12.2862 -12.2862 -12.2746 -12.2746 -1.4897 -1.4897 -1.1238 -1.1238 -1.0677 -1.0677 3.8397 3.8397 3.8903 3.8903 4.0309 4.0309 4.0679 4.0679 4.3060 4.3060 4.3483 4.3483 4.3680 4.3680 4.7291 4.7291 4.7568 4.7568 4.8692 4.8692 4.9384 4.9384 5.0355 5.0355 5.1171 5.1171 5.2041 5.2041 5.2538 5.2538 6.0837 6.0837 6.1878 6.1878 6.4193 6.4193 8.2715 8.2715 8.3054 8.3054 8.4886 8.4886 8.5929 8.5929 8.9161 8.9161 8.9276 8.9276 10.0507 10.0507 10.7116 10.7116 10.7519 10.7519 11.7920 11.7920 11.8652 11.8652 12.3049 12.3049 12.9366 12.9366 13.0283 13.0283 k = 0.3000 0.5196-0.0000 ( 6821 PWs) bands (ev): -31.3921 -31.3921 -31.3904 -31.3904 -31.3848 -31.3848 -12.7070 -12.7070 -12.6864 -12.6864 -12.6798 -12.6798 -12.3579 -12.3579 -12.3301 -12.3301 -12.3211 -12.3211 -12.2910 -12.2910 -12.2857 -12.2857 -12.2743 -12.2743 -1.4937 -1.4937 -1.1352 -1.1352 -1.0522 -1.0522 3.8394 3.8394 3.8948 3.8948 4.0267 4.0267 4.0764 4.0764 4.3039 4.3039 4.3488 4.3488 4.3719 4.3719 4.7267 4.7267 4.7573 4.7573 4.8615 4.8615 4.9416 4.9416 5.0361 5.0361 5.1171 5.1171 5.2048 5.2048 5.2557 5.2557 6.0519 6.0519 6.1526 6.1526 6.4990 6.4990 8.2619 8.2619 8.3071 8.3071 8.4452 8.4452 8.6002 8.6002 8.8967 8.8967 8.9341 8.9341 10.0706 10.0706 10.7148 10.7148 10.7774 10.7774 11.7707 11.7707 11.8924 11.8924 12.2995 12.2995 12.9305 12.9305 12.9601 12.9601 k = 0.2889 0.5004-0.0000 ( 6825 PWs) bands (ev): -31.3924 -31.3924 -31.3901 -31.3901 -31.3848 -31.3848 -12.7071 -12.7071 -12.6876 -12.6876 -12.6785 -12.6785 -12.3581 -12.3581 -12.3313 -12.3313 -12.3198 -12.3198 -12.2917 -12.2917 -12.2852 -12.2852 -12.2740 -12.2740 -1.4996 -1.4996 -1.1449 -1.1449 -1.0363 -1.0363 3.8390 3.8390 3.9008 3.9008 4.0231 4.0231 4.0861 4.0861 4.3016 4.3016 4.3505 4.3505 4.3758 4.3758 4.7230 4.7230 4.7576 4.7576 4.8515 4.8515 4.9458 4.9458 5.0371 5.0371 5.1169 5.1169 5.2064 5.2064 5.2581 5.2581 6.0189 6.0189 6.1203 6.1203 6.5815 6.5815 8.2524 8.2524 8.3044 8.3044 8.3946 8.3946 8.5949 8.5949 8.8712 8.8712 8.9514 8.9514 10.0973 10.0973 10.7149 10.7149 10.8152 10.8152 11.7472 11.7472 11.9236 11.9236 12.2922 12.2922 12.8845 12.8845 12.9304 12.9304 k = 0.2778 0.4811-0.0000 ( 6839 PWs) bands (ev): -31.3927 -31.3927 -31.3898 -31.3898 -31.3848 -31.3848 -12.7073 -12.7073 -12.6888 -12.6888 -12.6773 -12.6773 -12.3583 -12.3583 -12.3327 -12.3327 -12.3185 -12.3185 -12.2924 -12.2924 -12.2846 -12.2846 -12.2735 -12.2735 -1.5075 -1.5075 -1.1529 -1.1529 -1.0200 -1.0200 3.8385 3.8385 3.9083 3.9083 4.0206 4.0206 4.0969 4.0969 4.2995 4.2995 4.3530 4.3530 4.3798 4.3798 4.7176 4.7176 4.7574 4.7574 4.8407 4.8407 4.9505 4.9505 5.0386 5.0386 5.1164 5.1164 5.2092 5.2092 5.2607 5.2607 5.9859 5.9859 6.0912 6.0912 6.6651 6.6651 8.2427 8.2427 8.2953 8.2953 8.3409 8.3409 8.5698 8.5698 8.8533 8.8533 8.9743 8.9743 10.1300 10.1300 10.7125 10.7125 10.8622 10.8622 11.7214 11.7214 11.9577 11.9577 12.2838 12.2838 12.8140 12.8140 12.9257 12.9257 k = 0.2667 0.4619-0.0000 ( 6847 PWs) bands (ev): -31.3930 -31.3930 -31.3895 -31.3895 -31.3848 -31.3848 -12.7076 -12.7076 -12.6900 -12.6900 -12.6760 -12.6760 -12.3586 -12.3586 -12.3342 -12.3342 -12.3170 -12.3170 -12.2931 -12.2931 -12.2841 -12.2841 -12.2729 -12.2729 -1.5175 -1.5175 -1.1590 -1.1590 -1.0035 -1.0035 3.8380 3.8380 3.9170 3.9170 4.0194 4.0194 4.1084 4.1084 4.2976 4.2976 4.3563 4.3563 4.3837 4.3837 4.7095 4.7095 4.7568 4.7568 4.8305 4.8305 4.9555 4.9555 5.0407 5.0407 5.1155 5.1155 5.2132 5.2132 5.2633 5.2633 5.9536 5.9536 6.0650 6.0650 6.7488 6.7488 8.2295 8.2295 8.2652 8.2652 8.3037 8.3037 8.5218 8.5218 8.8488 8.8488 9.0023 9.0023 10.1673 10.1673 10.7078 10.7078 10.9160 10.9160 11.6929 11.6929 11.9938 11.9938 12.2758 12.2758 12.7432 12.7432 12.9238 12.9238 k = 0.2556 0.4426-0.0000 ( 6853 PWs) bands (ev): -31.3933 -31.3933 -31.3892 -31.3892 -31.3848 -31.3848 -12.7079 -12.7079 -12.6912 -12.6912 -12.6748 -12.6748 -12.3588 -12.3588 -12.3357 -12.3357 -12.3156 -12.3156 -12.2937 -12.2937 -12.2835 -12.2835 -12.2723 -12.2723 -1.5295 -1.5295 -1.1632 -1.1632 -0.9869 -0.9869 3.8374 3.8374 3.9265 3.9265 4.0198 4.0198 4.1206 4.1206 4.2962 4.2962 4.3604 4.3604 4.3878 4.3878 4.6981 4.6981 4.7561 4.7561 4.8224 4.8224 4.9605 4.9605 5.0434 5.0434 5.1141 5.1141 5.2184 5.2184 5.2658 5.2658 5.9222 5.9222 6.0416 6.0416 6.8318 6.8318 8.1883 8.1883 8.2357 8.2357 8.2873 8.2873 8.4543 8.4543 8.8563 8.8563 9.0349 9.0349 10.2079 10.2079 10.7008 10.7008 10.9743 10.9743 11.6614 11.6614 12.0308 12.0308 12.2700 12.2700 12.6730 12.6730 12.9255 12.9255 k = 0.2444 0.4234-0.0000 ( 6849 PWs) bands (ev): -31.3936 -31.3936 -31.3889 -31.3889 -31.3848 -31.3848 -12.7081 -12.7081 -12.6924 -12.6924 -12.6735 -12.6735 -12.3591 -12.3591 -12.3373 -12.3373 -12.3141 -12.3141 -12.2942 -12.2942 -12.2830 -12.2830 -12.2716 -12.2716 -1.5431 -1.5431 -1.1658 -1.1658 -0.9701 -0.9701 3.8368 3.8368 3.9366 3.9366 4.0223 4.0223 4.1331 4.1331 4.2953 4.2953 4.3649 4.3649 4.3922 4.3922 4.6831 4.6831 4.7557 4.7557 4.8167 4.8167 4.9652 4.9652 5.0466 5.0466 5.1123 5.1123 5.2250 5.2250 5.2680 5.2680 5.8921 5.8921 6.0207 6.0207 6.9132 6.9132 8.1226 8.1226 8.2236 8.2236 8.2723 8.2723 8.3744 8.3744 8.8718 8.8718 9.0716 9.0716 10.2506 10.2506 10.6917 10.6917 11.0350 11.0350 11.6264 11.6264 12.0677 12.0677 12.2682 12.2682 12.6038 12.6038 12.9321 12.9321 k = 0.2333 0.4041-0.0000 ( 6835 PWs) bands (ev): -31.3939 -31.3939 -31.3886 -31.3886 -31.3848 -31.3848 -12.7084 -12.7084 -12.6936 -12.6936 -12.6722 -12.6722 -12.3594 -12.3594 -12.3389 -12.3389 -12.3127 -12.3127 -12.2947 -12.2947 -12.2824 -12.2824 -12.2707 -12.2707 -1.5583 -1.5583 -1.1667 -1.1667 -0.9533 -0.9533 3.8361 3.8361 3.9465 3.9465 4.0273 4.0273 4.1458 4.1458 4.2949 4.2949 4.3699 4.3699 4.3973 4.3973 4.6651 4.6651 4.7557 4.7557 4.8134 4.8134 4.9698 4.9698 5.0503 5.0503 5.1101 5.1101 5.2327 5.2327 5.2700 5.2700 5.8633 5.8633 6.0022 6.0022 6.9918 6.9918 8.0532 8.0532 8.2078 8.2078 8.2548 8.2548 8.2935 8.2935 8.8922 8.8922 9.1118 9.1118 10.2936 10.2936 10.6805 10.6805 11.0962 11.0962 11.5875 11.5875 12.1035 12.1035 12.2719 12.2719 12.5360 12.5360 12.9449 12.9449 k = 0.2222 0.3849-0.0000 ( 6819 PWs) bands (ev): -31.3942 -31.3942 -31.3883 -31.3883 -31.3848 -31.3848 -12.7087 -12.7087 -12.6947 -12.6947 -12.6709 -12.6709 -12.3597 -12.3597 -12.3405 -12.3405 -12.3114 -12.3114 -12.2951 -12.2951 -12.2819 -12.2819 -12.2698 -12.2698 -1.5747 -1.5747 -1.1664 -1.1664 -0.9366 -0.9366 3.8354 3.8354 3.9558 3.9558 4.0353 4.0353 4.1584 4.1584 4.2949 4.2949 4.3749 4.3749 4.4035 4.4035 4.6454 4.6454 4.7564 4.7564 4.8119 4.8119 4.9739 4.9739 5.0543 5.0543 5.1075 5.1075 5.2412 5.2412 5.2719 5.2719 5.8361 5.8361 5.9857 5.9857 7.0657 7.0657 7.9850 7.9850 8.1550 8.1550 8.2328 8.2328 8.2480 8.2480 8.9156 8.9156 9.1553 9.1553 10.3353 10.3353 10.6676 10.6676 11.1562 11.1562 11.5453 11.5453 12.1375 12.1375 12.2826 12.2826 12.4697 12.4697 12.9650 12.9650 k = 0.2111 0.3657-0.0000 ( 6823 PWs) bands (ev): -31.3945 -31.3945 -31.3880 -31.3880 -31.3848 -31.3848 -12.7091 -12.7091 -12.6959 -12.6959 -12.6697 -12.6697 -12.3601 -12.3601 -12.3421 -12.3421 -12.3101 -12.3101 -12.2953 -12.2953 -12.2815 -12.2815 -12.2689 -12.2689 -1.5920 -1.5920 -1.1650 -1.1650 -0.9201 -0.9201 3.8344 3.8344 3.9639 3.9639 4.0463 4.0463 4.1704 4.1704 4.2951 4.2951 4.3795 4.3795 4.4112 4.4112 4.6254 4.6254 4.7576 4.7576 4.8116 4.8116 4.9777 4.9777 5.0586 5.0586 5.1046 5.1046 5.2498 5.2498 5.2740 5.2740 5.8104 5.8104 5.9712 5.9712 7.1321 7.1321 7.9214 7.9214 8.0626 8.0626 8.2217 8.2217 8.2278 8.2278 8.9407 8.9407 9.2015 9.2015 10.3733 10.3733 10.6539 10.6539 11.2136 11.2136 11.5004 11.5004 12.1694 12.1694 12.3007 12.3007 12.4055 12.4055 12.9455 12.9455 k = 0.2000 0.3464-0.0000 ( 6821 PWs) bands (ev): -31.3948 -31.3948 -31.3877 -31.3877 -31.3848 -31.3848 -12.7095 -12.7095 -12.6970 -12.6970 -12.6685 -12.6685 -12.3605 -12.3605 -12.3438 -12.3438 -12.3091 -12.3091 -12.2954 -12.2954 -12.2810 -12.2810 -12.2679 -12.2679 -1.6099 -1.6099 -1.1627 -1.1627 -0.9038 -0.9038 3.8334 3.8334 3.9708 3.9708 4.0602 4.0602 4.1816 4.1816 4.2954 4.2954 4.3835 4.3835 4.4209 4.4209 4.6064 4.6064 4.7592 4.7592 4.8124 4.8124 4.9811 4.9811 5.0629 5.0629 5.1017 5.1017 5.2569 5.2569 5.2779 5.2779 5.7864 5.7864 5.9583 5.9583 7.1863 7.1863 7.8662 7.8662 7.9626 7.9626 8.2091 8.2091 8.2168 8.2168 8.9668 8.9668 9.2501 9.2501 10.4046 10.4046 10.6410 10.6410 11.2670 11.2670 11.4543 11.4543 12.1993 12.1993 12.3241 12.3241 12.3461 12.3461 12.8645 12.8645 k = 0.1889 0.3272-0.0000 ( 6819 PWs) bands (ev): -31.3951 -31.3951 -31.3874 -31.3874 -31.3848 -31.3848 -12.7098 -12.7098 -12.6981 -12.6981 -12.6673 -12.6673 -12.3609 -12.3609 -12.3453 -12.3453 -12.3081 -12.3081 -12.2954 -12.2954 -12.2806 -12.2806 -12.2668 -12.2668 -1.6281 -1.6281 -1.1598 -1.1598 -0.8878 -0.8878 3.8322 3.8322 3.9767 3.9767 4.0765 4.0765 4.1916 4.1916 4.2956 4.2956 4.3866 4.3866 4.4325 4.4325 4.5898 4.5898 4.7613 4.7613 4.8139 4.8139 4.9842 4.9842 5.0671 5.0671 5.0990 5.0990 5.2603 5.2603 5.2858 5.2858 5.7641 5.7641 5.9469 5.9469 7.2217 7.2217 7.8140 7.8140 7.8743 7.8743 8.1911 8.1911 8.2134 8.2134 8.9935 8.9935 9.3007 9.3007 10.4247 10.4247 10.6314 10.6314 11.3152 11.3152 11.4091 11.4091 12.2275 12.2275 12.2821 12.2821 12.3627 12.3627 12.7814 12.7814 k = 0.1778 0.3079-0.0000 ( 6813 PWs) bands (ev): -31.3954 -31.3954 -31.3872 -31.3872 -31.3848 -31.3848 -12.7103 -12.7103 -12.6992 -12.6992 -12.6662 -12.6662 -12.3613 -12.3613 -12.3469 -12.3469 -12.3074 -12.3074 -12.2952 -12.2952 -12.2802 -12.2802 -12.2657 -12.2657 -1.6463 -1.6463 -1.1564 -1.1564 -0.8722 -0.8722 3.8308 3.8308 3.9820 3.9820 4.0943 4.0943 4.2002 4.2002 4.2957 4.2957 4.3890 4.3890 4.4457 4.4457 4.5769 4.5769 4.7635 4.7635 4.8162 4.8162 4.9869 4.9869 5.0708 5.0708 5.0969 5.0969 5.2603 5.2603 5.2974 5.2974 5.7435 5.7435 5.9368 5.9368 7.2316 7.2316 7.7280 7.7280 7.8440 7.8440 8.1733 8.1733 8.2112 8.2112 9.0204 9.0204 9.3529 9.3529 10.4288 10.4288 10.6281 10.6281 11.3554 11.3554 11.3689 11.3689 12.2213 12.2213 12.2599 12.2599 12.4038 12.4038 12.6972 12.6972 k = 0.1667 0.2887-0.0000 ( 6821 PWs) bands (ev): -31.3957 -31.3957 -31.3869 -31.3869 -31.3848 -31.3848 -12.7107 -12.7107 -12.7002 -12.7002 -12.6651 -12.6651 -12.3617 -12.3617 -12.3483 -12.3483 -12.3068 -12.3068 -12.2949 -12.2949 -12.2799 -12.2799 -12.2645 -12.2645 -1.6644 -1.6644 -1.1526 -1.1526 -0.8571 -0.8571 3.8292 3.8292 3.9867 3.9867 4.1129 4.1129 4.2070 4.2070 4.2955 4.2955 4.3906 4.3906 4.4600 4.4600 4.5691 4.5691 4.7657 4.7657 4.8192 4.8192 4.9892 4.9892 5.0734 5.0734 5.0958 5.0958 5.2582 5.2582 5.3112 5.3112 5.7247 5.7247 5.9279 5.9279 7.2138 7.2138 7.6239 7.6239 7.8595 7.8595 8.1558 8.1558 8.2100 8.2100 9.0472 9.0472 9.4065 9.4065 10.4148 10.4148 10.6312 10.6312 11.3296 11.3296 11.3935 11.3935 12.1672 12.1672 12.2890 12.2890 12.4521 12.4521 12.6124 12.6124 k = 0.1556 0.2694-0.0000 ( 6823 PWs) bands (ev): -31.3959 -31.3959 -31.3866 -31.3866 -31.3848 -31.3848 -12.7112 -12.7112 -12.7011 -12.7011 -12.6641 -12.6641 -12.3622 -12.3622 -12.3497 -12.3497 -12.3064 -12.3064 -12.2945 -12.2945 -12.2796 -12.2796 -12.2633 -12.2633 -1.6821 -1.6821 -1.1488 -1.1488 -0.8425 -0.8425 3.8275 3.8275 3.9910 3.9910 4.1314 4.1314 4.2119 4.2119 4.2952 4.2952 4.3916 4.3916 4.4744 4.4744 4.5676 4.5676 4.7678 4.7678 4.8230 4.8230 4.9912 4.9912 5.0742 5.0742 5.0966 5.0966 5.2548 5.2548 5.3266 5.3266 5.7076 5.7076 5.9200 5.9200 7.1730 7.1730 7.5175 7.5175 7.9019 7.9019 8.1389 8.1389 8.2095 8.2095 9.0736 9.0736 9.4611 9.4611 10.3843 10.3843 10.6373 10.6373 11.3012 11.3012 11.4217 11.4217 12.1147 12.1147 12.3219 12.3219 12.5047 12.5047 12.5296 12.5296 k = 0.1444 0.2502-0.0000 ( 6817 PWs) bands (ev): -31.3962 -31.3962 -31.3864 -31.3864 -31.3848 -31.3848 -12.7116 -12.7116 -12.7019 -12.7019 -12.6632 -12.6632 -12.3627 -12.3627 -12.3510 -12.3510 -12.3061 -12.3061 -12.2940 -12.2940 -12.2793 -12.2793 -12.2621 -12.2621 -1.6992 -1.6992 -1.1448 -1.1448 -0.8286 -0.8286 3.8257 3.8257 3.9950 3.9950 4.1488 4.1488 4.2149 4.2149 4.2952 4.2952 4.3922 4.3922 4.4884 4.4884 4.5729 4.5729 4.7695 4.7695 4.8280 4.8280 4.9929 4.9929 5.0735 5.0735 5.0992 5.0992 5.2507 5.2507 5.3433 5.3433 5.6922 5.6922 5.9130 5.9130 7.1169 7.1169 7.4115 7.4115 7.9620 7.9620 8.1228 8.1228 8.2097 8.2097 9.0995 9.0995 9.5162 9.5162 10.3405 10.3405 10.6422 10.6422 11.2823 11.2823 11.4429 11.4429 12.0649 12.0649 12.3580 12.3580 12.4433 12.4433 12.5669 12.5669 k = 0.1333 0.2309-0.0000 ( 6813 PWs) bands (ev): -31.3964 -31.3964 -31.3862 -31.3862 -31.3848 -31.3848 -12.7121 -12.7121 -12.7027 -12.7027 -12.6622 -12.6622 -12.3631 -12.3631 -12.3522 -12.3522 -12.3059 -12.3059 -12.2934 -12.2934 -12.2790 -12.2790 -12.2609 -12.2609 -1.7157 -1.7157 -1.1409 -1.1409 -0.8154 -0.8154 3.8238 3.8238 3.9987 3.9987 4.1640 4.1640 4.2168 4.2168 4.2956 4.2956 4.3925 4.3925 4.5022 4.5022 4.5842 4.5842 4.7706 4.7706 4.8342 4.8342 4.9944 4.9944 5.0717 5.0717 5.1030 5.1030 5.2458 5.2458 5.3613 5.3613 5.6782 5.6782 5.9069 5.9069 7.0520 7.0520 7.3070 7.3070 8.0323 8.0323 8.1085 8.1085 8.2106 8.2106 9.1245 9.1245 9.5715 9.5715 10.2856 10.2856 10.6438 10.6438 11.2734 11.2734 11.4575 11.4575 12.0181 12.0181 12.3578 12.3578 12.4014 12.4014 12.6302 12.6302 k = 0.1222 0.2117-0.0000 ( 6823 PWs) bands (ev): -31.3966 -31.3966 -31.3860 -31.3860 -31.3848 -31.3848 -12.7126 -12.7126 -12.7034 -12.7034 -12.6614 -12.6614 -12.3637 -12.3637 -12.3533 -12.3533 -12.3058 -12.3058 -12.2929 -12.2929 -12.2787 -12.2787 -12.2598 -12.2598 -1.7312 -1.7312 -1.1372 -1.1372 -0.8030 -0.8030 3.8219 3.8219 4.0018 4.0018 4.1749 4.1749 4.2193 4.2193 4.2966 4.2966 4.3929 4.3929 4.5163 4.5163 4.5999 4.5999 4.7711 4.7711 4.8418 4.8418 4.9957 4.9957 5.0693 5.0693 5.1076 5.1076 5.2406 5.2406 5.3804 5.3804 5.6656 5.6656 5.9015 5.9015 6.9828 6.9828 7.2048 7.2048 8.0846 8.0846 8.1200 8.1200 8.2123 8.2123 9.1485 9.1485 9.6265 9.6265 10.2214 10.2214 10.6415 10.6415 11.2739 11.2739 11.4663 11.4663 11.9743 11.9743 12.2780 12.2780 12.4449 12.4449 12.6961 12.6961 k = 0.1111 0.1925-0.0000 ( 6821 PWs) bands (ev): -31.3968 -31.3968 -31.3857 -31.3857 -31.3848 -31.3848 -12.7131 -12.7131 -12.7040 -12.7040 -12.6607 -12.6607 -12.3642 -12.3642 -12.3543 -12.3543 -12.3058 -12.3058 -12.2924 -12.2924 -12.2785 -12.2785 -12.2586 -12.2586 -1.7458 -1.7458 -1.1336 -1.1336 -0.7914 -0.7914 3.8200 3.8200 4.0045 4.0045 4.1799 4.1799 4.2245 4.2245 4.2982 4.2982 4.3934 4.3934 4.5315 4.5315 4.6181 4.6181 4.7710 4.7710 4.8508 4.8508 4.9970 4.9970 5.0667 5.0667 5.1126 5.1126 5.2351 5.2351 5.4007 5.4007 5.6542 5.6542 5.8969 5.8969 6.9124 6.9124 7.1056 7.1056 8.0756 8.0756 8.1930 8.1930 8.2200 8.2200 9.1713 9.1713 9.6805 9.6805 10.1494 10.1494 10.6360 10.6360 11.2822 11.2822 11.4701 11.4701 11.9339 11.9339 12.1994 12.1994 12.4934 12.4934 12.7627 12.7627 k = 0.1000 0.1732-0.0000 ( 6819 PWs) bands (ev): -31.3970 -31.3970 -31.3856 -31.3856 -31.3847 -31.3847 -12.7136 -12.7136 -12.7045 -12.7045 -12.6600 -12.6600 -12.3647 -12.3647 -12.3552 -12.3552 -12.3058 -12.3058 -12.2919 -12.2919 -12.2783 -12.2783 -12.2575 -12.2575 -1.7593 -1.7593 -1.1302 -1.1302 -0.7807 -0.7807 3.8180 3.8180 4.0064 4.0064 4.1796 4.1796 4.2323 4.2323 4.3001 4.3001 4.3943 4.3943 4.5479 4.5479 4.6370 4.6370 4.7703 4.7703 4.8614 4.8614 4.9983 4.9983 5.0639 5.0639 5.1181 5.1181 5.2298 5.2298 5.4219 5.4219 5.6438 5.6438 5.8930 5.8930 6.8429 6.8429 7.0100 7.0100 8.0635 8.0635 8.2114 8.2114 8.2903 8.2903 9.1926 9.1926 9.7326 9.7326 10.0712 10.0712 10.6285 10.6285 11.2962 11.2962 11.4702 11.4702 11.8968 11.8968 12.1238 12.1238 12.5454 12.5454 12.8235 12.8235 k = 0.0889 0.1540-0.0000 ( 6813 PWs) bands (ev): -31.3972 -31.3972 -31.3854 -31.3854 -31.3847 -31.3847 -12.7141 -12.7141 -12.7050 -12.7050 -12.6593 -12.6593 -12.3651 -12.3651 -12.3559 -12.3559 -12.3058 -12.3058 -12.2914 -12.2914 -12.2781 -12.2781 -12.2565 -12.2565 -1.7716 -1.7716 -1.1271 -1.1271 -0.7710 -0.7710 3.8162 3.8162 4.0077 4.0077 4.1764 4.1764 4.2410 4.2410 4.3022 4.3022 4.3953 4.3953 4.5654 4.5654 4.6551 4.6551 4.7692 4.7692 4.8733 4.8733 4.9998 4.9998 5.0610 5.0610 5.1241 5.1241 5.2246 5.2246 5.4438 5.4438 5.6343 5.6343 5.8900 5.8900 6.7760 6.7760 6.9187 6.9187 8.0521 8.0521 8.2141 8.2141 8.3795 8.3795 9.2123 9.2123 9.7808 9.7808 9.9895 9.9895 10.6200 10.6200 11.3140 11.3140 11.4675 11.4675 11.8632 11.8632 12.0521 12.0521 12.6000 12.6000 12.7965 12.7965 k = 0.0778 0.1347-0.0000 ( 6809 PWs) bands (ev): -31.3974 -31.3974 -31.3852 -31.3852 -31.3847 -31.3847 -12.7145 -12.7145 -12.7053 -12.7053 -12.6588 -12.6588 -12.3656 -12.3656 -12.3565 -12.3565 -12.3058 -12.3058 -12.2910 -12.2910 -12.2779 -12.2779 -12.2555 -12.2555 -1.7827 -1.7827 -1.1243 -1.1243 -0.7623 -0.7623 3.8145 3.8145 4.0082 4.0082 4.1723 4.1723 4.2491 4.2491 4.3042 4.3042 4.3965 4.3965 4.5833 4.5833 4.6715 4.6715 4.7680 4.7680 4.8863 4.8863 5.0015 5.0015 5.0579 5.0579 5.1306 5.1306 5.2198 5.2198 5.4661 5.4661 5.6255 5.6255 5.8879 5.8879 6.7131 6.7131 6.8327 6.8327 8.0417 8.0417 8.2161 8.2161 8.4715 8.4715 9.2301 9.2301 9.8155 9.8155 9.9145 9.9145 10.6113 10.6113 11.3335 11.3335 11.4631 11.4631 11.8334 11.8334 11.9851 11.9851 12.6550 12.6550 12.7521 12.7521 k = 0.0667 0.1155-0.0000 ( 6805 PWs) bands (ev): -31.3975 -31.3975 -31.3851 -31.3851 -31.3847 -31.3847 -12.7149 -12.7149 -12.7057 -12.7057 -12.6583 -12.6583 -12.3661 -12.3661 -12.3571 -12.3571 -12.3058 -12.3058 -12.2906 -12.2906 -12.2778 -12.2778 -12.2547 -12.2547 -1.7924 -1.7924 -1.1219 -1.1219 -0.7546 -0.7546 3.8129 3.8129 4.0081 4.0081 4.1683 4.1683 4.2563 4.2563 4.3060 4.3060 4.3977 4.3977 4.6012 4.6012 4.6851 4.6851 4.7670 4.7670 4.8999 4.8999 5.0037 5.0037 5.0545 5.0545 5.1377 5.1377 5.2154 5.2154 5.4878 5.4878 5.6176 5.6176 5.8869 5.8869 6.6554 6.6554 6.7528 6.7528 8.0326 8.0326 8.2179 8.2179 8.5651 8.5651 9.2457 9.2457 9.7816 9.7816 9.9017 9.9017 10.6030 10.6030 11.3532 11.3532 11.4580 11.4580 11.8072 11.8072 11.9238 11.9238 12.6875 12.6875 12.7363 12.7363 k = 0.0556 0.0962-0.0000 ( 6805 PWs) bands (ev): -31.3976 -31.3976 -31.3850 -31.3850 -31.3847 -31.3847 -12.7153 -12.7153 -12.7059 -12.7059 -12.6579 -12.6579 -12.3665 -12.3665 -12.3575 -12.3575 -12.3058 -12.3058 -12.2903 -12.2903 -12.2777 -12.2777 -12.2539 -12.2539 -1.8007 -1.8007 -1.1198 -1.1198 -0.7481 -0.7481 3.8115 3.8115 4.0075 4.0075 4.1648 4.1648 4.2623 4.2623 4.3075 4.3075 4.3990 4.3990 4.6184 4.6184 4.6950 4.6950 4.7666 4.7666 4.9134 4.9134 5.0063 5.0063 5.0508 5.0508 5.1456 5.1456 5.2114 5.2114 5.5081 5.5081 5.6108 5.6108 5.8870 5.8870 6.6041 6.6041 6.6804 6.6804 8.0248 8.0248 8.2195 8.2195 8.6597 8.6597 9.2588 9.2588 9.6968 9.6968 9.9335 9.9335 10.5956 10.5956 11.3715 11.3715 11.4532 11.4532 11.7849 11.7849 11.8693 11.8693 12.6610 12.6610 12.7861 12.7861 k = 0.0444 0.0770-0.0000 ( 6805 PWs) bands (ev): -31.3977 -31.3977 -31.3849 -31.3849 -31.3847 -31.3847 -12.7156 -12.7156 -12.7061 -12.7061 -12.6576 -12.6576 -12.3668 -12.3668 -12.3578 -12.3578 -12.3059 -12.3059 -12.2900 -12.2900 -12.2776 -12.2776 -12.2533 -12.2533 -1.8076 -1.8076 -1.1180 -1.1180 -0.7427 -0.7427 3.8104 3.8104 4.0066 4.0066 4.1621 4.1621 4.2672 4.2672 4.3088 4.3088 4.4001 4.4001 4.6344 4.6344 4.7009 4.7009 4.7672 4.7672 4.9259 4.9259 5.0094 5.0094 5.0467 5.0467 5.1539 5.1539 5.2078 5.2078 5.5254 5.5254 5.6059 5.6059 5.8883 5.8883 6.5599 6.5599 6.6173 6.6173 8.0184 8.0184 8.2209 8.2209 8.7546 8.7546 9.2690 9.2690 9.6050 9.6050 9.9666 9.9666 10.5893 10.5893 11.3870 11.3870 11.4496 11.4496 11.7664 11.7664 11.8225 11.8225 12.6308 12.6308 12.8463 12.8463 k = 0.0333 0.0577-0.0000 ( 6813 PWs) bands (ev): -31.3978 -31.3978 -31.3848 -31.3848 -31.3847 -31.3847 -12.7158 -12.7158 -12.7063 -12.7063 -12.6573 -12.6573 -12.3671 -12.3671 -12.3581 -12.3581 -12.3059 -12.3059 -12.2898 -12.2898 -12.2775 -12.2775 -12.2528 -12.2528 -1.8129 -1.8129 -1.1167 -1.1167 -0.7385 -0.7385 3.8094 3.8094 4.0055 4.0055 4.1602 4.1602 4.2709 4.2709 4.3097 4.3097 4.4010 4.4010 4.6487 4.6487 4.7028 4.7028 4.7686 4.7686 4.9365 4.9365 5.0130 5.0130 5.0421 5.0421 5.1625 5.1625 5.2044 5.2044 5.5379 5.5379 5.6037 5.6037 5.8905 5.8905 6.5235 6.5235 6.5656 6.5656 8.0133 8.0133 8.2220 8.2220 8.8487 8.8487 9.2752 9.2752 9.5139 9.5139 9.9948 9.9948 10.5842 10.5842 11.3984 11.3984 11.4480 11.4480 11.7519 11.7519 11.7847 11.7847 12.6059 12.6059 12.9078 12.9078 k = 0.0222 0.0385-0.0000 ( 6805 PWs) bands (ev): -31.3978 -31.3978 -31.3848 -31.3848 -31.3847 -31.3847 -12.7160 -12.7160 -12.7064 -12.7064 -12.6571 -12.6571 -12.3673 -12.3673 -12.3583 -12.3583 -12.3059 -12.3059 -12.2897 -12.2897 -12.2774 -12.2774 -12.2525 -12.2525 -1.8168 -1.8168 -1.1157 -1.1157 -0.7354 -0.7354 3.8087 3.8087 4.0046 4.0046 4.1589 4.1589 4.2736 4.2736 4.3104 4.3104 4.4017 4.4017 4.6610 4.6610 4.7016 4.7016 4.7703 4.7703 4.9447 4.9447 5.0172 5.0172 5.0373 5.0373 5.1705 5.1705 5.2011 5.2011 5.5449 5.5449 5.6045 5.6045 5.8931 5.8931 6.4953 6.4953 6.5278 6.5278 8.0097 8.0097 8.2229 8.2229 8.9393 8.9393 9.2744 9.2744 9.4302 9.4302 10.0160 10.0160 10.5805 10.5805 11.4050 11.4050 11.4487 11.4487 11.7412 11.7412 11.7571 11.7571 12.5876 12.5876 12.9688 12.9688 k = 0.0111 0.0192-0.0000 ( 6815 PWs) bands (ev): -31.3979 -31.3979 -31.3847 -31.3847 -31.3847 -31.3847 -12.7161 -12.7161 -12.7065 -12.7065 -12.6570 -12.6570 -12.3674 -12.3674 -12.3584 -12.3584 -12.3059 -12.3059 -12.2896 -12.2896 -12.2774 -12.2774 -12.2522 -12.2522 -1.8191 -1.8191 -1.1151 -1.1151 -0.7336 -0.7336 3.8083 3.8083 4.0040 4.0040 4.1582 4.1582 4.2751 4.2751 4.3108 4.3108 4.4021 4.4021 4.6704 4.6704 4.6986 4.6986 4.7717 4.7717 4.9497 4.9497 5.0219 5.0219 5.0323 5.0323 5.1769 5.1769 5.1980 5.1980 5.5477 5.5477 5.6065 5.6065 5.8953 5.8953 6.4766 6.4766 6.5055 6.5055 8.0075 8.0075 8.2234 8.2234 9.0185 9.0185 9.2588 9.2588 9.3702 9.3702 10.0291 10.0291 10.5782 10.5782 11.4079 11.4079 11.4503 11.4503 11.7338 11.7338 11.7411 11.7411 12.5763 12.5763 13.0269 13.0269 k = 0.0000 0.0000 0.0000 ( 6815 PWs) bands (ev): -31.3979 -31.3979 -31.3847 -31.3847 -31.3847 -31.3847 -12.7162 -12.7162 -12.7065 -12.7065 -12.6569 -12.6569 -12.3675 -12.3675 -12.3585 -12.3585 -12.3059 -12.3059 -12.2896 -12.2896 -12.2774 -12.2774 -12.2522 -12.2522 -1.8199 -1.8199 -1.1149 -1.1149 -0.7330 -0.7330 3.8081 3.8081 4.0038 4.0038 4.1579 4.1579 4.2756 4.2756 4.3109 4.3109 4.4022 4.4022 4.6743 4.6743 4.6967 4.6967 4.7722 4.7722 4.9514 4.9514 5.0258 5.0258 5.0282 5.0282 5.1796 5.1796 5.1965 5.1965 5.5483 5.5483 5.6074 5.6074 5.8961 5.8961 6.4699 6.4699 6.4983 6.4983 8.0067 8.0067 8.2236 8.2236 9.0572 9.0572 9.2404 9.2404 9.3511 9.3511 10.0336 10.0336 10.5775 10.5775 11.4087 11.4087 11.4511 11.4511 11.7303 11.7303 11.7367 11.7367 12.5725 12.5725 13.0654 13.0654 k = 0.0000 0.0000 0.0000 ( 6815 PWs) bands (ev): -31.3979 -31.3979 -31.3847 -31.3847 -31.3847 -31.3847 -12.7162 -12.7162 -12.7065 -12.7065 -12.6569 -12.6569 -12.3675 -12.3675 -12.3585 -12.3585 -12.3059 -12.3059 -12.2896 -12.2896 -12.2774 -12.2774 -12.2522 -12.2522 -1.8199 -1.8199 -1.1149 -1.1149 -0.7330 -0.7330 3.8081 3.8081 4.0038 4.0038 4.1579 4.1579 4.2756 4.2756 4.3109 4.3109 4.4022 4.4022 4.6743 4.6743 4.6967 4.6967 4.7722 4.7722 4.9514 4.9514 5.0258 5.0258 5.0282 5.0282 5.1796 5.1796 5.1965 5.1965 5.5483 5.5483 5.6074 5.6074 5.8961 5.8961 6.4699 6.4699 6.4983 6.4983 8.0067 8.0067 8.2236 8.2236 9.0572 9.0572 9.2404 9.2404 9.3511 9.3511 10.0336 10.0336 10.5775 10.5775 11.4087 11.4087 11.4511 11.4511 11.7303 11.7303 11.7367 11.7367 12.5725 12.5725 13.0654 13.0654 k = 0.0000 0.0000 0.0228 ( 6797 PWs) bands (ev): -31.3979 -31.3979 -31.3847 -31.3847 -31.3847 -31.3847 -12.7161 -12.7161 -12.7066 -12.7065 -12.6569 -12.6569 -12.3675 -12.3675 -12.3584 -12.3584 -12.3060 -12.3059 -12.2896 -12.2896 -12.2774 -12.2774 -12.2522 -12.2521 -1.8190 -1.8190 -1.1145 -1.1145 -0.7330 -0.7330 3.8080 3.8080 4.0036 4.0046 4.1582 4.1582 4.2758 4.2758 4.3015 4.3212 4.4028 4.4028 4.6733 4.6733 4.6977 4.6977 4.7560 4.7882 4.9478 4.9552 5.0257 5.0257 5.0281 5.0281 5.1797 5.1797 5.1962 5.1968 5.5485 5.5485 5.6073 5.6082 5.8961 5.8961 6.4714 6.4714 6.4974 6.5019 7.9971 7.9971 8.2217 8.2217 9.0502 9.0502 9.2390 9.2390 9.3480 9.3508 10.0322 10.0322 10.5895 10.5895 11.4059 11.4059 11.4462 11.4485 11.7331 11.7331 11.7399 11.7409 12.5824 12.5824 13.0683 13.0683 k = 0.0000 0.0000 0.0456 ( 6809 PWs) bands (ev): -31.3979 -31.3979 -31.3847 -31.3847 -31.3847 -31.3847 -12.7161 -12.7161 -12.7066 -12.7065 -12.6571 -12.6571 -12.3674 -12.3674 -12.3585 -12.3585 -12.3062 -12.3060 -12.2898 -12.2898 -12.2776 -12.2776 -12.2522 -12.2522 -1.8164 -1.8164 -1.1135 -1.1135 -0.7332 -0.7332 3.8075 3.8075 4.0039 4.0060 4.1590 4.1590 4.2762 4.2762 4.2929 4.3323 4.4043 4.4043 4.6707 4.6707 4.7003 4.7003 4.7397 4.8039 4.9442 4.9590 5.0252 5.0252 5.0277 5.0277 5.1800 5.1800 5.1960 5.1972 5.5491 5.5491 5.6078 5.6097 5.8960 5.8960 6.4760 6.4760 6.4991 6.5081 7.9686 7.9686 8.2160 8.2160 9.0292 9.0292 9.2347 9.2347 9.3415 9.3472 10.0294 10.0294 10.6238 10.6238 11.3978 11.3978 11.4345 11.4389 11.7411 11.7411 11.7499 11.7516 12.6116 12.6116 13.0768 13.0768 k = 0.0000 0.0000 0.0684 ( 6803 PWs) bands (ev): -31.3978 -31.3978 -31.3847 -31.3847 -31.3847 -31.3847 -12.7161 -12.7161 -12.7067 -12.7064 -12.6572 -12.6572 -12.3674 -12.3674 -12.3584 -12.3584 -12.3065 -12.3061 -12.2900 -12.2900 -12.2779 -12.2779 -12.2522 -12.2522 -1.8120 -1.8120 -1.1117 -1.1117 -0.7335 -0.7335 3.8068 3.8068 4.0048 4.0080 4.1603 4.1603 4.2770 4.2770 4.2850 4.3443 4.4068 4.4068 4.6671 4.6671 4.7038 4.7038 4.7233 4.8194 4.9408 4.9628 5.0243 5.0243 5.0272 5.0272 5.1804 5.1804 5.1958 5.1975 5.5500 5.5500 5.6091 5.6118 5.8958 5.8958 6.4835 6.4835 6.5036 6.5169 7.9228 7.9228 8.2067 8.2067 8.9941 8.9941 9.2272 9.2272 9.3316 9.3401 10.0289 10.0289 10.6764 10.6764 11.3854 11.3854 11.4177 11.4238 11.7533 11.7533 11.7653 11.7673 12.6594 12.6594 13.0704 13.0704 k = 0.0000 0.0000 0.0912 ( 6785 PWs) bands (ev): -31.3978 -31.3978 -31.3847 -31.3847 -31.3847 -31.3847 -12.7161 -12.7161 -12.7068 -12.7064 -12.6575 -12.6575 -12.3673 -12.3673 -12.3584 -12.3584 -12.3068 -12.3063 -12.2902 -12.2902 -12.2782 -12.2782 -12.2522 -12.2521 -1.8058 -1.8058 -1.1092 -1.1092 -0.7339 -0.7339 3.8057 3.8057 4.0062 4.0105 4.1621 4.1621 4.2779 4.2780 4.2780 4.3571 4.4102 4.4102 4.6629 4.6629 4.7070 4.7079 4.7079 4.8346 4.9376 4.9667 5.0230 5.0230 5.0267 5.0267 5.1809 5.1809 5.1957 5.1979 5.5514 5.5514 5.6111 5.6144 5.8956 5.8956 6.4939 6.4939 6.5109 6.5282 7.8618 7.8618 8.1938 8.1938 8.9451 8.9451 9.2163 9.2163 9.3181 9.3295 10.0338 10.0338 10.7430 10.7430 11.3698 11.3698 11.3974 11.4049 11.7687 11.7687 11.7843 11.7865 12.7245 12.7245 13.0422 13.0422 k = 0.0000 0.0000 0.1140 ( 6785 PWs) bands (ev): -31.3978 -31.3978 -31.3846 -31.3846 -31.3846 -31.3846 -12.7161 -12.7161 -12.7069 -12.7064 -12.6577 -12.6577 -12.3672 -12.3672 -12.3584 -12.3584 -12.3073 -12.3067 -12.2906 -12.2906 -12.2787 -12.2787 -12.2523 -12.2521 -1.7979 -1.7979 -1.1061 -1.1061 -0.7345 -0.7345 3.8042 3.8042 4.0081 4.0136 4.1643 4.1643 4.2713 4.2794 4.2794 4.3705 4.4146 4.4146 4.6583 4.6583 4.6909 4.7124 4.7124 4.8496 4.9347 4.9704 5.0213 5.0213 5.0261 5.0261 5.1817 5.1817 5.1957 5.1981 5.5532 5.5532 5.6139 5.6177 5.8953 5.8953 6.5072 6.5072 6.5209 6.5419 7.7881 7.7881 8.1775 8.1775 8.8830 8.8830 9.2018 9.2018 9.3009 9.3154 10.0458 10.0458 10.8200 10.8200 11.3522 11.3522 11.3753 11.3839 11.7861 11.7861 11.8054 11.8076 12.8052 12.8052 13.0049 13.0049 k = 0.0000 0.0000 0.1368 ( 6809 PWs) bands (ev): -31.3978 -31.3978 -31.3846 -31.3846 -31.3846 -31.3846 -12.7162 -12.7162 -12.7070 -12.7065 -12.6581 -12.6581 -12.3672 -12.3672 -12.3584 -12.3584 -12.3078 -12.3071 -12.2912 -12.2912 -12.2793 -12.2793 -12.2523 -12.2522 -1.7884 -1.7884 -1.1023 -1.1023 -0.7351 -0.7351 3.8024 3.8024 4.0104 4.0171 4.1669 4.1669 4.2652 4.2810 4.2810 4.3845 4.4197 4.4197 4.6535 4.6535 4.6753 4.7170 4.7170 4.8643 4.9319 4.9741 5.0193 5.0193 5.0254 5.0254 5.1825 5.1825 5.1958 5.1983 5.5556 5.5556 5.6175 5.6215 5.8950 5.8950 6.5232 6.5232 6.5336 6.5580 7.7039 7.7039 8.1581 8.1581 8.8093 8.8093 9.1835 9.1835 9.2801 9.2977 10.0654 10.0654 10.9044 10.9044 11.3335 11.3335 11.3525 11.3618 11.8046 11.8046 11.8273 11.8294 12.8992 12.8992 12.9600 12.9600 k = 0.0000 0.0000 0.1596 ( 6809 PWs) bands (ev): -31.3977 -31.3977 -31.3846 -31.3846 -31.3846 -31.3846 -12.7162 -12.7162 -12.7072 -12.7066 -12.6585 -12.6585 -12.3671 -12.3671 -12.3584 -12.3584 -12.3084 -12.3076 -12.2917 -12.2917 -12.2799 -12.2799 -12.2523 -12.2522 -1.7771 -1.7771 -1.0980 -1.0980 -0.7359 -0.7359 3.8003 3.8003 4.0132 4.0211 4.1698 4.1698 4.2597 4.2830 4.2830 4.3987 4.4257 4.4257 4.6486 4.6486 4.6605 4.7218 4.7218 4.8789 4.9295 4.9778 5.0171 5.0171 5.0247 5.0247 5.1836 5.1836 5.1960 5.1984 5.5585 5.5585 5.6219 5.6260 5.8946 5.8946 6.5419 6.5419 6.5491 6.5765 7.6116 7.6116 8.1359 8.1359 8.7261 8.7261 9.1614 9.1614 9.2553 9.2762 10.0921 10.0921 10.9943 10.9943 11.3146 11.3146 11.3298 11.3397 11.8233 11.8233 11.8493 11.8513 12.9065 12.9065 12.9508 12.9660 k = 0.0000 0.0000 0.1824 ( 6815 PWs) bands (ev): -31.3977 -31.3977 -31.3846 -31.3845 -31.3845 -31.3845 -12.7162 -12.7162 -12.7073 -12.7067 -12.6590 -12.6590 -12.3670 -12.3670 -12.3585 -12.3585 -12.3091 -12.3082 -12.2923 -12.2923 -12.2806 -12.2806 -12.2524 -12.2522 -1.7643 -1.7643 -1.0930 -1.0930 -0.7367 -0.7367 3.7979 3.7979 4.0163 4.0255 4.1731 4.1731 4.2545 4.2853 4.2853 4.4126 4.4324 4.4324 4.6435 4.6435 4.6472 4.7268 4.7268 4.8934 4.9274 4.9813 5.0149 5.0149 5.0240 5.0240 5.1848 5.1848 5.1964 5.1984 5.5620 5.5620 5.6272 5.6312 5.8942 5.8942 6.5632 6.5632 6.5673 6.5972 7.5130 7.5130 8.1109 8.1109 8.6353 8.6353 9.1354 9.1354 9.2267 9.2509 10.1248 10.1248 11.0879 11.0879 11.2960 11.2960 11.3079 11.3182 11.8415 11.8415 11.8705 11.8725 12.8508 12.8508 12.8935 12.9076 k = 0.0000 0.0000 0.2052 ( 6827 PWs) bands (ev): -31.3976 -31.3976 -31.3845 -31.3845 -31.3845 -31.3845 -12.7162 -12.7162 -12.7075 -12.7068 -12.6595 -12.6595 -12.3669 -12.3669 -12.3585 -12.3585 -12.3099 -12.3088 -12.2930 -12.2930 -12.2815 -12.2815 -12.2524 -12.2522 -1.7500 -1.7500 -1.0876 -1.0876 -0.7377 -0.7377 3.7951 3.7951 4.0197 4.0302 4.1766 4.1766 4.2497 4.2879 4.2879 4.4256 4.4397 4.4397 4.6359 4.6384 4.6384 4.7319 4.7319 4.9078 4.9256 4.9848 5.0127 5.0127 5.0233 5.0233 5.1862 5.1862 5.1968 5.1982 5.5663 5.5663 5.6334 5.6370 5.8938 5.8938 6.5869 6.5869 6.5881 6.6200 7.4097 7.4097 8.0837 8.0837 8.5387 8.5387 9.1056 9.1056 9.1940 9.2216 10.1627 10.1627 11.1840 11.1840 11.2784 11.2784 11.2873 11.2979 11.8586 11.8586 11.8903 11.8923 12.7928 12.7928 12.8342 12.8469 k = 0.0000 0.0000 0.2280 ( 6827 PWs) bands (ev): -31.3976 -31.3976 -31.3845 -31.3845 -31.3845 -31.3845 -12.7163 -12.7163 -12.7077 -12.7069 -12.6601 -12.6601 -12.3668 -12.3668 -12.3585 -12.3585 -12.3107 -12.3095 -12.2937 -12.2937 -12.2823 -12.2823 -12.2525 -12.2522 -1.7342 -1.7342 -1.0817 -1.0817 -0.7387 -0.7387 3.7920 3.7920 4.0234 4.0352 4.1804 4.1804 4.2452 4.2909 4.2909 4.4367 4.4473 4.4473 4.6278 4.6335 4.6335 4.7371 4.7371 4.9219 4.9246 4.9883 5.0107 5.0107 5.0225 5.0225 5.1879 5.1879 5.1975 5.1979 5.5713 5.5713 5.6406 5.6436 5.8934 5.8934 6.6115 6.6128 6.6128 6.6449 7.3031 7.3031 8.0544 8.0544 8.4379 8.4379 9.0718 9.0718 9.1572 9.1884 10.2051 10.2051 11.2615 11.2615 11.2683 11.2791 11.2819 11.2819 11.8738 11.8738 11.9080 11.9101 12.7348 12.7348 12.7746 12.7860 k = 0.0000 0.0000 0.2508 ( 6827 PWs) bands (ev): -31.3975 -31.3975 -31.3844 -31.3844 -31.3844 -31.3844 -12.7163 -12.7163 -12.7079 -12.7070 -12.6607 -12.6607 -12.3666 -12.3666 -12.3585 -12.3585 -12.3115 -12.3103 -12.2945 -12.2945 -12.2832 -12.2832 -12.2525 -12.2522 -1.7169 -1.7169 -1.0753 -1.0753 -0.7398 -0.7398 3.7885 3.7885 4.0274 4.0405 4.1842 4.1842 4.2408 4.2943 4.2943 4.4444 4.4550 4.4550 4.6240 4.6288 4.6288 4.7424 4.7424 4.9227 4.9369 4.9918 5.0089 5.0089 5.0218 5.0218 5.1897 5.1897 5.1975 5.1984 5.5773 5.5773 5.6488 5.6511 5.8929 5.8929 6.6373 6.6409 6.6409 6.6718 7.1946 7.1946 8.0234 8.0234 8.3345 8.3345 9.0341 9.0341 9.1164 9.1512 10.2514 10.2514 11.2470 11.2470 11.2513 11.2621 11.3795 11.3795 11.8864 11.8864 11.9229 11.9253 12.6784 12.6784 12.7163 12.7265 k = 0.0000 0.0000 0.2736 ( 6821 PWs) bands (ev): -31.3974 -31.3974 -31.3843 -31.3843 -31.3843 -31.3843 -12.7163 -12.7163 -12.7080 -12.7071 -12.6613 -12.6613 -12.3665 -12.3665 -12.3586 -12.3586 -12.3124 -12.3111 -12.2953 -12.2953 -12.2841 -12.2841 -12.2525 -12.2522 -1.6983 -1.6983 -1.0687 -1.0687 -0.7410 -0.7410 3.7849 3.7849 4.0316 4.0459 4.1882 4.1882 4.2365 4.2980 4.2980 4.4478 4.4625 4.4625 4.6245 4.6245 4.6258 4.7477 4.7477 4.9217 4.9514 4.9953 5.0074 5.0074 5.0211 5.0211 5.1917 5.1917 5.1969 5.1995 5.5843 5.5843 5.6580 5.6595 5.8924 5.8924 6.6655 6.6710 6.6710 6.7006 7.0849 7.0849 7.9908 7.9908 8.2295 8.2295 8.9925 8.9925 9.0715 9.1099 10.3012 10.3012 11.2338 11.2338 11.2363 11.2471 11.4770 11.4770 11.8957 11.8957 11.9342 11.9370 12.6252 12.6252 12.6609 12.6699 k = 0.0000 0.0000 0.2964 ( 6845 PWs) bands (ev): -31.3974 -31.3974 -31.3843 -31.3843 -31.3843 -31.3843 -12.7164 -12.7164 -12.7083 -12.7073 -12.6620 -12.6620 -12.3664 -12.3664 -12.3587 -12.3587 -12.3134 -12.3121 -12.2963 -12.2963 -12.2851 -12.2851 -12.2525 -12.2522 -1.6785 -1.6785 -1.0617 -1.0617 -0.7423 -0.7423 3.7809 3.7809 4.0358 4.0514 4.1923 4.1923 4.2323 4.3020 4.3020 4.4463 4.4694 4.4694 4.6210 4.6210 4.6334 4.7529 4.7529 4.9208 4.9659 4.9988 5.0063 5.0063 5.0205 5.0205 5.1938 5.1938 5.1961 5.2008 5.5926 5.5926 5.6683 5.6690 5.8919 5.8919 6.6960 6.7029 6.7029 6.7312 6.9751 6.9751 7.9568 7.9568 8.1242 8.1242 8.9471 8.9471 9.0226 9.0647 10.3543 10.3543 11.2224 11.2224 11.2234 11.2342 11.5735 11.5735 11.9008 11.9008 11.9408 11.9443 12.5767 12.5767 12.6099 12.6177 k = 0.0000 0.0000 0.3192 ( 6821 PWs) bands (ev): -31.3973 -31.3973 -31.3842 -31.3842 -31.3842 -31.3842 -12.7164 -12.7164 -12.7085 -12.7074 -12.6627 -12.6627 -12.3662 -12.3662 -12.3587 -12.3587 -12.3143 -12.3129 -12.2971 -12.2971 -12.2861 -12.2861 -12.2525 -12.2522 -1.6574 -1.6574 -1.0546 -1.0546 -0.7436 -0.7436 3.7768 3.7768 4.0403 4.0571 4.1963 4.1963 4.2283 4.3064 4.3064 4.4404 4.4755 4.4755 4.6184 4.6184 4.6463 4.7580 4.7580 4.9202 4.9805 5.0025 5.0056 5.0056 5.0201 5.0201 5.1952 5.1962 5.1962 5.2025 5.6021 5.6021 5.6797 5.6798 5.8913 5.8913 6.7286 6.7364 6.7364 6.7634 6.8659 6.8659 7.9210 7.9210 8.0202 8.0202 8.8980 8.8980 8.9699 9.0157 10.4105 10.4105 11.2126 11.2129 11.2129 11.2233 11.6681 11.6681 11.9011 11.9011 11.9421 11.9466 12.5341 12.5341 12.5645 12.5710 k = 0.0000 0.0000 0.3420 ( 6833 PWs) bands (ev): -31.3972 -31.3972 -31.3842 -31.3842 -31.3842 -31.3842 -12.7165 -12.7165 -12.7087 -12.7076 -12.6635 -12.6635 -12.3661 -12.3661 -12.3588 -12.3588 -12.3154 -12.3139 -12.2980 -12.2980 -12.2872 -12.2872 -12.2525 -12.2522 -1.6353 -1.6353 -1.0473 -1.0473 -0.7450 -0.7450 3.7724 3.7724 4.0448 4.0626 4.2003 4.2003 4.2242 4.3112 4.3112 4.4312 4.4801 4.4801 4.6171 4.6171 4.6631 4.7630 4.7630 4.9196 4.9949 5.0052 5.0052 5.0065 5.0199 5.0199 5.1942 5.1987 5.1987 5.2045 5.6132 5.6132 5.6917 5.6925 5.8905 5.8905 6.7575 6.7575 6.7632 6.7720 6.7720 6.7971 7.8776 7.8776 7.9239 7.9239 8.8454 8.8454 8.9135 8.9630 10.4695 10.4695 11.2039 11.2052 11.2052 11.2145 11.7594 11.7594 11.8967 11.8967 11.9371 11.9427 12.4983 12.4983 12.5256 12.5310 k = 0.0000 0.0000 0.3648 ( 6833 PWs) bands (ev): -31.3971 -31.3971 -31.3841 -31.3841 -31.3841 -31.3841 -12.7166 -12.7166 -12.7089 -12.7078 -12.6643 -12.6643 -12.3660 -12.3660 -12.3589 -12.3589 -12.3164 -12.3149 -12.2989 -12.2989 -12.2882 -12.2882 -12.2525 -12.2522 -1.6123 -1.6123 -1.0400 -1.0400 -0.7464 -0.7464 3.7678 3.7678 4.0493 4.0682 4.2043 4.2043 4.2201 4.3164 4.3164 4.4197 4.4831 4.4831 4.6172 4.6172 4.6828 4.7677 4.7677 4.9191 5.0050 5.0050 5.0091 5.0107 5.0201 5.0201 5.1930 5.2015 5.2015 5.2070 5.6258 5.6258 5.7052 5.7066 5.8896 5.8896 6.6520 6.6520 6.7995 6.8078 6.8078 6.8321 7.7983 7.7983 7.8646 7.8646 8.7894 8.7894 8.8537 8.9068 10.5315 10.5315 11.1970 11.1992 11.1992 11.2076 11.8393 11.8393 11.8953 11.8953 11.9253 11.9323 12.4697 12.4697 12.4941 12.4982 k = 0.0000 0.0000 0.3876 ( 6827 PWs) bands (ev): -31.3971 -31.3971 -31.3840 -31.3840 -31.3840 -31.3840 -12.7166 -12.7166 -12.7091 -12.7080 -12.6651 -12.6651 -12.3658 -12.3658 -12.3590 -12.3590 -12.3175 -12.3160 -12.2999 -12.2999 -12.2892 -12.2892 -12.2524 -12.2521 -1.5884 -1.5884 -1.0327 -1.0327 -0.7478 -0.7478 3.7632 3.7632 4.0539 4.0736 4.2082 4.2082 4.2161 4.3219 4.3219 4.4069 4.4843 4.4843 4.6188 4.6188 4.7042 4.7721 4.7721 4.9186 5.0051 5.0051 5.0155 5.0208 5.0208 5.0229 5.1917 5.2043 5.2043 5.2098 5.6403 5.6403 5.7205 5.7220 5.8885 5.8885 6.5486 6.5486 6.8374 6.8451 6.8451 6.8684 7.7000 7.7000 7.8262 7.8262 8.7303 8.7303 8.7906 8.8474 10.5962 10.5962 11.1919 11.1948 11.1948 11.2025 11.8530 11.8530 11.9068 11.9154 11.9512 11.9512 12.4483 12.4483 12.4698 12.4726 k = 0.0000 0.0000 0.4104 ( 6839 PWs) bands (ev): -31.3970 -31.3970 -31.3840 -31.3840 -31.3840 -31.3840 -12.7167 -12.7167 -12.7093 -12.7082 -12.6659 -12.6659 -12.3657 -12.3657 -12.3591 -12.3591 -12.3186 -12.3171 -12.3008 -12.3008 -12.2902 -12.2902 -12.2524 -12.2521 -1.5638 -1.5638 -1.0255 -1.0255 -0.7492 -0.7492 3.7584 3.7584 4.0585 4.0789 4.2120 4.2120 4.2121 4.3278 4.3278 4.3931 4.4836 4.4836 4.6219 4.6219 4.7263 4.7760 4.7760 4.9182 5.0051 5.0051 5.0209 5.0222 5.0222 5.0360 5.1904 5.2073 5.2073 5.2132 5.6568 5.6568 5.7375 5.7390 5.8870 5.8870 6.4485 6.4485 6.8767 6.8832 6.8832 6.9056 7.6013 7.6013 7.7909 7.7909 8.6684 8.6684 8.7248 8.7849 10.6635 10.6635 11.1882 11.1918 11.1918 11.1989 11.8323 11.8323 11.8821 11.8923 12.0332 12.0332 12.4332 12.4332 12.4520 12.4537 k = 0.0000 0.0000 0.4332 ( 6827 PWs) bands (ev): -31.3969 -31.3969 -31.3839 -31.3839 -31.3839 -31.3839 -12.7168 -12.7168 -12.7095 -12.7084 -12.6667 -12.6667 -12.3656 -12.3656 -12.3592 -12.3592 -12.3196 -12.3181 -12.3017 -12.3017 -12.2912 -12.2912 -12.2523 -12.2520 -1.5385 -1.5385 -1.0186 -1.0186 -0.7507 -0.7507 3.7537 3.7537 4.0630 4.0841 4.2081 4.2157 4.2157 4.3341 4.3341 4.3790 4.4813 4.4813 4.6260 4.6260 4.7485 4.7794 4.7794 4.9178 5.0051 5.0051 5.0243 5.0243 5.0270 5.0485 5.1890 5.2105 5.2105 5.2171 5.6753 5.6753 5.7566 5.7575 5.8849 5.8849 6.3523 6.3523 6.9172 6.9217 6.9217 6.9436 7.5046 7.5046 7.7569 7.7569 8.6040 8.6040 8.6563 8.7199 10.7335 10.7335 11.1859 11.1902 11.1902 11.1967 11.8046 11.8046 11.8524 11.8643 12.1147 12.1147 12.4232 12.4232 12.4396 12.4402 k = 0.0000 0.0000 0.4560 ( 6809 PWs) bands (ev): -31.3968 -31.3968 -31.3838 -31.3838 -31.3838 -31.3838 -12.7168 -12.7168 -12.7097 -12.7086 -12.6675 -12.6675 -12.3654 -12.3654 -12.3593 -12.3593 -12.3206 -12.3191 -12.3026 -12.3026 -12.2922 -12.2922 -12.2523 -12.2520 -1.5128 -1.5128 -1.0120 -1.0120 -0.7522 -0.7522 3.7489 3.7489 4.0675 4.0890 4.2043 4.2193 4.2193 4.3407 4.3407 4.3648 4.4776 4.4776 4.6310 4.6310 4.7701 4.7822 4.7822 4.9173 5.0049 5.0049 5.0271 5.0271 5.0341 5.0600 5.1877 5.2137 5.2137 5.2215 5.6960 5.6960 5.7777 5.7778 5.8818 5.8818 6.2609 6.2609 6.9587 6.9602 6.9602 6.9823 7.4110 7.4110 7.7239 7.7239 8.5375 8.5375 8.5858 8.6525 10.8060 10.8060 11.1846 11.1896 11.1896 11.1957 11.7731 11.7731 11.8190 11.8325 12.1937 12.1937 12.4171 12.4171 12.4308 12.4312 k = 0.0000 0.0000 0.4788 ( 6779 PWs) bands (ev): -31.3967 -31.3967 -31.3837 -31.3837 -31.3837 -31.3837 -12.7168 -12.7168 -12.7099 -12.7088 -12.6684 -12.6684 -12.3653 -12.3653 -12.3595 -12.3595 -12.3216 -12.3201 -12.3034 -12.3034 -12.2931 -12.2931 -12.2522 -12.2519 -1.4868 -1.4868 -1.0058 -1.0058 -0.7536 -0.7536 3.7443 3.7443 4.0719 4.0936 4.2006 4.2227 4.2227 4.3477 4.3477 4.3507 4.4730 4.4730 4.6365 4.6365 4.7842 4.7842 4.7907 4.9169 5.0046 5.0046 5.0306 5.0306 5.0422 5.0704 5.1864 5.2169 5.2169 5.2264 5.7189 5.7189 5.7997 5.8012 5.8768 5.8768 6.1757 6.1757 6.9980 6.9980 7.0008 7.0213 7.3214 7.3214 7.6920 7.6920 8.4691 8.4691 8.5134 8.5832 10.8809 10.8809 11.1840 11.1900 11.1900 11.1955 11.7392 11.7392 11.7830 11.7982 12.2692 12.2692 12.4138 12.4138 12.4242 12.4253 k = 0.0000 0.0000 0.5016 ( 6780 PWs) bands (ev): -31.3966 -31.3966 -31.3837 -31.3837 -31.3837 -31.3837 -12.7169 -12.7169 -12.7101 -12.7090 -12.6692 -12.6692 -12.3652 -12.3652 -12.3596 -12.3596 -12.3226 -12.3212 -12.3042 -12.3042 -12.2940 -12.2940 -12.2522 -12.2519 -1.4605 -1.4605 -1.0000 -1.0000 -0.7550 -0.7550 3.7397 3.7397 4.0761 4.0980 4.1970 4.2259 4.2259 4.3367 4.3549 4.3549 4.4677 4.4677 4.6420 4.6420 4.7854 4.7854 4.8095 4.9163 5.0041 5.0041 5.0346 5.0346 5.0515 5.0797 5.1852 5.2200 5.2200 5.2316 5.7439 5.7439 5.8234 5.8268 5.8683 5.8683 6.0987 6.0987 7.0329 7.0329 7.0434 7.0604 7.2378 7.2378 7.6613 7.6613 8.3994 8.3994 8.4398 8.5124 10.9578 10.9578 11.1840 11.1913 11.1913 11.1960 11.7040 11.7040 11.7456 11.7624 12.3401 12.3401 12.4128 12.4128 12.4190 12.4208 k = 0.0000 0.0000 0.5244 ( 6774 PWs) bands (ev): -31.3966 -31.3966 -31.3836 -31.3836 -31.3836 -31.3836 -12.7170 -12.7170 -12.7103 -12.7093 -12.6700 -12.6700 -12.3651 -12.3651 -12.3598 -12.3598 -12.3236 -12.3222 -12.3051 -12.3051 -12.2948 -12.2948 -12.2521 -12.2518 -1.4343 -1.4343 -0.9949 -0.9949 -0.7564 -0.7564 3.7352 3.7352 4.0802 4.1020 4.1937 4.2290 4.2290 4.3231 4.3625 4.3625 4.4619 4.4619 4.6474 4.6474 4.7855 4.7855 4.8264 4.9158 5.0035 5.0035 5.0388 5.0388 5.0618 5.0877 5.1842 5.2229 5.2229 5.2370 5.7709 5.7709 5.8490 5.8531 5.8531 5.8545 6.0338 6.0338 7.0560 7.0560 7.0861 7.0993 7.1695 7.1695 7.6321 7.6321 8.3288 8.3288 8.3653 8.4405 11.0361 11.0361 11.1844 11.1939 11.1939 11.1970 11.6684 11.6684 11.7077 11.7260 12.3943 12.3943 12.4144 12.4168 12.4251 12.4251 k = 0.0000 0.0000 0.5472 ( 6822 PWs) bands (ev): -31.3965 -31.3965 -31.3836 -31.3836 -31.3836 -31.3836 -12.7172 -12.7172 -12.7106 -12.7096 -12.6708 -12.6708 -12.3651 -12.3651 -12.3600 -12.3600 -12.3246 -12.3233 -12.3059 -12.3059 -12.2957 -12.2957 -12.2521 -12.2519 -1.4082 -1.4082 -0.9904 -0.9904 -0.7577 -0.7577 3.7309 3.7309 4.0842 4.1056 4.1905 4.2319 4.2319 4.3099 4.3702 4.3702 4.4559 4.4559 4.6525 4.6525 4.7846 4.7846 4.8410 4.9151 5.0028 5.0028 5.0431 5.0431 5.0729 5.0946 5.1835 5.2254 5.2254 5.2424 5.7983 5.7983 5.8276 5.8276 5.8764 5.8843 5.9864 5.9864 7.0321 7.0321 7.1287 7.1378 7.1513 7.1513 7.6044 7.6044 8.2577 8.2577 8.2903 8.3680 11.1132 11.1132 11.1849 11.1982 11.2002 11.2002 11.6329 11.6329 11.6698 11.6896 12.4013 12.4013 12.4098 12.4125 12.4799 12.4799 k = 0.0000 0.0000 0.5700 ( 6846 PWs) bands (ev): -31.3964 -31.3964 -31.3835 -31.3835 -31.3835 -31.3835 -12.7173 -12.7173 -12.7108 -12.7099 -12.6716 -12.6716 -12.3651 -12.3651 -12.3603 -12.3603 -12.3255 -12.3243 -12.3067 -12.3067 -12.2964 -12.2964 -12.2521 -12.2518 -1.3824 -1.3824 -0.9866 -0.9866 -0.7590 -0.7590 3.7268 3.7268 4.0880 4.1088 4.1878 4.2346 4.2346 4.2973 4.3781 4.3781 4.4499 4.4499 4.6573 4.6573 4.7826 4.7826 4.8535 4.9144 5.0021 5.0021 5.0475 5.0475 5.0845 5.1005 5.1833 5.2276 5.2276 5.2476 5.7826 5.7826 5.8335 5.8335 5.9056 5.9160 5.9584 5.9584 6.9694 6.9694 7.1709 7.1753 7.1753 7.1755 7.5784 7.5784 8.1868 8.1868 8.2155 8.2954 11.1697 11.1698 11.1855 11.1995 11.2293 11.2293 11.5981 11.5981 11.6326 11.6537 12.3995 12.3995 12.4048 12.4079 12.5383 12.5383 k = 0.0000 0.0000 0.5928 ( 6846 PWs) bands (ev): -31.3964 -31.3964 -31.3835 -31.3835 -31.3835 -31.3835 -12.7174 -12.7174 -12.7110 -12.7101 -12.6723 -12.6723 -12.3650 -12.3650 -12.3605 -12.3605 -12.3264 -12.3252 -12.3074 -12.3074 -12.2971 -12.2971 -12.2520 -12.2518 -1.3572 -1.3572 -0.9836 -0.9836 -0.7603 -0.7603 3.7230 3.7230 4.0916 4.1116 4.1855 4.2372 4.2372 4.2852 4.3862 4.3862 4.4442 4.4442 4.6616 4.6616 4.7794 4.7794 4.8640 4.9137 5.0015 5.0015 5.0519 5.0519 5.0961 5.1055 5.1840 5.2291 5.2291 5.2526 5.7358 5.7358 5.8641 5.8641 5.9362 5.9449 5.9449 5.9491 6.9016 6.9016 7.2076 7.2076 7.2122 7.2124 7.5543 7.5543 8.1165 8.1165 8.1414 8.2232 11.1847 11.1847 11.1860 11.2008 11.3019 11.3019 11.5644 11.5644 11.5965 11.6188 12.3961 12.3961 12.3994 12.4027 12.5921 12.5921 k = 0.0000 0.0000 0.6156 ( 6852 PWs) bands (ev): -31.3963 -31.3963 -31.3834 -31.3834 -31.3834 -31.3834 -12.7175 -12.7175 -12.7112 -12.7103 -12.6730 -12.6730 -12.3650 -12.3650 -12.3607 -12.3607 -12.3272 -12.3261 -12.3080 -12.3080 -12.2977 -12.2977 -12.2520 -12.2518 -1.3326 -1.3326 -0.9814 -0.9814 -0.7614 -0.7614 3.7195 3.7195 4.0950 4.1140 4.1837 4.2395 4.2395 4.2738 4.3942 4.3942 4.4390 4.4390 4.6654 4.6654 4.7750 4.7750 4.8726 4.9130 5.0008 5.0008 5.0562 5.0562 5.1070 5.1098 5.1857 5.2300 5.2300 5.2570 5.6878 5.6878 5.8937 5.8937 5.9414 5.9414 5.9682 5.9834 6.8361 6.8361 7.2405 7.2405 7.2477 7.2530 7.5322 7.5322 8.0475 8.0475 8.0684 8.1519 11.1865 11.1892 11.1892 11.2022 11.3868 11.3868 11.5319 11.5319 11.5618 11.5851 12.3916 12.3916 12.3935 12.3969 12.6394 12.6394 k = 0.0000 0.0000 0.6384 ( 6858 PWs) bands (ev): -31.3963 -31.3963 -31.3834 -31.3834 -31.3834 -31.3834 -12.7176 -12.7176 -12.7113 -12.7105 -12.6737 -12.6737 -12.3650 -12.3650 -12.3608 -12.3608 -12.3279 -12.3269 -12.3086 -12.3086 -12.2983 -12.2983 -12.2519 -12.2517 -1.3089 -1.3089 -0.9801 -0.9801 -0.7625 -0.7625 3.7163 3.7163 4.0982 4.1160 4.1823 4.2417 4.2417 4.2630 4.4018 4.4018 4.4347 4.4347 4.6686 4.6686 4.7695 4.7695 4.8796 4.9123 5.0001 5.0001 5.0601 5.0601 5.1134 5.1163 5.1891 5.2299 5.2299 5.2607 5.6431 5.6431 5.9129 5.9129 5.9527 5.9527 6.0011 6.0182 6.7749 6.7749 7.2722 7.2722 7.2816 7.2924 7.5122 7.5122 7.9805 7.9805 7.9974 8.0821 11.1871 11.1919 11.1919 11.2034 11.4743 11.4743 11.5016 11.5016 11.5288 11.5529 12.3866 12.3866 12.3873 12.3908 12.6784 12.6784 k = 0.0000 0.0000 0.6612 ( 6834 PWs) bands (ev): -31.3962 -31.3962 -31.3833 -31.3833 -31.3833 -31.3833 -12.7176 -12.7176 -12.7114 -12.7107 -12.6742 -12.6742 -12.3649 -12.3649 -12.3610 -12.3610 -12.3285 -12.3276 -12.3091 -12.3091 -12.2988 -12.2988 -12.2519 -12.2517 -1.2864 -1.2864 -0.9795 -0.9795 -0.7635 -0.7635 3.7135 3.7135 4.1012 4.1175 4.1816 4.2437 4.2437 4.2529 4.4081 4.4081 4.4322 4.4322 4.6713 4.6713 4.7630 4.7630 4.8853 4.9116 4.9995 4.9995 5.0638 5.0638 5.1165 5.1237 5.1942 5.2290 5.2290 5.2637 5.6034 5.6034 5.9181 5.9181 5.9801 5.9801 6.0345 6.0528 6.7186 6.7186 7.3019 7.3019 7.3137 7.3304 7.4946 7.4946 7.9162 7.9162 7.9288 8.0145 11.1877 11.1941 11.1941 11.2045 11.4711 11.4711 11.4979 11.5223 11.5656 11.5656 12.3811 12.3812 12.3812 12.3846 12.7071 12.7071 k = 0.0000 0.0000 0.6840 ( 6840 PWs) bands (ev): -31.3961 -31.3961 -31.3833 -31.3833 -31.3833 -31.3833 -12.7177 -12.7177 -12.7115 -12.7109 -12.6748 -12.6748 -12.3649 -12.3649 -12.3612 -12.3612 -12.3291 -12.3283 -12.3095 -12.3095 -12.2993 -12.2993 -12.2518 -12.2517 -1.2653 -1.2653 -0.9798 -0.9798 -0.7643 -0.7643 3.7110 3.7110 4.1040 4.1186 4.1815 4.2435 4.2455 4.2455 4.4113 4.4113 4.4331 4.4331 4.6734 4.6734 4.7556 4.7556 4.8898 4.9109 4.9989 4.9989 5.0671 5.0671 5.1191 5.1287 5.2009 5.2270 5.2270 5.2659 5.5697 5.5697 5.9191 5.9191 6.0122 6.0122 6.0676 6.0866 6.6677 6.6677 7.3288 7.3288 7.3439 7.3667 7.4796 7.4796 7.8554 7.8554 7.8635 7.9496 11.1884 11.1963 11.1963 11.2056 11.4437 11.4437 11.4694 11.4937 11.6566 11.6566 12.3752 12.3757 12.3757 12.3785 12.7226 12.7226 k = 0.0000 0.0000 0.7068 ( 6864 PWs) bands (ev): -31.3961 -31.3961 -31.3832 -31.3832 -31.3832 -31.3832 -12.7178 -12.7178 -12.7117 -12.7111 -12.6753 -12.6753 -12.3649 -12.3649 -12.3613 -12.3613 -12.3297 -12.3289 -12.3100 -12.3100 -12.2997 -12.2997 -12.2518 -12.2516 -1.2458 -1.2458 -0.9808 -0.9808 -0.7651 -0.7651 3.7088 3.7088 4.1066 4.1193 4.1818 4.2347 4.2470 4.2470 4.4110 4.4110 4.4377 4.4377 4.6747 4.6747 4.7478 4.7478 4.8934 4.9101 4.9983 4.9983 5.0700 5.0700 5.1214 5.1318 5.2088 5.2242 5.2242 5.2671 5.5421 5.5421 5.9193 5.9193 6.0442 6.0442 6.0998 6.1186 6.6226 6.6226 7.3523 7.3523 7.3722 7.4014 7.4676 7.4676 7.7991 7.7991 7.8021 7.8880 11.1894 11.1986 11.1986 11.2065 11.4184 11.4184 11.4437 11.4672 11.7481 11.7481 12.3697 12.3704 12.3704 12.3727 12.7225 12.7225 k = 0.0000 0.0000 0.7296 ( 6864 PWs) bands (ev): -31.3961 -31.3961 -31.3832 -31.3832 -31.3832 -31.3832 -12.7178 -12.7178 -12.7117 -12.7113 -12.6757 -12.6757 -12.3649 -12.3649 -12.3615 -12.3615 -12.3301 -12.3295 -12.3103 -12.3103 -12.3000 -12.3000 -12.2517 -12.2516 -1.2283 -1.2283 -0.9823 -0.9823 -0.7658 -0.7658 3.7069 3.7069 4.1089 4.1197 4.1829 4.2267 4.2483 4.2483 4.4092 4.4092 4.4442 4.4442 4.6754 4.6754 4.7401 4.7401 4.8963 4.9093 4.9978 4.9978 5.0725 5.0725 5.1235 5.1334 5.2173 5.2209 5.2209 5.2673 5.5203 5.5203 5.9196 5.9196 6.0741 6.0741 6.1301 6.1478 6.5837 6.5837 7.3714 7.3714 7.3986 7.4344 7.4592 7.4592 7.7454 7.7482 7.7482 7.8303 11.1909 11.2012 11.2012 11.2072 11.3955 11.3955 11.4212 11.4433 11.8391 11.8391 12.3648 12.3656 12.3656 12.3675 12.7053 12.7053 k = 0.0000 0.0000 0.7524 ( 6876 PWs) bands (ev): -31.3961 -31.3961 -31.3832 -31.3832 -31.3832 -31.3832 -12.7179 -12.7179 -12.7118 -12.7114 -12.6761 -12.6761 -12.3649 -12.3649 -12.3616 -12.3616 -12.3304 -12.3299 -12.3106 -12.3106 -12.3003 -12.3003 -12.2517 -12.2516 -1.2132 -1.2132 -0.9842 -0.9842 -0.7664 -0.7664 3.7054 3.7054 4.1110 4.1197 4.1845 4.2194 4.2494 4.2494 4.4070 4.4070 4.4509 4.4509 4.6753 4.6753 4.7330 4.7330 4.8987 4.9085 4.9973 4.9973 5.0746 5.0746 5.1254 5.1340 5.2174 5.2174 5.2258 5.2666 5.5038 5.5038 5.9198 5.9198 6.1008 6.1008 6.1575 6.1732 6.5514 6.5514 7.3853 7.3853 7.4235 7.4550 7.4550 7.4656 7.6942 7.7040 7.7040 7.7771 11.1928 11.2040 11.2040 11.2076 11.3755 11.3755 11.4025 11.4222 11.9284 11.9284 12.3607 12.3613 12.3613 12.3629 12.6719 12.6719 k = 0.0000 0.0000 0.7752 ( 6864 PWs) bands (ev): -31.3960 -31.3960 -31.3832 -31.3832 -31.3832 -31.3832 -12.7179 -12.7179 -12.7118 -12.7115 -12.6763 -12.6763 -12.3649 -12.3649 -12.3617 -12.3617 -12.3307 -12.3303 -12.3108 -12.3108 -12.3005 -12.3005 -12.2517 -12.2516 -1.2007 -1.2007 -0.9862 -0.9862 -0.7668 -0.7668 3.7043 3.7043 4.1129 4.1194 4.1867 4.2128 4.2503 4.2503 4.4051 4.4051 4.4569 4.4569 4.6746 4.6746 4.7271 4.7271 4.9007 4.9077 4.9970 4.9970 5.0762 5.0762 5.1271 5.1339 5.2141 5.2141 5.2339 5.2649 5.4919 5.4919 5.9200 5.9200 6.1230 6.1230 6.1810 6.1937 6.5259 6.5259 7.3936 7.3936 7.4473 7.4552 7.4552 7.4946 7.6498 7.6674 7.6674 7.7286 11.1951 11.2070 11.2070 11.2076 11.3588 11.3588 11.3881 11.4043 12.0138 12.0138 12.3576 12.3577 12.3577 12.3593 12.6261 12.6261 k = 0.0000 0.0000 0.7980 ( 6846 PWs) bands (ev): -31.3960 -31.3960 -31.3831 -31.3831 -31.3831 -31.3831 -12.7179 -12.7179 -12.7118 -12.7116 -12.6765 -12.6765 -12.3649 -12.3649 -12.3617 -12.3617 -12.3308 -12.3305 -12.3109 -12.3109 -12.3006 -12.3006 -12.2516 -12.2516 -1.1915 -1.1915 -0.9879 -0.9879 -0.7671 -0.7671 3.7034 3.7034 4.1145 4.1189 4.1895 4.2069 4.2509 4.2509 4.4037 4.4037 4.4617 4.4617 4.6737 4.6737 4.7228 4.7228 4.9023 4.9068 4.9967 4.9967 5.0774 5.0774 5.1287 5.1334 5.2115 5.2115 5.2414 5.2622 5.4840 5.4840 5.9203 5.9203 6.1398 6.1398 6.1994 6.2084 6.5076 6.5076 7.3973 7.3973 7.4582 7.4582 7.4707 7.5195 7.6149 7.6398 7.6398 7.6852 11.1978 11.2069 11.2096 11.2096 11.3461 11.3461 11.3785 11.3901 12.0909 12.0909 12.3547 12.3547 12.3554 12.3565 12.5750 12.5750 k = 0.0000 0.0000 0.8208 ( 6882 PWs) bands (ev): -31.3960 -31.3960 -31.3832 -31.3832 -31.3832 -31.3832 -12.7180 -12.7180 -12.7118 -12.7117 -12.6767 -12.6767 -12.3649 -12.3649 -12.3618 -12.3618 -12.3309 -12.3308 -12.3111 -12.3111 -12.3008 -12.3008 -12.2517 -12.2516 -1.1857 -1.1857 -0.9891 -0.9891 -0.7673 -0.7673 3.7029 3.7029 4.1159 4.1181 4.1929 4.2015 4.2512 4.2512 4.4027 4.4027 4.4648 4.4648 4.6727 4.6727 4.7202 4.7202 4.9036 4.9058 4.9965 4.9965 5.0781 5.0781 5.1301 5.1324 5.2097 5.2097 5.2480 5.2584 5.4794 5.4794 5.9204 5.9204 6.1502 6.1502 6.2119 6.2166 6.4965 6.4965 7.3986 7.3986 7.4613 7.4613 7.4941 7.5301 7.6003 7.6225 7.6225 7.6472 11.2006 11.2054 11.2115 11.2115 11.3380 11.3380 11.3738 11.3800 12.1504 12.1504 12.3524 12.3524 12.3541 12.3547 12.5306 12.5306 k = 0.0000 0.0000 0.8436 ( 6882 PWs) bands (ev): -31.3960 -31.3960 -31.3832 -31.3832 -31.3831 -31.3831 -12.7180 -12.7180 -12.7118 -12.7118 -12.6767 -12.6767 -12.3649 -12.3649 -12.3618 -12.3618 -12.3309 -12.3309 -12.3111 -12.3111 -12.3008 -12.3008 -12.2516 -12.2516 -1.1838 -1.1838 -0.9895 -0.9895 -0.7674 -0.7674 3.7027 3.7027 4.1171 4.1171 4.1969 4.1969 4.2514 4.2514 4.4024 4.4024 4.4658 4.4658 4.6723 4.6723 4.7193 4.7193 4.9048 4.9048 4.9964 4.9964 5.0783 5.0783 5.1313 5.1313 5.2091 5.2091 5.2537 5.2537 5.4780 5.4780 5.9205 5.9205 6.1537 6.1537 6.2178 6.2178 6.4928 6.4928 7.3988 7.3988 7.4626 7.4626 7.5166 7.5166 7.6161 7.6161 7.6166 7.6166 11.2032 11.2032 11.2123 11.2123 11.3352 11.3352 11.3744 11.3744 12.1744 12.1744 12.3513 12.3513 12.3539 12.3539 12.5118 12.5118 k = 0.0000 0.0000 0.8436 ( 6882 PWs) bands (ev): -31.3960 -31.3960 -31.3832 -31.3832 -31.3831 -31.3831 -12.7180 -12.7180 -12.7118 -12.7118 -12.6767 -12.6767 -12.3649 -12.3649 -12.3618 -12.3618 -12.3309 -12.3309 -12.3111 -12.3111 -12.3008 -12.3008 -12.2516 -12.2516 -1.1838 -1.1838 -0.9895 -0.9895 -0.7674 -0.7674 3.7027 3.7027 4.1171 4.1171 4.1969 4.1969 4.2514 4.2514 4.4024 4.4024 4.4658 4.4658 4.6723 4.6723 4.7193 4.7193 4.9048 4.9048 4.9964 4.9964 5.0783 5.0783 5.1313 5.1313 5.2091 5.2091 5.2537 5.2537 5.4780 5.4780 5.9205 5.9205 6.1537 6.1537 6.2178 6.2178 6.4928 6.4928 7.3988 7.3988 7.4626 7.4626 7.5166 7.5166 7.6161 7.6161 7.6166 7.6166 11.2032 11.2032 11.2123 11.2123 11.3352 11.3352 11.3744 11.3744 12.1744 12.1744 12.3513 12.3513 12.3539 12.3539 12.5118 12.5118 k = 0.0192 0.0111 0.8436 ( 6870 PWs) bands (ev): -31.3960 -31.3960 -31.3832 -31.3832 -31.3831 -31.3831 -12.7179 -12.7179 -12.7118 -12.7118 -12.6767 -12.6767 -12.3649 -12.3649 -12.3617 -12.3617 -12.3309 -12.3309 -12.3111 -12.3111 -12.3008 -12.3008 -12.2517 -12.2517 -1.1837 -1.1837 -0.9893 -0.9893 -0.7675 -0.7675 3.7019 3.7019 4.1176 4.1176 4.1968 4.1968 4.2516 4.2517 4.4011 4.4012 4.4671 4.4672 4.6722 4.6723 4.7193 4.7193 4.9037 4.9038 4.9966 4.9966 5.0775 5.0776 5.1311 5.1313 5.2101 5.2102 5.2544 5.2545 5.4762 5.4762 5.9150 5.9153 6.1567 6.1572 6.2213 6.2219 6.4919 6.4919 7.3899 7.3902 7.4670 7.4677 7.5191 7.5194 7.6164 7.6166 7.6219 7.6222 11.2048 11.2048 11.2142 11.2143 11.3319 11.3320 11.3712 11.3714 12.1534 12.1534 12.3528 12.3533 12.3761 12.3765 12.5110 12.5110 k = 0.0385 0.0222 0.8436 ( 6854 PWs) bands (ev): -31.3959 -31.3959 -31.3832 -31.3832 -31.3831 -31.3831 -12.7178 -12.7178 -12.7117 -12.7117 -12.6767 -12.6767 -12.3650 -12.3649 -12.3614 -12.3614 -12.3308 -12.3308 -12.3113 -12.3113 -12.3007 -12.3007 -12.2519 -12.2519 -1.1835 -1.1835 -0.9885 -0.9885 -0.7680 -0.7680 3.6993 3.6993 4.1190 4.1191 4.1965 4.1966 4.2523 4.2526 4.3973 4.3978 4.4705 4.4712 4.6720 4.6723 4.7190 4.7192 4.9001 4.9008 4.9969 4.9969 5.0750 5.0758 5.1303 5.1316 5.2127 5.2132 5.2562 5.2570 5.4708 5.4709 5.8993 5.9011 6.1645 6.1680 6.2300 6.2349 6.4891 6.4892 7.3683 7.3701 7.4739 7.4777 7.5266 7.5284 7.6223 7.6230 7.6328 7.6340 11.2092 11.2096 11.2200 11.2203 11.3196 11.3202 11.3638 11.3647 12.1084 12.1085 12.3542 12.3551 12.4283 12.4291 12.5089 12.5093 k = 0.0577 0.0333 0.8436 ( 6850 PWs) bands (ev): -31.3959 -31.3959 -31.3832 -31.3832 -31.3831 -31.3831 -12.7177 -12.7177 -12.7116 -12.7116 -12.6768 -12.6768 -12.3651 -12.3649 -12.3611 -12.3608 -12.3308 -12.3308 -12.3116 -12.3116 -12.3006 -12.3005 -12.2523 -12.2522 -1.1832 -1.1832 -0.9872 -0.9872 -0.7689 -0.7689 3.6949 3.6950 4.1211 4.1214 4.1958 4.1961 4.2532 4.2543 4.3917 4.3931 4.4752 4.4771 4.6714 4.6725 4.7185 4.7192 4.8940 4.8963 4.9970 4.9973 5.0714 5.0737 5.1287 5.1325 5.2160 5.2179 5.2590 5.2614 5.4622 5.4626 5.8750 5.8803 6.1751 6.1861 6.2412 6.2562 6.4846 6.4847 7.3404 7.3444 7.4786 7.4873 7.5382 7.5427 7.6340 7.6354 7.6488 7.6515 11.2157 11.2173 11.2290 11.2302 11.2956 11.2965 11.3563 11.3583 12.0578 12.0580 12.3565 12.3578 12.4855 12.4866 12.5116 12.5129 k = 0.0769 0.0444 0.8436 ( 6842 PWs) bands (ev): -31.3958 -31.3958 -31.3833 -31.3833 -31.3831 -31.3831 -12.7175 -12.7175 -12.7115 -12.7114 -12.6770 -12.6770 -12.3652 -12.3648 -12.3606 -12.3601 -12.3307 -12.3307 -12.3121 -12.3120 -12.3005 -12.3003 -12.2528 -12.2527 -1.1828 -1.1828 -0.9854 -0.9854 -0.7700 -0.7700 3.6890 3.6890 4.1238 4.1246 4.1949 4.1956 4.2545 4.2569 4.3849 4.3875 4.4805 4.4844 4.6701 4.6728 4.7178 4.7192 4.8856 4.8908 4.9968 4.9974 5.0674 5.0718 5.1265 5.1340 5.2193 5.2237 5.2626 5.2677 5.4513 5.4519 5.8448 5.8553 6.1870 6.2112 6.2525 6.2847 6.4782 6.4786 7.3089 7.3153 7.4812 7.4954 7.5526 7.5599 7.6509 7.6531 7.6699 7.6748 11.2212 11.2262 11.2401 11.2435 11.2624 11.2628 11.3503 11.3531 12.0085 12.0087 12.3597 12.3614 12.4940 12.4960 12.5674 12.5679 k = 0.0962 0.0555 0.8436 ( 6846 PWs) bands (ev): -31.3957 -31.3957 -31.3834 -31.3834 -31.3831 -31.3831 -12.7173 -12.7172 -12.7114 -12.7112 -12.6772 -12.6772 -12.3653 -12.3646 -12.3601 -12.3593 -12.3307 -12.3306 -12.3126 -12.3125 -12.3005 -12.3001 -12.2535 -12.2534 -1.1823 -1.1823 -0.9832 -0.9832 -0.7715 -0.7715 3.6814 3.6815 4.1267 4.1285 4.1936 4.1950 4.2559 4.2608 4.3776 4.3814 4.4862 4.4927 4.6679 4.6732 4.7171 4.7194 4.8748 4.8848 4.9961 4.9974 5.0638 5.0705 5.1238 5.1359 5.2221 5.2301 5.2669 5.2756 5.4386 5.4392 5.8106 5.8276 6.1988 6.2429 6.2624 6.3192 6.4702 6.4708 7.2748 7.2837 7.4829 7.5023 7.5679 7.5783 7.6720 7.6753 7.6967 7.7041 11.2020 11.2079 11.2426 11.2438 11.2577 11.2624 11.3448 11.3480 11.9634 11.9635 12.3636 12.3658 12.4875 12.4919 12.6388 12.6398 k = 0.1154 0.0666 0.8436 ( 6844 PWs) bands (ev): -31.3956 -31.3956 -31.3835 -31.3835 -31.3831 -31.3831 -12.7171 -12.7169 -12.7112 -12.7110 -12.6774 -12.6774 -12.3654 -12.3644 -12.3596 -12.3583 -12.3306 -12.3305 -12.3133 -12.3131 -12.3004 -12.2998 -12.2543 -12.2541 -1.1817 -1.1817 -0.9805 -0.9805 -0.7733 -0.7733 3.6724 3.6725 4.1298 4.1328 4.1920 4.1944 4.2574 4.2661 4.3703 4.3752 4.4918 4.5015 4.6645 4.6737 4.7166 4.7198 4.8620 4.8786 4.9949 4.9974 5.0609 5.0699 5.1210 5.1380 5.2244 5.2370 5.2719 5.2843 5.4251 5.4252 5.7739 5.7983 6.2096 6.2698 6.2808 6.3586 6.4604 6.4616 7.2389 7.2502 7.4844 7.5087 7.5830 7.5964 7.6963 7.7006 7.7297 7.7398 11.1516 11.1548 11.2490 11.2518 11.2753 11.2831 11.3393 11.3427 11.9244 11.9249 12.3682 12.3709 12.4795 12.4866 12.7130 12.7142 k = 0.1346 0.0777 0.8436 ( 6846 PWs) bands (ev): -31.3955 -31.3955 -31.3836 -31.3836 -31.3831 -31.3831 -12.7168 -12.7166 -12.7109 -12.7106 -12.6777 -12.6777 -12.3655 -12.3640 -12.3591 -12.3573 -12.3304 -12.3304 -12.3140 -12.3137 -12.3004 -12.2995 -12.2553 -12.2550 -1.1810 -1.1810 -0.9773 -0.9773 -0.7754 -0.7754 3.6620 3.6622 4.1326 4.1373 4.1900 4.1936 4.2588 4.2730 4.3634 4.3689 4.4973 4.5106 4.6599 4.6740 4.7165 4.7204 4.8479 4.8727 4.9936 4.9975 5.0588 5.0701 5.1182 5.1403 5.2262 5.2438 5.2774 5.2932 5.4102 5.4118 5.7360 5.7683 6.2186 6.2745 6.3240 6.4023 6.4492 6.4513 7.2015 7.2153 7.4860 7.5147 7.5973 7.6138 7.7229 7.7280 7.7688 7.7816 11.0925 11.0941 11.2544 11.2590 11.2959 11.3070 11.3343 11.3370 11.8935 11.8946 12.3734 12.3765 12.4708 12.4810 12.7885 12.7899 k = 0.1538 0.0888 0.8436 ( 6850 PWs) bands (ev): -31.3953 -31.3953 -31.3838 -31.3838 -31.3832 -31.3832 -12.7166 -12.7162 -12.7107 -12.7103 -12.6780 -12.6780 -12.3655 -12.3636 -12.3585 -12.3561 -12.3303 -12.3302 -12.3149 -12.3144 -12.3005 -12.2991 -12.2564 -12.2559 -1.1802 -1.1802 -0.9738 -0.9737 -0.7778 -0.7778 3.6504 3.6507 4.1350 4.1419 4.1878 4.1928 4.2600 4.2818 4.3573 4.3626 4.5025 4.5197 4.6540 4.6739 4.7169 4.7210 4.8332 4.8674 4.9925 4.9979 5.0574 5.0707 5.1155 5.1427 5.2276 5.2504 5.2834 5.3018 5.3947 5.3992 5.6977 5.7377 6.2255 6.2764 6.3721 6.4356 6.4368 6.4544 7.1632 7.1792 7.4881 7.5206 7.6106 7.6299 7.7512 7.7570 7.8131 7.8285 11.0291 11.0293 11.2559 11.2613 11.3129 11.3253 11.3356 11.3392 11.8721 11.8744 12.3789 12.3825 12.4621 12.4756 12.8646 12.8661 k = 0.1731 0.0999 0.8436 ( 6842 PWs) bands (ev): -31.3952 -31.3952 -31.3839 -31.3839 -31.3832 -31.3832 -12.7163 -12.7158 -12.7104 -12.7098 -12.6784 -12.6783 -12.3655 -12.3631 -12.3580 -12.3548 -12.3301 -12.3299 -12.3157 -12.3152 -12.3005 -12.2987 -12.2576 -12.2570 -1.1793 -1.1793 -0.9698 -0.9698 -0.7805 -0.7804 3.6378 3.6381 4.1368 4.1462 4.1852 4.1921 4.2608 4.2922 4.3525 4.3565 4.5075 4.5286 4.6473 4.6729 4.7178 4.7215 4.8190 4.8630 4.9919 4.9985 5.0563 5.0718 5.1129 5.1452 5.2286 5.2566 5.2897 5.3093 5.3790 5.3883 5.6596 5.7069 6.2301 6.2757 6.4164 6.4246 6.4314 6.5045 7.1244 7.1423 7.4907 7.5262 7.6228 7.6447 7.7808 7.7871 7.8612 7.8790 10.9625 10.9638 11.2518 11.2576 11.3114 11.3195 11.3571 11.3672 11.8616 11.8654 12.3845 12.3887 12.4537 12.4705 12.9407 12.9424 k = 0.1923 0.1110 0.8436 ( 6832 PWs) bands (ev): -31.3950 -31.3950 -31.3841 -31.3841 -31.3831 -31.3831 -12.7160 -12.7154 -12.7099 -12.7093 -12.6788 -12.6787 -12.3654 -12.3625 -12.3574 -12.3534 -12.3298 -12.3297 -12.3166 -12.3161 -12.3007 -12.2984 -12.2589 -12.2581 -1.1784 -1.1784 -0.9655 -0.9655 -0.7834 -0.7834 3.6243 3.6247 4.1382 4.1501 4.1824 4.1913 4.2608 4.3042 4.3495 4.3507 4.5122 4.5370 4.6403 4.6703 4.7191 4.7220 4.8067 4.8597 4.9919 4.9993 5.0553 5.0733 5.1106 5.1477 5.2293 5.2623 5.2963 5.3150 5.3632 5.3797 5.6223 5.6763 6.2326 6.2727 6.4059 6.4107 6.4840 6.5602 7.0853 7.1050 7.4937 7.5317 7.6339 7.6581 7.8115 7.8180 7.9117 7.9317 10.8958 10.8985 11.2415 11.2474 11.3026 11.3101 11.3872 11.3999 11.8620 11.8676 12.3902 12.3949 12.4460 12.4660 13.0162 13.0180 k = 0.2115 0.1221 0.8436 ( 6844 PWs) bands (ev): -31.3948 -31.3948 -31.3843 -31.3843 -31.3832 -31.3832 -12.7158 -12.7151 -12.7095 -12.7087 -12.6792 -12.6791 -12.3653 -12.3618 -12.3569 -12.3520 -12.3295 -12.3293 -12.3175 -12.3170 -12.3009 -12.2980 -12.2604 -12.2593 -1.1775 -1.1775 -0.9609 -0.9608 -0.7866 -0.7865 3.6101 3.6105 4.1389 4.1533 4.1794 4.1904 4.2598 4.3164 4.3464 4.3485 4.5165 4.5447 4.6336 4.6653 4.7208 4.7224 4.7974 4.8577 4.9926 4.9999 5.0542 5.0751 5.1086 5.1501 5.2295 5.2672 5.3025 5.3181 5.3477 5.3743 5.5863 5.6459 6.2331 6.2680 6.3901 6.3958 6.5448 6.6195 7.0463 7.0677 7.4973 7.5369 7.6442 7.6701 7.8428 7.8489 7.9629 7.9846 10.8313 10.8352 11.2252 11.2312 11.2914 11.2990 11.4206 11.4349 11.8727 11.8802 12.3956 12.4011 12.4394 12.4621 13.0903 13.0922 k = 0.2308 0.1332 0.8436 ( 6842 PWs) bands (ev): -31.3946 -31.3946 -31.3845 -31.3845 -31.3832 -31.3832 -12.7155 -12.7147 -12.7090 -12.7080 -12.6797 -12.6796 -12.3651 -12.3611 -12.3564 -12.3505 -12.3292 -12.3289 -12.3185 -12.3180 -12.3011 -12.2976 -12.2620 -12.2605 -1.1765 -1.1765 -0.9560 -0.9559 -0.7900 -0.7899 3.5954 3.5959 4.1392 4.1557 4.1762 4.1897 4.2575 4.3242 4.3480 4.3496 4.5206 4.5513 4.6281 4.6576 4.7227 4.7231 4.7919 4.8571 4.9940 5.0002 5.0528 5.0773 5.1069 5.1525 5.2293 5.2714 5.3068 5.3181 5.3339 5.3723 5.5521 5.6160 6.2319 6.2618 6.3733 6.3802 6.6094 6.6821 7.0080 7.0306 7.5014 7.5420 7.6536 7.6809 7.8742 7.8795 8.0132 8.0359 10.7709 10.7759 11.2041 11.2099 11.2786 11.2864 11.4561 11.4719 11.8920 11.9015 12.4006 12.4071 12.4342 12.4590 13.1619 13.1638 k = 0.2500 0.1443 0.8436 ( 6846 PWs) bands (ev): -31.3943 -31.3943 -31.3848 -31.3848 -31.3832 -31.3832 -12.7153 -12.7144 -12.7084 -12.7072 -12.6803 -12.6801 -12.3650 -12.3603 -12.3559 -12.3490 -12.3288 -12.3285 -12.3195 -12.3191 -12.3014 -12.2973 -12.2636 -12.2618 -1.1755 -1.1755 -0.9508 -0.9508 -0.7936 -0.7935 3.5805 3.5809 4.1392 4.1572 4.1729 4.1891 4.2541 4.3225 4.3527 4.3599 4.5244 4.5565 4.6244 4.6475 4.7243 4.7247 4.7900 4.8580 4.9958 4.9999 5.0512 5.0799 5.1058 5.1547 5.2286 5.2748 5.3033 5.3156 5.3274 5.3732 5.5204 5.5868 6.2294 6.2547 6.3561 6.3642 6.6770 6.7476 6.9705 6.9942 7.5059 7.5467 7.6624 7.6905 7.9053 7.9090 8.0608 8.0838 10.7166 10.7224 11.1793 11.1848 11.2648 11.2726 11.4933 11.5102 11.9179 11.9292 12.4048 12.4127 12.4307 12.4567 13.2298 13.2318 k = 0.2692 0.1554 0.8436 ( 6846 PWs) bands (ev): -31.3941 -31.3941 -31.3850 -31.3850 -31.3832 -31.3832 -12.7151 -12.7142 -12.7077 -12.7064 -12.6809 -12.6806 -12.3647 -12.3596 -12.3553 -12.3475 -12.3283 -12.3280 -12.3205 -12.3202 -12.3017 -12.2969 -12.2652 -12.2631 -1.1745 -1.1745 -0.9455 -0.9454 -0.7973 -0.7972 3.5654 3.5658 4.1391 4.1577 4.1696 4.1887 4.2496 4.3168 4.3574 4.3765 4.5280 4.5603 4.6232 4.6360 4.7261 4.7270 4.7909 4.8601 4.9981 4.9988 5.0491 5.0824 5.1056 5.1569 5.2274 5.2773 5.2896 5.3116 5.3303 5.3757 5.4918 5.5588 6.2257 6.2468 6.3386 6.3479 6.7475 6.8157 6.9344 6.9588 7.5107 7.5511 7.6704 7.6991 7.9355 7.9367 8.1041 8.1263 10.6704 10.6766 11.1524 11.1573 11.2501 11.2576 11.5317 11.5494 11.9486 11.9614 12.4081 12.4179 12.4292 12.4554 13.2921 13.2945 k = 0.2885 0.1665 0.8436 ( 6838 PWs) bands (ev): -31.3938 -31.3938 -31.3852 -31.3852 -31.3832 -31.3832 -12.7149 -12.7139 -12.7069 -12.7056 -12.6815 -12.6812 -12.3644 -12.3589 -12.3546 -12.3460 -12.3276 -12.3274 -12.3215 -12.3214 -12.3021 -12.2967 -12.2669 -12.2644 -1.1735 -1.1735 -0.9400 -0.9399 -0.8013 -0.8011 3.5505 3.5509 4.1390 4.1573 4.1663 4.1886 4.2443 4.3097 4.3632 4.3943 4.5317 4.5627 4.6244 4.6244 4.7283 4.7294 4.7940 4.8634 4.9968 5.0007 5.0466 5.0842 5.1069 5.1589 5.2258 5.2712 5.2798 5.3067 5.3357 5.3784 5.4671 5.5324 6.2213 6.2387 6.3213 6.3316 6.8199 6.8837 6.9026 6.9252 7.5158 7.5551 7.6780 7.7066 7.9619 7.9641 8.1416 8.1618 10.6338 10.6401 11.1244 11.1288 11.2345 11.2416 11.5707 11.5890 11.9820 11.9961 12.4103 12.4226 12.4296 12.4550 13.2751 13.2853 k = 0.3077 0.1776 0.8436 ( 6832 PWs) bands (ev): -31.3936 -31.3936 -31.3855 -31.3855 -31.3832 -31.3832 -12.7147 -12.7137 -12.7060 -12.7047 -12.6822 -12.6818 -12.3641 -12.3583 -12.3539 -12.3445 -12.3270 -12.3267 -12.3226 -12.3225 -12.3025 -12.2964 -12.2686 -12.2657 -1.1725 -1.1725 -0.9344 -0.9343 -0.8054 -0.8052 3.5360 3.5364 4.1389 4.1562 4.1631 4.1889 4.2384 4.3021 4.3697 4.4118 4.5360 4.5644 4.6137 4.6279 4.7309 4.7318 4.7986 4.8675 4.9940 5.0035 5.0436 5.0845 5.1101 5.1607 5.2238 5.2522 5.2803 5.3013 5.3410 5.3807 5.4468 5.5082 6.2163 6.2304 6.3044 6.3155 6.8660 6.8806 6.9070 6.9606 7.5210 7.5586 7.6850 7.7133 7.9835 7.9903 8.1722 8.1891 10.6083 10.6142 11.0965 11.1003 11.2182 11.2249 11.6098 11.6283 12.0166 12.0317 12.4121 12.4268 12.4313 12.4555 13.1904 13.2025 k = 0.3269 0.1887 0.8436 ( 6824 PWs) bands (ev): -31.3933 -31.3933 -31.3857 -31.3857 -31.3832 -31.3832 -12.7145 -12.7135 -12.7051 -12.7038 -12.6828 -12.6825 -12.3637 -12.3579 -12.3530 -12.3431 -12.3263 -12.3261 -12.3237 -12.3234 -12.3029 -12.2963 -12.2702 -12.2670 -1.1716 -1.1716 -0.9288 -0.9286 -0.8095 -0.8094 3.5220 3.5224 4.1390 4.1545 4.1602 4.1896 4.2319 4.2939 4.3765 4.4276 4.5416 4.5659 4.6047 4.6330 4.7335 4.7343 4.8041 4.8722 4.9907 5.0062 5.0402 5.0835 5.1149 5.1624 5.2214 5.2318 5.2802 5.2953 5.3457 5.3819 5.4313 5.4869 6.2111 6.2222 6.2883 6.2998 6.8359 6.8583 6.9755 7.0354 7.5263 7.5616 7.6916 7.7191 8.0001 8.0129 8.1957 8.2076 10.5947 10.5998 11.0694 11.0726 11.2013 11.2074 11.6483 11.6669 12.0511 12.0668 12.4141 12.4304 12.4336 12.4569 13.1019 13.1163 k = 0.3462 0.1999 0.8436 ( 6824 PWs) bands (ev): -31.3931 -31.3931 -31.3860 -31.3860 -31.3832 -31.3832 -12.7143 -12.7134 -12.7042 -12.7029 -12.6835 -12.6831 -12.3633 -12.3577 -12.3519 -12.3418 -12.3260 -12.3255 -12.3244 -12.3242 -12.3033 -12.2963 -12.2717 -12.2683 -1.1707 -1.1707 -0.9231 -0.9230 -0.8138 -0.8136 3.5089 3.5092 4.1392 4.1524 4.1577 4.1908 4.2250 4.2854 4.3834 4.4402 4.5495 4.5675 4.5979 4.6393 4.7360 4.7368 4.8102 4.8770 4.9870 5.0088 5.0363 5.0815 5.1207 5.1639 5.2112 5.2186 5.2791 5.2886 5.3492 5.3813 5.4209 5.4694 6.2057 6.2142 6.2732 6.2849 6.8081 6.8301 7.0534 7.1119 7.5315 7.5641 7.6976 7.7242 8.0101 8.0302 8.2124 8.2179 10.5930 10.5971 11.0439 11.0465 11.1839 11.1895 11.6858 11.7041 12.0844 12.1003 12.4166 12.4335 12.4360 12.4590 13.0114 13.0282 k = 0.3654 0.2110 0.8436 ( 6830 PWs) bands (ev): -31.3928 -31.3928 -31.3863 -31.3863 -31.3832 -31.3832 -12.7142 -12.7134 -12.7033 -12.7020 -12.6843 -12.6838 -12.3629 -12.3576 -12.3506 -12.3406 -12.3269 -12.3257 -12.3241 -12.3239 -12.3037 -12.2965 -12.2730 -12.2695 -1.1700 -1.1700 -0.9176 -0.9174 -0.8181 -0.8179 3.4967 3.4970 4.1396 4.1501 4.1557 4.1924 4.2178 4.2767 4.3901 4.4485 4.5604 4.5694 4.5937 4.6464 4.7382 4.7391 4.8167 4.8813 4.9832 5.0109 5.0323 5.0787 5.1268 5.1650 5.1914 5.2154 5.2771 5.2812 5.3513 5.3788 5.4151 5.4563 6.2003 6.2067 6.2596 6.2709 6.7831 6.8039 7.1327 7.1896 7.5366 7.5660 7.7032 7.7286 8.0115 8.0397 8.2221 8.2238 10.6028 10.6055 11.0204 11.0225 11.1660 11.1711 11.7215 11.7391 12.1155 12.1312 12.4197 12.4361 12.4383 12.4619 12.9211 12.9404 k = 0.3846 0.2221 0.8436 ( 6818 PWs) bands (ev): -31.3925 -31.3925 -31.3865 -31.3865 -31.3832 -31.3832 -12.7140 -12.7133 -12.7023 -12.7011 -12.6850 -12.6845 -12.3624 -12.3576 -12.3493 -12.3396 -12.3281 -12.3265 -12.3234 -12.3230 -12.3040 -12.2969 -12.2742 -12.2707 -1.1692 -1.1692 -0.9122 -0.9120 -0.8223 -0.8221 3.4858 3.4861 4.1400 4.1478 4.1545 4.1946 4.2105 4.2679 4.3967 4.4524 4.5715 4.5724 4.5936 4.6542 4.7401 4.7411 4.8232 4.8847 4.9797 5.0114 5.0290 5.0754 5.1326 5.1648 5.1748 5.2114 5.2734 5.2746 5.3522 5.3747 5.4131 5.4474 6.1951 6.1996 6.2476 6.2581 6.7613 6.7803 7.2125 7.2680 7.5414 7.5674 7.7082 7.7323 8.0027 8.0382 8.2233 8.2315 10.6225 10.6238 10.9993 11.0009 11.1477 11.1524 11.7548 11.7712 12.1438 12.1588 12.4233 12.4383 12.4404 12.4654 12.8333 12.8551 k = 0.4038 0.2332 0.8436 ( 6814 PWs) bands (ev): -31.3923 -31.3923 -31.3867 -31.3867 -31.3832 -31.3832 -12.7139 -12.7132 -12.7014 -12.7003 -12.6857 -12.6852 -12.3619 -12.3578 -12.3479 -12.3387 -12.3294 -12.3273 -12.3227 -12.3220 -12.3042 -12.2974 -12.2751 -12.2718 -1.1686 -1.1686 -0.9071 -0.9069 -0.8264 -0.8262 3.4763 3.4765 4.1401 4.1456 4.1543 4.1973 4.2031 4.2592 4.4030 4.4527 4.5735 4.5791 4.6028 4.6620 4.7413 4.7426 4.8297 4.8864 4.9767 5.0088 5.0282 5.0716 5.1376 5.1558 5.1699 5.2065 5.2659 5.2715 5.3524 5.3700 5.4139 5.4419 6.1903 6.1932 6.2375 6.2468 6.7427 6.7594 7.2922 7.3463 7.5460 7.5682 7.7125 7.7354 7.9827 8.0230 8.2251 8.2374 10.6497 10.6499 10.9810 10.9821 11.1293 11.1336 11.7850 11.7997 12.1687 12.1824 12.4275 12.4400 12.4424 12.4696 12.7503 12.7747 k = 0.4231 0.2443 0.8436 ( 6810 PWs) bands (ev): -31.3921 -31.3921 -31.3870 -31.3870 -31.3832 -31.3832 -12.7137 -12.7132 -12.7005 -12.6995 -12.6863 -12.6859 -12.3615 -12.3580 -12.3464 -12.3382 -12.3305 -12.3281 -12.3219 -12.3212 -12.3043 -12.2981 -12.2758 -12.2728 -1.1681 -1.1681 -0.9023 -0.9022 -0.8302 -0.8300 3.4682 3.4684 4.1400 4.1437 4.1555 4.1959 4.2007 4.2507 4.4092 4.4506 4.5754 4.5804 4.6195 4.6696 4.7420 4.7434 4.8361 4.8858 4.9746 5.0034 5.0300 5.0674 5.1414 5.1451 5.1706 5.2005 5.2597 5.2681 5.3523 5.3654 5.4162 5.4383 6.1859 6.1875 6.2295 6.2372 6.7277 6.7417 7.3707 7.4234 7.5503 7.5684 7.7160 7.7379 7.9522 7.9939 8.2289 8.2421 10.6805 10.6818 10.9658 10.9663 11.1109 11.1148 11.8113 11.8239 12.1898 12.2017 12.4320 12.4413 12.4444 12.4747 12.6748 12.7020 k = 0.4423 0.2554 0.8436 ( 6806 PWs) bands (ev): -31.3919 -31.3919 -31.3871 -31.3871 -31.3832 -31.3832 -12.7136 -12.7132 -12.6997 -12.6989 -12.6869 -12.6865 -12.3610 -12.3583 -12.3449 -12.3380 -12.3313 -12.3290 -12.3212 -12.3204 -12.3041 -12.2990 -12.2762 -12.2738 -1.1677 -1.1677 -0.8982 -0.8981 -0.8336 -0.8334 3.4619 3.4620 4.1397 4.1421 4.1578 4.1889 4.2047 4.2424 4.4152 4.4471 4.5770 4.5804 4.6375 4.6760 4.7421 4.7435 4.8424 4.8827 4.9737 4.9966 5.0334 5.0629 5.1383 5.1434 5.1718 5.1937 5.2556 5.2646 5.3524 5.3615 5.4192 5.4358 6.1821 6.1828 6.2236 6.2294 6.7164 6.7272 7.4467 7.4976 7.5541 7.5684 7.7187 7.7401 7.9134 7.9530 8.2343 8.2458 10.7125 10.7146 10.9537 10.9537 11.0935 11.0968 11.8331 11.8431 12.2069 12.2164 12.4367 12.4423 12.4473 12.4810 12.6092 12.6393 k = 0.4615 0.2665 0.8436 ( 6802 PWs) bands (ev): -31.3918 -31.3918 -31.3873 -31.3873 -31.3832 -31.3832 -12.7135 -12.7132 -12.6991 -12.6985 -12.6873 -12.6870 -12.3605 -12.3587 -12.3433 -12.3384 -12.3316 -12.3297 -12.3206 -12.3200 -12.3036 -12.3000 -12.2763 -12.2746 -1.1674 -1.1674 -0.8950 -0.8948 -0.8363 -0.8362 3.4572 3.4573 4.1393 4.1408 4.1612 4.1823 4.2094 4.2346 4.4210 4.4426 4.5783 4.5803 4.6543 4.6803 4.7418 4.7428 4.8488 4.8774 4.9741 4.9899 5.0377 5.0580 5.1355 5.1434 5.1733 5.1871 5.2538 5.2612 5.3527 5.3584 5.4226 5.4336 6.1792 6.1793 6.2197 6.2236 6.7088 6.7161 7.5179 7.5575 7.5595 7.5730 7.7206 7.7418 7.8708 7.9047 8.2398 8.2482 10.7414 10.7435 10.9446 10.9448 11.0782 11.0808 11.8498 11.8567 12.2197 12.2264 12.4404 12.4429 12.4529 12.4893 12.5557 12.5883 k = 0.4808 0.2776 0.8436 ( 6800 PWs) bands (ev): -31.3917 -31.3917 -31.3874 -31.3874 -31.3832 -31.3832 -12.7134 -12.7133 -12.6986 -12.6982 -12.6875 -12.6873 -12.3600 -12.3591 -12.3419 -12.3392 -12.3315 -12.3304 -12.3201 -12.3198 -12.3030 -12.3011 -12.2761 -12.2753 -1.1672 -1.1672 -0.8928 -0.8927 -0.8381 -0.8381 3.4544 3.4545 4.1392 4.1399 4.1655 4.1761 4.2147 4.2274 4.4267 4.4376 4.5792 4.5802 4.6679 4.6811 4.7414 4.7419 4.8557 4.8704 4.9760 4.9840 5.0426 5.0529 5.1359 5.1414 5.1752 5.1817 5.2539 5.2580 5.3533 5.3561 5.4258 5.4313 6.1772 6.1772 6.2178 6.2197 6.7049 6.7087 7.5603 7.5644 7.5796 7.6154 7.7250 7.7425 7.8343 7.8559 8.2445 8.2489 10.7623 10.7637 10.9391 10.9394 11.0676 11.0690 11.8608 11.8643 12.2281 12.2316 12.4422 12.4432 12.4641 12.4982 12.5179 12.5499 k = 0.5000 0.2887 0.8436 ( 6796 PWs) bands (ev): -31.3916 -31.3916 -31.3874 -31.3874 -31.3832 -31.3832 -12.7133 -12.7133 -12.6983 -12.6983 -12.6875 -12.6875 -12.3595 -12.3595 -12.3405 -12.3405 -12.3310 -12.3310 -12.3198 -12.3198 -12.3021 -12.3021 -12.2758 -12.2758 -1.1672 -1.1672 -0.8920 -0.8920 -0.8387 -0.8387 3.4535 3.4535 4.1394 4.1394 4.1705 4.1705 4.2207 4.2207 4.4323 4.4323 4.5798 4.5798 4.6771 4.6771 4.7413 4.7413 4.8630 4.8630 4.9793 4.9793 5.0477 5.0477 5.1384 5.1384 5.1779 5.1779 5.2555 5.2555 5.3544 5.3544 5.4288 5.4288 6.1765 6.1765 6.2178 6.2178 6.7049 6.7049 7.5628 7.5628 7.6194 7.6194 7.7370 7.7370 7.8247 7.8247 8.2476 8.2476 10.7705 10.7705 10.9374 10.9374 11.0642 11.0642 11.8657 11.8657 12.2322 12.2322 12.4430 12.4430 12.4822 12.4822 12.5233 12.5233 k = 0.5000 0.2887 0.8436 ( 6796 PWs) bands (ev): -31.3916 -31.3916 -31.3874 -31.3874 -31.3832 -31.3832 -12.7133 -12.7133 -12.6983 -12.6983 -12.6875 -12.6875 -12.3595 -12.3595 -12.3405 -12.3405 -12.3310 -12.3310 -12.3198 -12.3198 -12.3021 -12.3021 -12.2758 -12.2758 -1.1672 -1.1672 -0.8920 -0.8920 -0.8387 -0.8387 3.4535 3.4535 4.1394 4.1394 4.1705 4.1705 4.2207 4.2207 4.4323 4.4323 4.5798 4.5798 4.6771 4.6771 4.7413 4.7413 4.8630 4.8630 4.9793 4.9793 5.0477 5.0477 5.1384 5.1384 5.1779 5.1779 5.2555 5.2555 5.3544 5.3544 5.4288 5.4288 6.1765 6.1765 6.2178 6.2178 6.7049 6.7049 7.5628 7.5628 7.6194 7.6194 7.7370 7.7370 7.8247 7.8247 8.2476 8.2476 10.7705 10.7705 10.9374 10.9374 11.0642 11.0642 11.8657 11.8657 12.2322 12.2322 12.4430 12.4430 12.4822 12.4822 12.5233 12.5233 k = 0.4889 0.3079 0.8436 ( 6800 PWs) bands (ev): -31.3916 -31.3916 -31.3874 -31.3874 -31.3832 -31.3832 -12.7133 -12.7133 -12.6983 -12.6983 -12.6876 -12.6876 -12.3595 -12.3595 -12.3405 -12.3405 -12.3311 -12.3311 -12.3198 -12.3198 -12.3021 -12.3021 -12.2759 -12.2759 -1.1671 -1.1671 -0.8919 -0.8919 -0.8388 -0.8388 3.4531 3.4531 4.1395 4.1395 4.1710 4.1710 4.2208 4.2208 4.4316 4.4316 4.5804 4.5804 4.6747 4.6747 4.7428 4.7428 4.8621 4.8621 4.9773 4.9773 5.0494 5.0494 5.1372 5.1372 5.1800 5.1800 5.2555 5.2555 5.3542 5.3542 5.4284 5.4284 6.1812 6.1812 6.2190 6.2190 6.7020 6.7020 7.5646 7.5646 7.6173 7.6173 7.7357 7.7357 7.8136 7.8136 8.2590 8.2590 10.7733 10.7733 10.9368 10.9368 11.0664 11.0664 11.8664 11.8664 12.2315 12.2315 12.4434 12.4434 12.4813 12.4813 12.5211 12.5211 k = 0.4778 0.3272 0.8436 ( 6804 PWs) bands (ev): -31.3916 -31.3916 -31.3874 -31.3874 -31.3832 -31.3832 -12.7133 -12.7133 -12.6982 -12.6982 -12.6876 -12.6876 -12.3594 -12.3594 -12.3406 -12.3406 -12.3311 -12.3311 -12.3196 -12.3196 -12.3019 -12.3019 -12.2761 -12.2761 -1.1671 -1.1671 -0.8915 -0.8915 -0.8391 -0.8391 3.4520 3.4520 4.1397 4.1397 4.1726 4.1726 4.2209 4.2209 4.4298 4.4298 4.5818 4.5818 4.6682 4.6682 4.7467 4.7467 4.8597 4.8597 4.9722 4.9722 5.0535 5.0535 5.1342 5.1342 5.1856 5.1856 5.2556 5.2556 5.3536 5.3536 5.4273 5.4273 6.1941 6.1941 6.2240 6.2240 6.6935 6.6935 7.5698 7.5698 7.6109 7.6109 7.7300 7.7300 7.7857 7.7857 8.2894 8.2894 10.7817 10.7817 10.9352 10.9352 11.0732 11.0732 11.8686 11.8686 12.2297 12.2297 12.4445 12.4445 12.4783 12.4783 12.5150 12.5150 k = 0.4667 0.3464 0.8436 ( 6800 PWs) bands (ev): -31.3915 -31.3915 -31.3875 -31.3875 -31.3832 -31.3832 -12.7132 -12.7132 -12.6981 -12.6981 -12.6878 -12.6878 -12.3592 -12.3592 -12.3408 -12.3408 -12.3313 -12.3313 -12.3194 -12.3194 -12.3017 -12.3017 -12.2764 -12.2764 -1.1670 -1.1670 -0.8908 -0.8908 -0.8396 -0.8396 3.4503 3.4503 4.1403 4.1403 4.1752 4.1752 4.2212 4.2212 4.4270 4.4270 4.5832 4.5832 4.6596 4.6596 4.7519 4.7519 4.8558 4.8558 4.9657 4.9657 5.0589 5.0589 5.1306 5.1306 5.1931 5.1931 5.2558 5.2558 5.3525 5.3525 5.4257 5.4257 6.2086 6.2086 6.2386 6.2386 6.6799 6.6799 7.5777 7.5777 7.6001 7.6001 7.7095 7.7095 7.7592 7.7592 8.3320 8.3320 10.7956 10.7956 10.9324 10.9324 11.0844 11.0844 11.8725 11.8725 12.2266 12.2266 12.4464 12.4464 12.4716 12.4716 12.5067 12.5067 k = 0.4556 0.3657 0.8436 ( 6808 PWs) bands (ev): -31.3915 -31.3915 -31.3876 -31.3876 -31.3832 -31.3832 -12.7131 -12.7131 -12.6980 -12.6980 -12.6880 -12.6880 -12.3590 -12.3590 -12.3411 -12.3411 -12.3314 -12.3314 -12.3190 -12.3190 -12.3015 -12.3015 -12.2769 -12.2769 -1.1669 -1.1669 -0.8898 -0.8898 -0.8403 -0.8403 3.4479 3.4479 4.1409 4.1409 4.1787 4.1787 4.2217 4.2217 4.4236 4.4236 4.5825 4.5825 4.6514 4.6514 4.7577 4.7577 4.8507 4.8507 4.9590 4.9590 5.0644 5.0644 5.1270 5.1270 5.2012 5.2012 5.2562 5.2562 5.3511 5.3511 5.4236 5.4236 6.2178 6.2178 6.2694 6.2694 6.6616 6.6616 7.5828 7.5828 7.5880 7.5880 7.6673 7.6673 7.7485 7.7485 8.3805 8.3805 10.8150 10.8150 10.9285 10.9285 11.0996 11.0996 11.8782 11.8782 12.2222 12.2222 12.4485 12.4485 12.4594 12.4594 12.4988 12.4988 k = 0.4444 0.3849 0.8436 ( 6808 PWs) bands (ev): -31.3914 -31.3914 -31.3877 -31.3877 -31.3832 -31.3832 -12.7129 -12.7129 -12.6979 -12.6979 -12.6882 -12.6882 -12.3588 -12.3588 -12.3413 -12.3413 -12.3317 -12.3317 -12.3187 -12.3187 -12.3011 -12.3011 -12.2775 -12.2775 -1.1667 -1.1667 -0.8886 -0.8886 -0.8412 -0.8412 3.4449 3.4449 4.1418 4.1418 4.1828 4.1828 4.2224 4.2224 4.4197 4.4197 4.5773 4.5773 4.6466 4.6466 4.7636 4.7636 4.8448 4.8448 4.9531 4.9531 5.0697 5.0697 5.1236 5.1236 5.2091 5.2091 5.2571 5.2571 5.3494 5.3494 5.4211 5.4211 6.2249 6.2249 6.3124 6.3124 6.6396 6.6396 7.5584 7.5584 7.5907 7.5907 7.6271 7.6271 7.7442 7.7442 8.4310 8.4310 10.8394 10.8394 10.9239 10.9239 11.1184 11.1184 11.8858 11.8858 12.2165 12.2165 12.4389 12.4389 12.4527 12.4527 12.4924 12.4924 k = 0.4333 0.4041 0.8436 ( 6812 PWs) bands (ev): -31.3913 -31.3913 -31.3878 -31.3878 -31.3832 -31.3832 -12.7128 -12.7128 -12.6977 -12.6977 -12.6885 -12.6885 -12.3585 -12.3585 -12.3417 -12.3417 -12.3319 -12.3319 -12.3182 -12.3182 -12.3008 -12.3008 -12.2782 -12.2782 -1.1665 -1.1665 -0.8872 -0.8872 -0.8423 -0.8423 3.4416 3.4416 4.1429 4.1429 4.1874 4.1874 4.2236 4.2236 4.4155 4.4155 4.5666 4.5666 4.6467 4.6467 4.7694 4.7694 4.8384 4.8384 4.9482 4.9482 5.0745 5.0745 5.1205 5.1205 5.2158 5.2158 5.2585 5.2585 5.3474 5.3474 5.4184 5.4184 6.2323 6.2323 6.3642 6.3642 6.6146 6.6146 7.5166 7.5166 7.5667 7.5667 7.6244 7.6244 7.7417 7.7417 8.4810 8.4810 10.8683 10.8683 10.9189 10.9189 11.1401 11.1401 11.8957 11.8957 12.2095 12.2095 12.4152 12.4152 12.4556 12.4556 12.4867 12.4867 k = 0.4222 0.4234 0.8436 ( 6808 PWs) bands (ev): -31.3911 -31.3911 -31.3879 -31.3879 -31.3832 -31.3832 -12.7126 -12.7126 -12.6974 -12.6974 -12.6888 -12.6888 -12.3581 -12.3581 -12.3420 -12.3420 -12.3322 -12.3322 -12.3177 -12.3177 -12.3003 -12.3003 -12.2790 -12.2790 -1.1663 -1.1663 -0.8854 -0.8854 -0.8436 -0.8436 3.4380 3.4380 4.1440 4.1440 4.1921 4.1921 4.2253 4.2253 4.4111 4.4111 4.5519 4.5519 4.6506 4.6506 4.7750 4.7750 4.8321 4.8321 4.9443 4.9443 5.0788 5.0788 5.1178 5.1178 5.2211 5.2211 5.2607 5.2607 5.3453 5.3453 5.4158 5.4158 6.2407 6.2407 6.4233 6.4233 6.5877 6.5877 7.4609 7.4609 7.5381 7.5381 7.6361 7.6361 7.7399 7.7399 8.5287 8.5287 10.8963 10.8963 10.9190 10.9190 11.1641 11.1641 11.9078 11.9078 12.2012 12.2012 12.3880 12.3880 12.4589 12.4589 12.4804 12.4804 k = 0.4111 0.4426 0.8436 ( 6812 PWs) bands (ev): -31.3910 -31.3910 -31.3880 -31.3880 -31.3832 -31.3832 -12.7125 -12.7125 -12.6971 -12.6971 -12.6892 -12.6892 -12.3577 -12.3577 -12.3424 -12.3424 -12.3325 -12.3325 -12.3172 -12.3172 -12.2998 -12.2998 -12.2798 -12.2798 -1.1661 -1.1661 -0.8834 -0.8834 -0.8451 -0.8451 3.4342 3.4342 4.1452 4.1452 4.1965 4.1965 4.2280 4.2280 4.4064 4.4064 4.5353 4.5353 4.6566 4.6566 4.7804 4.7804 4.8261 4.8261 4.9413 4.9413 5.0825 5.0825 5.1153 5.1153 5.2250 5.2250 5.2633 5.2633 5.3430 5.3430 5.4133 5.4133 6.2502 6.2502 6.4876 6.4876 6.5603 6.5603 7.4005 7.4005 7.5096 7.5096 7.6492 7.6492 7.7385 7.7385 8.5728 8.5728 10.8996 10.8996 10.9473 10.9473 11.1891 11.1891 11.9224 11.9224 12.1915 12.1915 12.3595 12.3595 12.4614 12.4614 12.4729 12.4729 k = 0.4000 0.4619 0.8436 ( 6804 PWs) bands (ev): -31.3908 -31.3908 -31.3882 -31.3882 -31.3832 -31.3832 -12.7123 -12.7123 -12.6968 -12.6968 -12.6896 -12.6896 -12.3573 -12.3573 -12.3427 -12.3427 -12.3328 -12.3328 -12.3167 -12.3167 -12.2993 -12.2993 -12.2807 -12.2807 -1.1659 -1.1659 -0.8812 -0.8812 -0.8469 -0.8469 3.4304 3.4304 4.1463 4.1463 4.2003 4.2003 4.2318 4.2318 4.4013 4.4013 4.5190 4.5190 4.6634 4.6634 4.7854 4.7854 4.8207 4.8207 4.9389 4.9389 5.0857 5.0857 5.1131 5.1131 5.2276 5.2276 5.2661 5.2661 5.3406 5.3406 5.4112 5.4112 6.2611 6.2611 6.5237 6.5237 6.5657 6.5657 7.3393 7.3393 7.4798 7.4798 7.6617 7.6617 7.7377 7.7377 8.6125 8.6125 10.8936 10.8936 10.9882 10.9882 11.2140 11.2140 11.9392 11.9392 12.1803 12.1803 12.3313 12.3313 12.4571 12.4571 12.4688 12.4688 k = 0.3889 0.4811 0.8436 ( 6810 PWs) bands (ev): -31.3906 -31.3906 -31.3884 -31.3884 -31.3832 -31.3832 -12.7121 -12.7121 -12.6963 -12.6963 -12.6901 -12.6901 -12.3569 -12.3569 -12.3430 -12.3430 -12.3331 -12.3331 -12.3162 -12.3162 -12.2987 -12.2987 -12.2816 -12.2816 -1.1657 -1.1657 -0.8788 -0.8788 -0.8490 -0.8490 3.4268 3.4268 4.1474 4.1474 4.2033 4.2033 4.2366 4.2366 4.3954 4.3954 4.5042 4.5042 4.6701 4.6701 4.7900 4.7900 4.8159 4.8159 4.9372 4.9372 5.0884 5.0884 5.1110 5.1110 5.2294 5.2294 5.2685 5.2685 5.3383 5.3383 5.4094 5.4094 6.2733 6.2733 6.4977 6.4977 6.6372 6.6372 7.2788 7.2788 7.4489 7.4489 7.6726 7.6726 7.7374 7.7374 8.6471 8.6471 10.8869 10.8869 11.0323 11.0323 11.2370 11.2370 11.9582 11.9582 12.1675 12.1675 12.3052 12.3052 12.4418 12.4418 12.4706 12.4706 k = 0.3778 0.5004 0.8436 ( 6822 PWs) bands (ev): -31.3904 -31.3904 -31.3886 -31.3886 -31.3832 -31.3832 -12.7120 -12.7120 -12.6959 -12.6959 -12.6906 -12.6906 -12.3566 -12.3566 -12.3433 -12.3433 -12.3334 -12.3334 -12.3158 -12.3158 -12.2982 -12.2982 -12.2825 -12.2825 -1.1655 -1.1655 -0.8761 -0.8761 -0.8513 -0.8513 3.4235 3.4235 4.1482 4.1482 4.2055 4.2055 4.2419 4.2419 4.3890 4.3890 4.4921 4.4921 4.6761 4.6761 4.7941 4.7941 4.8119 4.8119 4.9359 4.9359 5.0906 5.0906 5.1091 5.1091 5.2308 5.2308 5.2703 5.2703 5.3361 5.3361 5.4081 5.4081 6.2869 6.2869 6.4694 6.4694 6.7143 6.7143 7.2196 7.2196 7.4173 7.4173 7.6814 7.6814 7.7377 7.7377 8.6760 8.6760 10.8804 10.8804 11.0777 11.0777 11.2563 11.2563 11.9790 11.9790 12.1531 12.1531 12.2831 12.2831 12.4192 12.4192 12.4730 12.4730 k = 0.3667 0.5196 0.8436 ( 6818 PWs) bands (ev): -31.3902 -31.3902 -31.3888 -31.3888 -31.3832 -31.3832 -12.7119 -12.7119 -12.6954 -12.6954 -12.6911 -12.6911 -12.3563 -12.3563 -12.3435 -12.3435 -12.3337 -12.3337 -12.3154 -12.3154 -12.2977 -12.2977 -12.2833 -12.2833 -1.1654 -1.1654 -0.8732 -0.8732 -0.8539 -0.8539 3.4207 3.4207 4.1488 4.1488 4.2073 4.2073 4.2472 4.2472 4.3822 4.3822 4.4832 4.4832 4.6812 4.6812 4.7975 4.7975 4.8090 4.8090 4.9350 4.9350 5.0923 5.0923 5.1074 5.1074 5.2320 5.2320 5.2712 5.2712 5.3343 5.3343 5.4073 5.4073 6.3019 6.3019 6.4420 6.4420 6.7930 6.7930 7.1624 7.1624 7.3860 7.3860 7.6878 7.6878 7.7386 7.7386 8.6988 8.6988 10.8747 10.8747 11.1224 11.1224 11.2694 11.2694 12.0012 12.0012 12.1371 12.1371 12.2672 12.2672 12.3903 12.3903 12.4751 12.4751 k = 0.3556 0.5389 0.8436 ( 6810 PWs) bands (ev): -31.3900 -31.3900 -31.3890 -31.3890 -31.3832 -31.3832 -12.7118 -12.7118 -12.6948 -12.6948 -12.6917 -12.6917 -12.3560 -12.3560 -12.3436 -12.3436 -12.3338 -12.3338 -12.3150 -12.3150 -12.2973 -12.2973 -12.2840 -12.2840 -1.1652 -1.1652 -0.8701 -0.8701 -0.8567 -0.8567 3.4185 3.4185 4.1493 4.1493 4.2087 4.2087 4.2516 4.2516 4.3761 4.3761 4.4774 4.4774 4.6850 4.6850 4.7998 4.7998 4.8073 4.8073 4.9344 4.9344 5.0935 5.0935 5.1060 5.1060 5.2332 5.2332 5.2713 5.2713 5.3330 5.3330 5.4069 5.4069 6.3177 6.3177 6.4167 6.4167 6.8705 6.8705 7.1073 7.1073 7.3571 7.3571 7.6920 7.6920 7.7398 7.7398 8.7153 8.7153 10.8703 10.8703 11.1640 11.1640 11.2742 11.2742 12.0240 12.0240 12.1196 12.1196 12.2592 12.2592 12.3577 12.3577 12.4766 12.4766 k = 0.3444 0.5581 0.8436 ( 6806 PWs) bands (ev): -31.3898 -31.3898 -31.3893 -31.3893 -31.3832 -31.3832 -12.7118 -12.7118 -12.6942 -12.6942 -12.6923 -12.6923 -12.3559 -12.3559 -12.3437 -12.3437 -12.3340 -12.3340 -12.3148 -12.3148 -12.2970 -12.2970 -12.2844 -12.2844 -1.1651 -1.1651 -0.8668 -0.8668 -0.8599 -0.8599 3.4171 3.4171 4.1495 4.1495 4.2097 4.2097 4.2543 4.2543 4.3718 4.3718 4.4742 4.4742 4.6872 4.6872 4.8006 4.8006 4.8071 4.8071 4.9340 4.9340 5.0942 5.0942 5.1051 5.1051 5.2341 5.2341 5.2709 5.2709 5.3322 5.3322 5.4067 5.4067 6.3331 6.3331 6.3954 6.3954 6.9423 6.9423 7.0549 7.0549 7.3340 7.3340 7.6942 7.6942 7.7409 7.7409 8.7252 8.7252 10.8674 10.8674 11.1993 11.1993 11.2692 11.2692 12.0459 12.0459 12.1015 12.1015 12.2599 12.2599 12.3277 12.3277 12.4775 12.4775 k = 0.3333 0.5774 0.8436 ( 6816 PWs) bands (ev): -31.3895 -31.3895 -31.3895 -31.3895 -31.3832 -31.3832 -12.7118 -12.7118 -12.6939 -12.6939 -12.6926 -12.6926 -12.3558 -12.3558 -12.3437 -12.3437 -12.3340 -12.3340 -12.3148 -12.3148 -12.2970 -12.2970 -12.2846 -12.2846 -1.1651 -1.1651 -0.8635 -0.8635 -0.8631 -0.8631 3.4166 3.4166 4.1496 4.1496 4.2101 4.2101 4.2552 4.2552 4.3703 4.3703 4.4733 4.4733 4.6880 4.6880 4.8007 4.8007 4.8072 4.8072 4.9339 4.9339 5.0944 5.0944 5.1047 5.1047 5.2345 5.2345 5.2706 5.2706 5.3319 5.3319 5.4067 5.4067 6.3412 6.3412 6.3852 6.3852 6.9914 6.9914 7.0148 7.0148 7.3239 7.3239 7.6948 7.6948 7.7413 7.7413 8.7285 8.7285 10.8663 10.8663 11.2176 11.2176 11.2616 11.2616 12.0589 12.0589 12.0898 12.0898 12.2637 12.2637 12.3129 12.3129 12.4778 12.4778 k = 0.3333 0.5774 0.8436 ( 6816 PWs) bands (ev): -31.3895 -31.3895 -31.3895 -31.3895 -31.3832 -31.3832 -12.7118 -12.7118 -12.6939 -12.6939 -12.6926 -12.6926 -12.3558 -12.3558 -12.3437 -12.3437 -12.3340 -12.3340 -12.3148 -12.3148 -12.2970 -12.2970 -12.2846 -12.2846 -1.1651 -1.1651 -0.8635 -0.8635 -0.8631 -0.8631 3.4166 3.4166 4.1496 4.1496 4.2101 4.2101 4.2552 4.2552 4.3703 4.3703 4.4733 4.4733 4.6880 4.6880 4.8007 4.8007 4.8072 4.8072 4.9339 4.9339 5.0944 5.0944 5.1047 5.1047 5.2345 5.2345 5.2706 5.2706 5.3319 5.3319 5.4067 5.4067 6.3412 6.3412 6.3852 6.3852 6.9914 6.9914 7.0148 7.0148 7.3239 7.3239 7.6948 7.6948 7.7413 7.7413 8.7285 8.7285 10.8663 10.8663 11.2176 11.2176 11.2616 11.2616 12.0589 12.0589 12.0898 12.0898 12.2637 12.2637 12.3129 12.3129 12.4778 12.4778 k = 0.3222 0.5581 0.8436 ( 6808 PWs) bands (ev): -31.3898 -31.3898 -31.3892 -31.3892 -31.3832 -31.3832 -12.7118 -12.7118 -12.6943 -12.6943 -12.6922 -12.6922 -12.3559 -12.3559 -12.3437 -12.3437 -12.3340 -12.3340 -12.3148 -12.3148 -12.2970 -12.2970 -12.2844 -12.2844 -1.1651 -1.1651 -0.8670 -0.8670 -0.8597 -0.8597 3.4171 3.4171 4.1496 4.1496 4.2096 4.2096 4.2546 4.2546 4.3718 4.3718 4.4741 4.4741 4.6873 4.6873 4.8007 4.8007 4.8068 4.8068 4.9340 4.9340 5.0943 5.0943 5.1051 5.1051 5.2340 5.2340 5.2711 5.2711 5.3322 5.3322 5.4067 5.4067 6.3333 6.3333 6.3953 6.3953 6.9533 6.9533 7.0401 7.0401 7.3376 7.3376 7.6943 7.6943 7.7408 7.7408 8.7253 8.7253 10.8674 10.8674 11.1965 11.1965 11.2719 11.2719 12.0453 12.0453 12.1018 12.1018 12.2584 12.2584 12.3302 12.3302 12.4775 12.4775 k = 0.3111 0.5389 0.8436 ( 6816 PWs) bands (ev): -31.3900 -31.3900 -31.3890 -31.3890 -31.3832 -31.3832 -12.7118 -12.7118 -12.6950 -12.6950 -12.6916 -12.6916 -12.3560 -12.3560 -12.3437 -12.3437 -12.3338 -12.3338 -12.3151 -12.3151 -12.2973 -12.2973 -12.2840 -12.2840 -1.1652 -1.1652 -0.8710 -0.8710 -0.8559 -0.8559 3.4188 3.4188 4.1494 4.1494 4.2078 4.2078 4.2535 4.2535 4.3757 4.3757 4.4762 4.4762 4.6853 4.6853 4.8006 4.8006 4.8054 4.8054 4.9345 4.9345 5.0938 5.0938 5.1062 5.1062 5.2324 5.2324 5.2728 5.2728 5.3329 5.3329 5.4065 5.4065 6.3190 6.3190 6.4161 6.4161 6.9082 6.9082 7.0452 7.0452 7.3799 7.3799 7.6928 7.6928 7.7392 7.7392 8.7155 8.7155 10.8709 10.8709 11.1507 11.1507 11.2863 11.2863 12.0207 12.0207 12.1208 12.1208 12.2526 12.2526 12.3724 12.3724 12.4767 12.4767 k = 0.3000 0.5196 0.8436 ( 6810 PWs) bands (ev): -31.3903 -31.3903 -31.3887 -31.3887 -31.3832 -31.3832 -12.7119 -12.7119 -12.6957 -12.6957 -12.6908 -12.6908 -12.3562 -12.3562 -12.3437 -12.3437 -12.3334 -12.3334 -12.3155 -12.3155 -12.2976 -12.2976 -12.2832 -12.2832 -1.1654 -1.1654 -0.8752 -0.8752 -0.8519 -0.8519 3.4217 3.4217 4.1493 4.1493 4.2045 4.2045 4.2529 4.2529 4.3814 4.3814 4.4794 4.4794 4.6823 4.6823 4.7991 4.7991 4.8040 4.8040 4.9355 4.9355 5.0933 5.0933 5.1080 5.1080 5.2299 5.2299 5.2758 5.2758 5.3342 5.3342 5.4061 5.4061 6.3053 6.3053 6.4411 6.4411 6.8651 6.8651 7.0287 7.0287 7.4423 7.4423 7.6905 7.6905 7.7368 7.7368 8.6993 8.6993 10.8767 10.8767 11.0922 11.0922 11.2960 11.2960 11.9926 11.9926 12.1387 12.1387 12.2533 12.2533 12.4307 12.4307 12.4756 12.4756 k = 0.2889 0.5004 0.8436 ( 6808 PWs) bands (ev): -31.3906 -31.3906 -31.3884 -31.3884 -31.3832 -31.3832 -12.7120 -12.7120 -12.6966 -12.6966 -12.6900 -12.6900 -12.3566 -12.3566 -12.3438 -12.3438 -12.3329 -12.3329 -12.3162 -12.3162 -12.2979 -12.2979 -12.2823 -12.2823 -1.1657 -1.1657 -0.8798 -0.8798 -0.8479 -0.8479 3.4258 3.4258 4.1493 4.1493 4.2000 4.2000 4.2533 4.2533 4.3876 4.3876 4.4836 4.4836 4.6786 4.6786 4.7947 4.7947 4.8038 4.8038 4.9370 4.9370 5.0928 5.0928 5.1105 5.1105 5.2269 5.2269 5.2797 5.2797 5.3361 5.3361 5.4054 5.4054 6.2937 6.2937 6.4686 6.4686 6.8242 6.8242 7.0002 7.0002 7.5137 7.5137 7.6876 7.6876 7.7340 7.7340 8.6771 8.6771 10.8850 10.8850 11.0260 11.0260 11.3007 11.3007 11.9621 11.9621 12.1538 12.1538 12.2601 12.2601 12.4726 12.4726 12.5033 12.5033 k = 0.2778 0.4811 0.8436 ( 6808 PWs) bands (ev): -31.3909 -31.3909 -31.3881 -31.3881 -31.3832 -31.3832 -12.7121 -12.7121 -12.6974 -12.6974 -12.6891 -12.6891 -12.3570 -12.3570 -12.3439 -12.3439 -12.3322 -12.3322 -12.3169 -12.3169 -12.2982 -12.2982 -12.2811 -12.2811 -1.1660 -1.1660 -0.8845 -0.8845 -0.8437 -0.8437 3.4313 3.4313 4.1493 4.1493 4.1949 4.1949 4.2548 4.2548 4.3937 4.3937 4.4886 4.4886 4.6745 4.6745 4.7880 4.7880 4.8040 4.8040 4.9392 4.9392 5.0922 5.0922 5.1136 5.1136 5.2239 5.2239 5.2842 5.2842 5.3390 5.3390 5.4042 5.4042 6.2848 6.2848 6.4982 6.4982 6.7857 6.7857 6.9658 6.9658 7.5854 7.5854 7.6849 7.6849 7.7317 7.7317 8.6492 8.6492 10.8949 10.8949 10.9569 10.9569 11.3015 11.3015 11.9295 11.9295 12.1651 12.1651 12.2713 12.2713 12.4708 12.4708 12.5846 12.5846 k = 0.2667 0.4619 0.8436 ( 6806 PWs) bands (ev): -31.3912 -31.3912 -31.3878 -31.3878 -31.3832 -31.3832 -12.7122 -12.7122 -12.6983 -12.6983 -12.6883 -12.6883 -12.3574 -12.3574 -12.3441 -12.3441 -12.3314 -12.3314 -12.3179 -12.3179 -12.2984 -12.2984 -12.2799 -12.2799 -1.1664 -1.1664 -0.8895 -0.8895 -0.8395 -0.8395 3.4381 3.4381 4.1493 4.1493 4.1897 4.1897 4.2571 4.2571 4.3988 4.3988 4.4943 4.4943 4.6704 4.6704 4.7796 4.7796 4.8041 4.8041 4.9421 4.9421 5.0915 5.0915 5.1170 5.1170 5.2214 5.2214 5.2887 5.2887 5.3432 5.3432 5.4026 5.4026 6.2787 6.2787 6.5295 6.5295 6.7493 6.7493 6.9282 6.9282 7.6433 7.6433 7.6887 7.6887 7.7341 7.7341 8.6159 8.6159 10.8794 10.8794 10.9156 10.9156 11.2998 11.2998 11.8951 11.8951 12.1720 12.1720 12.2850 12.2850 12.4682 12.4682 12.6742 12.6742 k = 0.2556 0.4426 0.8436 ( 6804 PWs) bands (ev): -31.3915 -31.3915 -31.3875 -31.3875 -31.3832 -31.3832 -12.7124 -12.7124 -12.6992 -12.6992 -12.6874 -12.6874 -12.3579 -12.3579 -12.3444 -12.3444 -12.3305 -12.3305 -12.3189 -12.3189 -12.2986 -12.2986 -12.2785 -12.2785 -1.1669 -1.1669 -0.8947 -0.8947 -0.8352 -0.8352 3.4462 3.4462 4.1494 4.1494 4.1849 4.1849 4.2599 4.2599 4.4025 4.4025 4.5007 4.5007 4.6664 4.6664 4.7702 4.7702 4.8040 4.8040 4.9456 4.9456 5.0905 5.0905 5.1207 5.1207 5.2196 5.2196 5.2928 5.2928 5.3493 5.3493 5.4005 5.4005 6.2754 6.2754 6.5623 6.5623 6.7152 6.7152 6.8891 6.8891 7.6568 7.6568 7.7058 7.7058 7.7625 7.7625 8.5778 8.5778 10.8147 10.8147 10.9291 10.9291 11.2967 11.2967 11.8590 11.8590 12.1739 12.1739 12.2997 12.2997 12.4652 12.4652 12.7695 12.7695 k = 0.2444 0.4234 0.8436 ( 6800 PWs) bands (ev): -31.3918 -31.3918 -31.3872 -31.3872 -31.3832 -31.3832 -12.7126 -12.7126 -12.7001 -12.7001 -12.6866 -12.6866 -12.3584 -12.3584 -12.3448 -12.3448 -12.3296 -12.3296 -12.3200 -12.3200 -12.2987 -12.2987 -12.2771 -12.2771 -1.1675 -1.1675 -0.9001 -0.9001 -0.8309 -0.8309 3.4556 3.4556 4.1495 4.1495 4.1809 4.1809 4.2632 4.2632 4.4044 4.4044 4.5074 4.5074 4.6630 4.6630 4.7601 4.7601 4.8035 4.8035 4.9496 4.9496 5.0892 5.0892 5.1243 5.1243 5.2189 5.2189 5.2962 5.2962 5.3576 5.3576 5.3980 5.3980 6.2749 6.2749 6.5959 6.5959 6.6837 6.6837 6.8494 6.8494 7.6509 7.6509 7.7087 7.7087 7.8177 7.8177 8.5352 8.5352 10.7529 10.7529 10.9478 10.9478 11.2933 11.2933 11.8216 11.8216 12.1704 12.1704 12.3146 12.3146 12.4618 12.4618 12.8686 12.8686 k = 0.2333 0.4041 0.8436 ( 6810 PWs) bands (ev): -31.3921 -31.3921 -31.3869 -31.3869 -31.3832 -31.3832 -12.7128 -12.7128 -12.7011 -12.7011 -12.6858 -12.6858 -12.3590 -12.3590 -12.3453 -12.3453 -12.3285 -12.3285 -12.3212 -12.3212 -12.2988 -12.2988 -12.2756 -12.2756 -1.1681 -1.1681 -0.9056 -0.9056 -0.8265 -0.8265 3.4662 3.4662 4.1496 4.1496 4.1777 4.1777 4.2668 4.2668 4.4041 4.4041 4.5143 4.5143 4.6601 4.6601 4.7500 4.7500 4.8027 4.8027 4.9540 4.9540 5.0875 5.0875 5.1275 5.1275 5.2194 5.2194 5.2986 5.2986 5.3684 5.3684 5.3950 5.3950 6.2771 6.2771 6.6247 6.6247 6.6600 6.6600 6.8096 6.8096 7.6413 7.6413 7.7070 7.7070 7.8725 7.8725 8.4887 8.4887 10.6990 10.6990 10.9692 10.9692 11.2901 11.2901 11.7832 11.7832 12.1612 12.1612 12.3291 12.3291 12.4581 12.4581 12.9694 12.9694 k = 0.2222 0.3849 0.8436 ( 6818 PWs) bands (ev): -31.3924 -31.3924 -31.3866 -31.3866 -31.3832 -31.3832 -12.7130 -12.7130 -12.7020 -12.7020 -12.6849 -12.6849 -12.3596 -12.3596 -12.3459 -12.3459 -12.3274 -12.3274 -12.3223 -12.3223 -12.2988 -12.2988 -12.2740 -12.2740 -1.1689 -1.1689 -0.9112 -0.9112 -0.8221 -0.8221 3.4779 3.4779 4.1496 4.1496 4.1757 4.1757 4.2705 4.2705 4.4018 4.4018 4.5209 4.5209 4.6579 4.6579 4.7405 4.7405 4.8017 4.8017 4.9586 4.9586 5.0855 5.0855 5.1301 5.1301 5.2213 5.2213 5.3002 5.3002 5.3811 5.3811 5.3923 5.3923 6.2817 6.2817 6.6153 6.6153 6.6766 6.6766 6.7707 6.7707 7.6301 7.6301 7.7044 7.7044 7.9199 7.9199 8.4390 8.4390 10.6552 10.6552 10.9931 10.9931 11.2876 11.2876 11.7439 11.7439 12.1462 12.1462 12.3428 12.3428 12.4540 12.4540 13.0694 13.0694 k = 0.2111 0.3657 0.8436 ( 6818 PWs) bands (ev): -31.3927 -31.3927 -31.3863 -31.3863 -31.3832 -31.3832 -12.7132 -12.7132 -12.7029 -12.7029 -12.6842 -12.6842 -12.3601 -12.3601 -12.3465 -12.3465 -12.3263 -12.3263 -12.3234 -12.3234 -12.2989 -12.2989 -12.2724 -12.2724 -1.1697 -1.1697 -0.9169 -0.9169 -0.8178 -0.8178 3.4906 3.4906 4.1495 4.1495 4.1746 4.1746 4.2744 4.2744 4.3974 4.3974 4.5271 4.5271 4.6562 4.6562 4.7321 4.7321 4.8007 4.8007 4.9633 4.9633 5.0832 5.0832 5.1321 5.1321 5.2244 5.2244 5.3014 5.3014 5.3858 5.3858 5.3998 5.3998 6.2887 6.2887 6.5894 6.5894 6.7065 6.7065 6.7380 6.7380 7.6181 7.6181 7.7014 7.7014 7.9577 7.9577 8.3865 8.3865 10.6235 10.6235 11.0191 11.0191 11.2862 11.2862 11.7041 11.7041 12.1258 12.1258 12.3559 12.3559 12.4496 12.4496 13.1430 13.1430 k = 0.2000 0.3464 0.8436 ( 6830 PWs) bands (ev): -31.3930 -31.3930 -31.3861 -31.3861 -31.3832 -31.3832 -12.7134 -12.7134 -12.7038 -12.7038 -12.6834 -12.6834 -12.3607 -12.3607 -12.3473 -12.3473 -12.3253 -12.3253 -12.3243 -12.3243 -12.2989 -12.2989 -12.2708 -12.2708 -1.1705 -1.1705 -0.9227 -0.9227 -0.8135 -0.8135 3.5042 3.5042 4.1493 4.1493 4.1744 4.1744 4.2783 4.2783 4.3913 4.3913 4.5325 4.5325 4.6548 4.6548 4.7256 4.7256 4.7997 4.7997 4.9679 4.9679 5.0806 5.0806 5.1334 5.1334 5.2283 5.2283 5.3023 5.3023 5.3820 5.3820 5.4179 5.4179 6.2977 6.2977 6.5628 6.5628 6.6872 6.6872 6.7578 6.7578 7.6056 7.6056 7.6980 7.6980 7.9845 7.9845 8.3320 8.3320 10.6050 10.6050 11.0468 11.0468 11.2860 11.2860 11.6641 11.6641 12.1005 12.1005 12.3681 12.3681 12.4448 12.4448 13.2028 13.2028 k = 0.1889 0.3272 0.8436 ( 6830 PWs) bands (ev): -31.3933 -31.3933 -31.3858 -31.3858 -31.3832 -31.3832 -12.7137 -12.7137 -12.7047 -12.7047 -12.6827 -12.6827 -12.3612 -12.3612 -12.3481 -12.3481 -12.3256 -12.3256 -12.3238 -12.3238 -12.2989 -12.2989 -12.2691 -12.2691 -1.1714 -1.1714 -0.9285 -0.9285 -0.8093 -0.8093 3.5186 3.5186 4.1492 4.1492 4.1750 4.1750 4.2821 4.2821 4.3837 4.3837 4.5368 4.5368 4.6534 4.6534 4.7213 4.7213 4.7990 4.7990 4.9722 4.9722 5.0779 5.0779 5.1341 5.1341 5.2326 5.2326 5.3035 5.3035 5.3774 5.3774 5.4390 5.4390 6.3085 6.3085 6.5368 6.5368 6.6508 6.6508 6.7967 6.7967 7.5929 7.5929 7.6943 7.6943 7.9999 7.9999 8.2760 8.2760 10.6004 10.6004 11.0761 11.0761 11.2871 11.2871 11.6242 11.6242 12.0709 12.0709 12.3796 12.3796 12.4397 12.4397 13.2625 13.2625 k = 0.1778 0.3079 0.8436 ( 6826 PWs) bands (ev): -31.3935 -31.3935 -31.3855 -31.3855 -31.3832 -31.3832 -12.7139 -12.7139 -12.7056 -12.7056 -12.6820 -12.6820 -12.3618 -12.3618 -12.3490 -12.3490 -12.3265 -12.3265 -12.3227 -12.3227 -12.2990 -12.2990 -12.2675 -12.2675 -1.1724 -1.1724 -0.9342 -0.9342 -0.8051 -0.8051 3.5335 3.5335 4.1490 4.1490 4.1761 4.1761 4.2858 4.2858 4.3752 4.3752 4.5398 4.5398 4.6520 4.6520 4.7191 4.7191 4.7991 4.7991 4.9761 4.9761 5.0752 5.0752 5.1344 5.1344 5.2369 5.2369 5.3051 5.3051 5.3725 5.3725 5.4625 5.4625 6.3208 6.3208 6.5111 6.5111 6.6143 6.6143 6.8375 6.8375 7.5805 7.5805 7.6900 7.6900 8.0038 8.0038 8.2191 8.2191 10.6097 10.6097 11.1063 11.1063 11.2893 11.2893 11.5847 11.5847 12.0382 12.0382 12.3905 12.3905 12.4344 12.4344 13.3215 13.3215 k = 0.1667 0.2887 0.8436 ( 6830 PWs) bands (ev): -31.3938 -31.3938 -31.3853 -31.3853 -31.3832 -31.3832 -12.7142 -12.7142 -12.7064 -12.7064 -12.6813 -12.6813 -12.3623 -12.3623 -12.3499 -12.3499 -12.3272 -12.3272 -12.3216 -12.3216 -12.2990 -12.2990 -12.2659 -12.2659 -1.1734 -1.1734 -0.9398 -0.9398 -0.8011 -0.8011 3.5487 3.5487 4.1488 4.1488 4.1776 4.1776 4.2890 4.2890 4.3665 4.3665 4.5413 4.5413 4.6510 4.6510 4.7186 4.7186 4.8002 4.8002 4.9795 4.9795 5.0727 5.0727 5.1343 5.1343 5.2405 5.2405 5.3075 5.3075 5.3676 5.3676 5.4884 5.4884 6.3342 6.3342 6.4858 6.4858 6.5787 6.5787 6.8792 6.8792 7.5685 7.5685 7.6850 7.6850 7.9969 7.9969 8.1619 8.1619 10.6324 10.6324 11.1368 11.1368 11.2926 11.2926 11.5459 11.5459 12.0037 12.0037 12.4007 12.4007 12.4288 12.4288 13.3421 13.3421 k = 0.1556 0.2694 0.8436 ( 6826 PWs) bands (ev): -31.3941 -31.3941 -31.3850 -31.3850 -31.3832 -31.3832 -12.7145 -12.7145 -12.7071 -12.7071 -12.6807 -12.6807 -12.3627 -12.3627 -12.3509 -12.3509 -12.3279 -12.3279 -12.3205 -12.3205 -12.2990 -12.2990 -12.2643 -12.2643 -1.1744 -1.1744 -0.9454 -0.9454 -0.7972 -0.7972 3.5642 3.5642 4.1485 4.1485 4.1793 4.1793 4.2914 4.2914 4.3584 4.3584 4.5410 4.5410 4.6507 4.6507 4.7190 4.7190 4.8027 4.8027 4.9824 4.9824 5.0704 5.0704 5.1340 5.1340 5.2431 5.2431 5.3106 5.3106 5.3632 5.3632 5.5163 5.5163 6.3485 6.3485 6.4605 6.4605 6.5442 6.5442 6.9212 6.9212 7.5571 7.5571 7.6793 7.6793 7.9805 7.9805 8.1051 8.1051 10.6672 10.6672 11.1668 11.1668 11.2970 11.2970 11.5081 11.5081 11.9689 11.9689 12.4097 12.4097 12.4236 12.4236 13.2880 13.2880 k = 0.1444 0.2502 0.8436 ( 6822 PWs) bands (ev): -31.3943 -31.3943 -31.3848 -31.3848 -31.3832 -31.3832 -12.7147 -12.7147 -12.7078 -12.7078 -12.6802 -12.6802 -12.3632 -12.3632 -12.3520 -12.3520 -12.3285 -12.3285 -12.3194 -12.3194 -12.2991 -12.2991 -12.2628 -12.2628 -1.1754 -1.1754 -0.9507 -0.9507 -0.7935 -0.7935 3.5797 3.5797 4.1480 4.1480 4.1812 4.1812 4.2923 4.2923 4.3519 4.3519 4.5391 4.5391 4.6514 4.6514 4.7197 4.7197 4.8069 4.8069 4.9847 4.9847 5.0685 5.0685 5.1335 5.1335 5.2444 5.2444 5.3137 5.3137 5.3602 5.3602 5.5461 5.5461 6.3632 6.3632 6.4350 6.4350 6.5111 6.5111 6.9633 6.9633 7.5464 7.5464 7.6726 7.6726 7.9559 7.9559 8.0493 8.0493 10.7125 10.7125 11.1953 11.1953 11.3022 11.3022 11.4716 11.4716 11.9359 11.9359 12.4127 12.4127 12.4239 12.4239 13.2268 13.2268 k = 0.1333 0.2309 0.8436 ( 6818 PWs) bands (ev): -31.3945 -31.3945 -31.3845 -31.3845 -31.3832 -31.3832 -12.7150 -12.7150 -12.7085 -12.7085 -12.6796 -12.6796 -12.3635 -12.3635 -12.3530 -12.3530 -12.3289 -12.3289 -12.3183 -12.3183 -12.2992 -12.2992 -12.2613 -12.2613 -1.1764 -1.1764 -0.9559 -0.9559 -0.7899 -0.7899 3.5950 3.5950 4.1471 4.1471 4.1831 4.1831 4.2911 4.2911 4.3482 4.3482 4.5356 4.5356 4.6532 4.6532 4.7200 4.7200 4.8129 4.8129 4.9866 4.9866 5.0669 5.0669 5.1329 5.1329 5.2445 5.2445 5.3153 5.3153 5.3602 5.3602 5.5776 5.5776 6.3775 6.3775 6.4095 6.4095 6.4797 6.4797 7.0054 7.0054 7.5366 7.5366 7.6650 7.6650 7.9248 7.9248 7.9951 7.9951 10.7664 10.7664 11.2210 11.2210 11.3080 11.3080 11.4368 11.4368 11.9067 11.9067 12.4076 12.4076 12.4318 12.4318 13.1601 13.1601 k = 0.1222 0.2117 0.8436 ( 6830 PWs) bands (ev): -31.3948 -31.3948 -31.3843 -31.3843 -31.3832 -31.3832 -12.7154 -12.7154 -12.7091 -12.7091 -12.6792 -12.6792 -12.3639 -12.3639 -12.3541 -12.3541 -12.3294 -12.3294 -12.3173 -12.3173 -12.2993 -12.2993 -12.2599 -12.2599 -1.1774 -1.1774 -0.9608 -0.9608 -0.7865 -0.7865 3.6099 3.6099 4.1458 4.1458 4.1851 4.1851 4.2875 4.2875 4.3476 4.3476 4.5308 4.5308 4.6557 4.6557 4.7200 4.7200 4.8205 4.8205 4.9882 4.9882 5.0656 5.0656 5.1322 5.1322 5.2436 5.2436 5.3137 5.3137 5.3645 5.3645 5.6106 5.6106 6.3790 6.3790 6.3958 6.3958 6.4501 6.4501 7.0472 7.0472 7.5277 7.5277 7.6561 7.6561 7.8892 7.8892 7.9430 7.9430 10.8268 10.8268 11.2423 11.2423 11.3141 11.3141 11.4038 11.4038 11.8838 11.8838 12.4012 12.4012 12.4406 12.4406 13.0894 13.0894 k = 0.1111 0.1925 0.8436 ( 6842 PWs) bands (ev): -31.3950 -31.3950 -31.3841 -31.3841 -31.3832 -31.3832 -12.7157 -12.7157 -12.7096 -12.7096 -12.6787 -12.6787 -12.3642 -12.3642 -12.3551 -12.3551 -12.3297 -12.3297 -12.3164 -12.3164 -12.2995 -12.2995 -12.2585 -12.2585 -1.1784 -1.1784 -0.9655 -0.9655 -0.7834 -0.7834 3.6242 3.6242 4.1439 4.1439 4.1869 4.1869 4.2824 4.2824 4.3498 4.3498 4.5250 4.5250 4.6588 4.6588 4.7196 4.7196 4.8294 4.8294 4.9897 4.9897 5.0647 5.0647 5.1315 5.1315 5.2418 5.2418 5.3091 5.3091 5.3729 5.3729 5.6446 5.6446 6.3534 6.3534 6.4052 6.4052 6.4250 6.4250 7.0884 7.0884 7.5198 7.5198 7.6459 7.6459 7.8509 7.8509 7.8935 7.8935 10.8917 10.8917 11.2579 11.2579 11.3201 11.3201 11.3731 11.3731 11.8697 11.8697 12.3946 12.3946 12.4494 12.4494 13.0161 13.0161 k = 0.1000 0.1732 0.8436 ( 6840 PWs) bands (ev): -31.3952 -31.3952 -31.3839 -31.3839 -31.3832 -31.3832 -12.7161 -12.7161 -12.7101 -12.7101 -12.6783 -12.6783 -12.3645 -12.3645 -12.3562 -12.3562 -12.3300 -12.3300 -12.3155 -12.3155 -12.2996 -12.2996 -12.2573 -12.2573 -1.1793 -1.1793 -0.9698 -0.9698 -0.7805 -0.7805 3.6378 3.6378 4.1414 4.1414 4.1887 4.1887 4.2766 4.2766 4.3540 4.3540 4.5185 4.5185 4.6620 4.6620 4.7191 4.7191 4.8393 4.8393 4.9911 4.9911 5.0641 5.0641 5.1310 5.1310 5.2395 5.2395 5.3026 5.3026 5.3841 5.3841 5.6795 5.6795 6.3259 6.3259 6.3905 6.3905 6.4262 6.4262 7.1289 7.1289 7.5129 7.5129 7.6344 7.6344 7.8118 7.8118 7.8470 7.8470 10.9587 10.9587 11.2670 11.2670 11.3241 11.3241 11.3463 11.3463 11.8663 11.8663 12.3879 12.3879 12.4581 12.4581 12.9410 12.9410 k = 0.0889 0.1540 0.8436 ( 6840 PWs) bands (ev): -31.3953 -31.3953 -31.3838 -31.3838 -31.3832 -31.3832 -12.7164 -12.7164 -12.7105 -12.7105 -12.6780 -12.6780 -12.3647 -12.3647 -12.3571 -12.3571 -12.3302 -12.3302 -12.3147 -12.3147 -12.2997 -12.2997 -12.2562 -12.2562 -1.1802 -1.1802 -0.9737 -0.9737 -0.7778 -0.7778 3.6504 3.6504 4.1384 4.1384 4.1903 4.1903 4.2710 4.2710 4.3595 4.3595 4.5115 4.5115 4.6649 4.6649 4.7186 4.7186 4.8497 4.8497 4.9926 4.9926 5.0639 5.0639 5.1305 5.1305 5.2366 5.2366 5.2951 5.2951 5.3971 5.3971 5.7148 5.7148 6.2983 6.2983 6.3652 6.3652 6.4384 6.4384 7.1684 7.1684 7.5069 7.5069 7.6213 7.6213 7.7734 7.7734 7.8039 7.8039 11.0259 11.0259 11.2691 11.2691 11.3142 11.3142 11.3354 11.3354 11.8747 11.8747 12.3815 12.3815 12.4666 12.4666 12.8652 12.8652 k = 0.0778 0.1347 0.8436 ( 6840 PWs) bands (ev): -31.3955 -31.3955 -31.3836 -31.3836 -31.3831 -31.3831 -12.7167 -12.7167 -12.7108 -12.7108 -12.6777 -12.6777 -12.3649 -12.3649 -12.3581 -12.3581 -12.3304 -12.3304 -12.3139 -12.3139 -12.2999 -12.2999 -12.2551 -12.2551 -1.1810 -1.1810 -0.9773 -0.9773 -0.7754 -0.7754 3.6620 3.6620 4.1349 4.1349 4.1918 4.1918 4.2660 4.2660 4.3658 4.3658 4.5042 4.5042 4.6674 4.6674 4.7182 4.7182 4.8602 4.8602 4.9941 4.9941 5.0642 5.0642 5.1302 5.1302 5.2333 5.2333 5.2871 5.2871 5.4109 5.4109 5.7501 5.7501 6.2711 6.2711 6.3399 6.3399 6.4502 6.4502 7.2067 7.2067 7.5016 7.5016 7.6067 7.6067 7.7373 7.7373 7.7644 7.7644 11.0910 11.0910 11.2648 11.2648 11.2930 11.2930 11.3385 11.3385 11.8946 11.8946 12.3755 12.3755 12.4748 12.4748 12.7892 12.7892 k = 0.0667 0.1155 0.8436 ( 6848 PWs) bands (ev): -31.3956 -31.3956 -31.3835 -31.3835 -31.3831 -31.3831 -12.7170 -12.7170 -12.7111 -12.7111 -12.6774 -12.6774 -12.3650 -12.3650 -12.3589 -12.3589 -12.3305 -12.3305 -12.3132 -12.3132 -12.3001 -12.3001 -12.2542 -12.2542 -1.1817 -1.1817 -0.9805 -0.9805 -0.7733 -0.7733 3.6724 3.6724 4.1313 4.1313 4.1932 4.1932 4.2618 4.2618 4.3726 4.3726 4.4968 4.4968 4.6693 4.6693 4.7181 4.7181 4.8703 4.8703 4.9954 4.9954 5.0651 5.0651 5.1301 5.1301 5.2297 5.2297 5.2791 5.2791 5.4251 5.4251 5.7849 5.7849 6.2451 6.2451 6.3152 6.3152 6.4610 6.4610 7.2436 7.2436 7.4969 7.4969 7.5908 7.5908 7.7046 7.7046 7.7290 7.7290 11.1517 11.1517 11.2558 11.2558 11.2736 11.2736 11.3427 11.3427 11.9247 11.9247 12.3699 12.3699 12.4825 12.4825 12.7137 12.7137 k = 0.0556 0.0962 0.8436 ( 6844 PWs) bands (ev): -31.3957 -31.3957 -31.3834 -31.3834 -31.3831 -31.3831 -12.7173 -12.7173 -12.7113 -12.7113 -12.6772 -12.6772 -12.3650 -12.3650 -12.3597 -12.3597 -12.3306 -12.3306 -12.3126 -12.3126 -12.3003 -12.3003 -12.2534 -12.2534 -1.1823 -1.1823 -0.9832 -0.9832 -0.7715 -0.7715 3.6814 3.6814 4.1276 4.1276 4.1943 4.1943 4.2584 4.2584 4.3794 4.3794 4.4895 4.4895 4.6706 4.6706 4.7182 4.7182 4.8798 4.8798 4.9964 4.9964 5.0669 5.0669 5.1302 5.1302 5.2257 5.2257 5.2718 5.2718 5.4388 5.4388 5.8184 5.8184 6.2209 6.2209 6.2914 6.2914 6.4705 6.4705 7.2787 7.2787 7.4926 7.4926 7.5739 7.5739 7.6762 7.6762 7.6980 7.6980 11.2042 11.2042 11.2464 11.2464 11.2568 11.2568 11.3473 11.3473 11.9634 11.9634 12.3649 12.3649 12.4895 12.4895 12.6395 12.6395 k = 0.0444 0.0770 0.8436 ( 6840 PWs) bands (ev): -31.3958 -31.3958 -31.3833 -31.3833 -31.3831 -31.3831 -12.7175 -12.7175 -12.7115 -12.7115 -12.6770 -12.6770 -12.3650 -12.3650 -12.3604 -12.3604 -12.3307 -12.3307 -12.3120 -12.3120 -12.3004 -12.3004 -12.2527 -12.2527 -1.1828 -1.1828 -0.9854 -0.9854 -0.7700 -0.7700 3.6890 3.6890 4.1242 4.1242 4.1953 4.1953 4.2557 4.2557 4.3862 4.3862 4.4825 4.4825 4.6715 4.6715 4.7185 4.7185 4.8882 4.8882 4.9970 4.9970 5.0695 5.0695 5.1304 5.1304 5.2213 5.2213 5.2654 5.2654 5.4515 5.4515 5.8497 5.8497 6.1991 6.1991 6.2689 6.2689 6.4784 6.4784 7.3118 7.3118 7.4882 7.4882 7.5567 7.5567 7.6528 7.6528 7.6716 7.6716 11.2240 11.2240 11.2417 11.2417 11.2621 11.2621 11.3520 11.3520 12.0084 12.0084 12.3606 12.3606 12.4949 12.4949 12.5678 12.5678 k = 0.0333 0.0577 0.8436 ( 6854 PWs) bands (ev): -31.3959 -31.3959 -31.3832 -31.3832 -31.3831 -31.3831 -12.7177 -12.7177 -12.7116 -12.7116 -12.6768 -12.6768 -12.3650 -12.3650 -12.3610 -12.3610 -12.3308 -12.3308 -12.3116 -12.3116 -12.3006 -12.3006 -12.2523 -12.2523 -1.1832 -1.1832 -0.9872 -0.9872 -0.7689 -0.7689 3.6949 3.6949 4.1213 4.1213 4.1960 4.1960 4.2537 4.2537 4.3924 4.3924 4.4762 4.4762 4.6719 4.6719 4.7188 4.7188 4.8952 4.8952 4.9971 4.9971 5.0725 5.0725 5.1306 5.1306 5.2169 5.2169 5.2602 5.2602 5.4624 5.4624 5.8775 5.8775 6.1806 6.1806 6.2488 6.2488 6.4846 6.4846 7.3423 7.3423 7.4829 7.4829 7.5406 7.5406 7.6348 7.6348 7.6500 7.6500 11.2166 11.2166 11.2295 11.2295 11.2959 11.2959 11.3574 11.3574 12.0578 12.0578 12.3572 12.3572 12.4861 12.4861 12.5123 12.5123 k = 0.0222 0.0385 0.8436 ( 6862 PWs) bands (ev): -31.3959 -31.3959 -31.3832 -31.3832 -31.3831 -31.3831 -12.7179 -12.7179 -12.7117 -12.7117 -12.6768 -12.6768 -12.3650 -12.3650 -12.3614 -12.3614 -12.3308 -12.3308 -12.3113 -12.3113 -12.3007 -12.3007 -12.2519 -12.2519 -1.1835 -1.1835 -0.9885 -0.9885 -0.7680 -0.7680 3.6993 3.6993 4.1190 4.1190 4.1965 4.1965 4.2524 4.2524 4.3976 4.3976 4.4708 4.4708 4.6722 4.6722 4.7191 4.7191 4.9004 4.9004 4.9969 4.9969 5.0754 5.0754 5.1310 5.1310 5.2130 5.2130 5.2566 5.2566 5.4708 5.4708 5.9001 5.9001 6.1662 6.1662 6.2325 6.2325 6.4891 6.4891 7.3692 7.3692 7.4758 7.4758 7.5275 7.5275 7.6227 7.6227 7.6334 7.6334 11.2094 11.2094 11.2201 11.2201 11.3199 11.3199 11.3642 11.3642 12.1084 12.1084 12.3546 12.3546 12.4288 12.4288 12.5091 12.5091 k = 0.0111 0.0192 0.8436 ( 6874 PWs) bands (ev): -31.3960 -31.3960 -31.3832 -31.3832 -31.3831 -31.3831 -12.7179 -12.7179 -12.7118 -12.7118 -12.6767 -12.6767 -12.3649 -12.3649 -12.3617 -12.3617 -12.3309 -12.3309 -12.3111 -12.3111 -12.3008 -12.3008 -12.2517 -12.2517 -1.1837 -1.1837 -0.9893 -0.9893 -0.7675 -0.7675 3.7019 3.7019 4.1176 4.1176 4.1968 4.1968 4.2516 4.2516 4.4011 4.4011 4.4672 4.4672 4.6723 4.6723 4.7193 4.7193 4.9037 4.9037 4.9966 4.9966 5.0775 5.0775 5.1312 5.1312 5.2102 5.2102 5.2544 5.2544 5.4762 5.4762 5.9152 5.9152 6.1569 6.1569 6.2216 6.2216 6.4919 6.4919 7.3900 7.3900 7.4673 7.4673 7.5193 7.5193 7.6165 7.6165 7.6221 7.6221 11.2048 11.2048 11.2143 11.2143 11.3319 11.3319 11.3713 11.3713 12.1534 12.1534 12.3530 12.3530 12.3763 12.3763 12.5110 12.5110 k = 0.0000 0.0000 0.8436 ( 6882 PWs) bands (ev): -31.3960 -31.3960 -31.3832 -31.3832 -31.3831 -31.3831 -12.7180 -12.7180 -12.7118 -12.7118 -12.6767 -12.6767 -12.3649 -12.3649 -12.3618 -12.3618 -12.3309 -12.3309 -12.3111 -12.3111 -12.3008 -12.3008 -12.2516 -12.2516 -1.1838 -1.1838 -0.9895 -0.9895 -0.7674 -0.7674 3.7027 3.7027 4.1171 4.1171 4.1969 4.1969 4.2514 4.2514 4.4024 4.4024 4.4658 4.4658 4.6723 4.6723 4.7193 4.7193 4.9048 4.9048 4.9964 4.9964 5.0783 5.0783 5.1313 5.1313 5.2091 5.2091 5.2537 5.2537 5.4780 5.4780 5.9205 5.9205 6.1537 6.1537 6.2178 6.2178 6.4928 6.4928 7.3988 7.3988 7.4626 7.4626 7.5166 7.5166 7.6161 7.6161 7.6166 7.6166 11.2032 11.2032 11.2123 11.2123 11.3352 11.3352 11.3744 11.3744 12.1744 12.1744 12.3513 12.3513 12.3539 12.3539 12.5118 12.5118 k = 0.5000 0.2887 0.8436 ( 6796 PWs) bands (ev): -31.3916 -31.3916 -31.3874 -31.3874 -31.3832 -31.3832 -12.7133 -12.7133 -12.6983 -12.6983 -12.6875 -12.6875 -12.3595 -12.3595 -12.3405 -12.3405 -12.3310 -12.3310 -12.3198 -12.3198 -12.3021 -12.3021 -12.2758 -12.2758 -1.1672 -1.1672 -0.8920 -0.8920 -0.8387 -0.8387 3.4535 3.4535 4.1394 4.1394 4.1705 4.1705 4.2207 4.2207 4.4323 4.4323 4.5798 4.5798 4.6771 4.6771 4.7413 4.7413 4.8630 4.8630 4.9793 4.9793 5.0477 5.0477 5.1384 5.1384 5.1779 5.1779 5.2555 5.2555 5.3544 5.3544 5.4288 5.4288 6.1765 6.1765 6.2178 6.2178 6.7049 6.7049 7.5628 7.5628 7.6194 7.6194 7.7370 7.7370 7.8247 7.8247 8.2476 8.2476 10.7705 10.7705 10.9374 10.9374 11.0642 11.0642 11.8657 11.8657 12.2322 12.2322 12.4430 12.4430 12.4822 12.4822 12.5233 12.5233 k = 0.5000 0.2887 0.8208 ( 6806 PWs) bands (ev): -31.3916 -31.3916 -31.3874 -31.3874 -31.3832 -31.3832 -12.7133 -12.7133 -12.6983 -12.6982 -12.6876 -12.6875 -12.3596 -12.3595 -12.3406 -12.3403 -12.3311 -12.3310 -12.3199 -12.3197 -12.3021 -12.3021 -12.2758 -12.2758 -1.1679 -1.1679 -0.8927 -0.8926 -0.8390 -0.8389 3.4534 3.4546 4.1393 4.1396 4.1680 4.1725 4.2150 4.2270 4.4300 4.4347 4.5771 4.5817 4.6768 4.6773 4.7324 4.7495 4.8628 4.8628 4.9682 4.9868 5.0397 5.0550 5.1334 5.1425 5.1641 5.1925 5.2534 5.2592 5.3345 5.3753 5.4211 5.4387 6.1694 6.1725 6.2186 6.2214 6.7073 6.7103 7.5642 7.5699 7.6195 7.6198 7.7244 7.7429 7.8176 7.8386 8.2470 8.2507 10.7727 10.7741 10.9290 10.9392 11.0616 11.0730 11.8651 11.8664 12.2279 12.2308 12.4377 12.4411 12.4777 12.4827 12.5266 12.5284 k = 0.5000 0.2887 0.7980 ( 6802 PWs) bands (ev): -31.3917 -31.3917 -31.3874 -31.3874 -31.3832 -31.3832 -12.7133 -12.7132 -12.6983 -12.6981 -12.6875 -12.6874 -12.3596 -12.3594 -12.3407 -12.3400 -12.3310 -12.3308 -12.3199 -12.3195 -12.3021 -12.3020 -12.2758 -12.2757 -1.1701 -1.1700 -0.8946 -0.8945 -0.8395 -0.8393 3.4542 3.4567 4.1395 4.1399 4.1652 4.1739 4.2101 4.2337 4.4278 4.4372 4.5737 4.5827 4.6763 4.6776 4.7232 4.7567 4.8622 4.8623 4.9535 4.9915 5.0319 5.0608 5.1280 5.1449 5.1537 5.2043 5.2516 5.2659 5.3191 5.3821 5.4302 5.4491 6.1491 6.1587 6.2226 6.2324 6.7173 6.7224 7.5736 7.5846 7.6205 7.6211 7.7092 7.7392 7.8208 7.8555 8.2488 8.2562 10.7807 10.7835 10.9164 10.9338 11.0660 11.0859 11.8648 11.8673 12.2188 12.2243 12.4286 12.4333 12.4677 12.4738 12.5385 12.5436 k = 0.5000 0.2887 0.7752 ( 6796 PWs) bands (ev): -31.3917 -31.3917 -31.3874 -31.3874 -31.3832 -31.3832 -12.7133 -12.7132 -12.6983 -12.6979 -12.6874 -12.6872 -12.3597 -12.3593 -12.3407 -12.3396 -12.3309 -12.3306 -12.3198 -12.3193 -12.3020 -12.3020 -12.2758 -12.2757 -1.1738 -1.1737 -0.8977 -0.8975 -0.8403 -0.8401 3.4561 3.4599 4.1398 4.1404 4.1623 4.1743 4.2063 4.2407 4.4257 4.4398 4.5695 4.5825 4.6756 4.6778 4.7144 4.7627 4.8610 4.8615 4.9362 4.9940 5.0244 5.0643 5.1226 5.1413 5.1511 5.2103 5.2491 5.2742 5.3100 5.3705 5.4606 5.4617 6.1181 6.1344 6.2324 6.2502 6.7335 6.7396 7.5873 7.6018 7.6249 7.6269 7.6942 7.7294 7.8314 7.8732 8.2532 8.2639 10.7943 10.7988 10.9017 10.9231 11.0757 11.1010 11.8643 11.8680 12.2058 12.2134 12.4182 12.4233 12.4494 12.4554 12.5584 12.5665 k = 0.5000 0.2887 0.7524 ( 6796 PWs) bands (ev): -31.3917 -31.3917 -31.3874 -31.3874 -31.3832 -31.3832 -12.7133 -12.7131 -12.6982 -12.6977 -12.6873 -12.6869 -12.3597 -12.3592 -12.3406 -12.3392 -12.3308 -12.3304 -12.3196 -12.3190 -12.3019 -12.3018 -12.2758 -12.2756 -1.1788 -1.1787 -0.9021 -0.9018 -0.8415 -0.8411 3.4589 3.4639 4.1403 4.1409 4.1594 4.1733 4.2040 4.2481 4.4238 4.4425 4.5644 4.5804 4.6744 4.6781 4.7068 4.7674 4.8588 4.8606 4.9182 4.9949 5.0171 5.0656 5.1180 5.1353 5.1524 5.2113 5.2455 5.2774 5.3085 5.3537 5.4800 5.4993 6.0798 6.1009 6.2485 6.2735 6.7544 6.7603 7.5963 7.6102 7.6387 7.6444 7.6827 7.7214 7.8452 7.8908 8.2600 8.2738 10.8130 10.8197 10.8870 10.9096 11.0884 11.1167 11.8632 11.8678 12.1902 12.1994 12.4068 12.4124 12.4242 12.4305 12.5835 12.5940 k = 0.5000 0.2887 0.7296 ( 6812 PWs) bands (ev): -31.3917 -31.3917 -31.3875 -31.3875 -31.3832 -31.3832 -12.7132 -12.7130 -12.6982 -12.6975 -12.6871 -12.6867 -12.3597 -12.3591 -12.3405 -12.3387 -12.3307 -12.3301 -12.3194 -12.3186 -12.3018 -12.3017 -12.2758 -12.2756 -1.1852 -1.1850 -0.9076 -0.9072 -0.8430 -0.8426 3.4627 3.4690 4.1408 4.1411 4.1566 4.1709 4.2031 4.2556 4.4218 4.4453 4.5582 4.5760 4.6723 4.6785 4.7014 4.7707 4.8550 4.8595 4.9017 4.9944 5.0092 5.0649 5.1143 5.1302 5.1535 5.2094 5.2399 5.2750 5.3095 5.3363 5.5067 5.5429 6.0368 6.0608 6.2706 6.3013 6.7782 6.7831 7.5967 7.6123 7.6510 7.6583 7.6894 7.7292 7.8597 7.9076 8.2691 8.2857 10.8340 10.8457 10.8758 10.8958 11.1023 11.1324 11.8608 11.8661 12.1731 12.1835 12.3939 12.3946 12.4007 12.4019 12.6120 12.6244 k = 0.5000 0.2887 0.7068 ( 6808 PWs) bands (ev): -31.3917 -31.3917 -31.3875 -31.3875 -31.3833 -31.3833 -12.7132 -12.7129 -12.6980 -12.6973 -12.6868 -12.6864 -12.3598 -12.3590 -12.3403 -12.3382 -12.3305 -12.3298 -12.3191 -12.3182 -12.3016 -12.3015 -12.2758 -12.2755 -1.1928 -1.1926 -0.9142 -0.9138 -0.8449 -0.8443 3.4673 3.4749 4.1407 4.1412 4.1544 4.1674 4.2035 4.2635 4.4198 4.4482 4.5507 4.5690 4.6694 4.6789 4.6989 4.7724 4.8486 4.8584 4.8888 4.9929 5.0002 5.0629 5.1116 5.1261 5.1543 5.2060 5.2316 5.2710 5.3063 5.3204 5.5427 5.5901 5.9914 6.0164 6.2979 6.3330 6.8039 6.8074 7.5919 7.6131 7.6479 7.6546 7.7240 7.7619 7.8740 7.9233 8.2805 8.2993 10.8428 10.8699 10.8835 10.8897 11.1165 11.1475 11.8561 11.8618 12.1554 12.1669 12.3632 12.3691 12.3823 12.3879 12.6427 12.6567 k = 0.5000 0.2887 0.6840 ( 6796 PWs) bands (ev): -31.3918 -31.3918 -31.3875 -31.3875 -31.3833 -31.3833 -12.7131 -12.7128 -12.6978 -12.6970 -12.6865 -12.6860 -12.3597 -12.3589 -12.3401 -12.3376 -12.3302 -12.3294 -12.3187 -12.3177 -12.3014 -12.3013 -12.2758 -12.2755 -1.2016 -1.2014 -0.9219 -0.9214 -0.8470 -0.8464 3.4729 3.4819 4.1393 4.1414 4.1530 4.1634 4.2047 4.2715 4.4178 4.4510 4.5417 4.5593 4.6659 4.6794 4.6992 4.7726 4.8397 4.8572 4.8805 4.9896 4.9901 5.0603 5.1094 5.1226 5.1547 5.2020 5.2202 5.2670 5.2978 5.3075 5.5860 5.6396 5.9459 5.9700 6.3297 6.3682 6.8307 6.8325 7.5838 7.6136 7.6436 7.6442 7.7693 7.8080 7.8875 7.9379 8.2939 8.3146 10.8351 10.8646 10.9148 10.9200 11.1302 11.1616 11.8482 11.8539 12.1376 12.1502 12.3323 12.3387 12.3674 12.3738 12.6749 12.6904 k = 0.5000 0.2887 0.6612 ( 6816 PWs) bands (ev): -31.3918 -31.3918 -31.3876 -31.3876 -31.3834 -31.3834 -12.7130 -12.7127 -12.6977 -12.6967 -12.6863 -12.6856 -12.3597 -12.3588 -12.3399 -12.3371 -12.3300 -12.3289 -12.3183 -12.3172 -12.3011 -12.3011 -12.2758 -12.2754 -1.2115 -1.2113 -0.9305 -0.9300 -0.8495 -0.8488 3.4794 3.4896 4.1366 4.1409 4.1525 4.1591 4.2064 4.2797 4.4156 4.4537 4.5308 4.5472 4.6623 4.6798 4.7015 4.7711 4.8298 4.8560 4.8757 4.9768 4.9863 5.0576 5.1074 5.1193 5.1550 5.1976 5.2063 5.2628 5.2856 5.2979 5.6339 5.6894 5.9030 5.9240 6.3653 6.4064 6.8581 6.8582 7.5736 7.6125 7.6335 7.6435 7.8193 7.8597 7.9001 7.9514 8.3090 8.3311 10.8257 10.8545 10.9552 10.9622 11.1431 11.1746 11.8361 11.8411 12.1202 12.1338 12.3041 12.3106 12.3514 12.3582 12.7079 12.7247 k = 0.5000 0.2887 0.6384 ( 6812 PWs) bands (ev): -31.3919 -31.3919 -31.3876 -31.3876 -31.3834 -31.3834 -12.7129 -12.7125 -12.6974 -12.6964 -12.6859 -12.6852 -12.3597 -12.3587 -12.3395 -12.3364 -12.3298 -12.3285 -12.3177 -12.3166 -12.3009 -12.3007 -12.2757 -12.2753 -1.2225 -1.2222 -0.9401 -0.9396 -0.8522 -0.8515 3.4867 3.4983 4.1331 4.1394 4.1526 4.1555 4.2084 4.2881 4.4131 4.4563 4.5182 4.5334 4.6587 4.6801 4.7053 4.7685 4.8207 4.8548 4.8728 4.9615 4.9813 5.0554 5.1051 5.1159 5.1553 5.1913 5.1930 5.2573 5.2724 5.2911 5.6822 5.7330 5.8700 5.8821 6.4042 6.4472 6.8845 6.8859 7.5628 7.6061 7.6305 7.6462 7.8718 7.9113 7.9147 7.9641 8.3256 8.3486 10.8180 10.8464 11.0014 11.0099 11.1549 11.1862 11.8189 11.8227 12.1035 12.1183 12.2805 12.2868 12.3344 12.3414 12.7411 12.7593 k = 0.5000 0.2887 0.6156 ( 6806 PWs) bands (ev): -31.3919 -31.3919 -31.3877 -31.3877 -31.3834 -31.3834 -12.7127 -12.7123 -12.6972 -12.6960 -12.6855 -12.6847 -12.3597 -12.3586 -12.3392 -12.3357 -12.3295 -12.3280 -12.3170 -12.3160 -12.3005 -12.3004 -12.2756 -12.2752 -1.2343 -1.2340 -0.9505 -0.9499 -0.8553 -0.8545 3.4948 3.5078 4.1289 4.1364 4.1528 4.1529 4.2105 4.2966 4.4100 4.4586 4.5039 4.5188 4.6550 4.6799 4.7103 4.7652 4.8129 4.8538 4.8708 4.9438 4.9752 5.0539 5.1022 5.1122 5.1555 5.1769 5.1884 5.2465 5.2633 5.2862 5.7204 5.7488 5.8546 5.8686 6.4459 6.4904 6.9112 6.9139 7.5522 7.5958 7.6346 7.6521 7.9223 7.9240 7.9699 7.9773 8.3432 8.3667 10.8131 10.8413 11.0525 11.0622 11.1654 11.1964 11.7964 11.7984 12.0873 12.1037 12.2625 12.2682 12.3165 12.3234 12.7740 12.7937 k = 0.5000 0.2887 0.5928 ( 6808 PWs) bands (ev): -31.3920 -31.3920 -31.3878 -31.3878 -31.3835 -31.3835 -12.7126 -12.7122 -12.6969 -12.6957 -12.6851 -12.6843 -12.3597 -12.3585 -12.3388 -12.3351 -12.3292 -12.3274 -12.3163 -12.3152 -12.3002 -12.3000 -12.2756 -12.2751 -1.2469 -1.2466 -0.9616 -0.9610 -0.8586 -0.8578 3.5037 3.5181 4.1244 4.1319 4.1511 4.1531 4.2126 4.3053 4.4060 4.4605 4.4880 4.5040 4.6511 4.6789 4.7159 4.7620 4.8063 4.8529 4.8687 4.9240 4.9682 5.0529 5.0985 5.1079 5.1547 5.1651 5.1837 5.2306 5.2590 5.2826 5.7248 5.7279 5.8653 5.9080 6.4900 6.5355 6.9384 6.9421 7.5427 7.5853 7.6429 7.6613 7.9320 7.9667 7.9993 8.0253 8.3615 8.3853 10.8113 10.8395 11.1077 11.1186 11.1745 11.2051 11.7685 11.7688 12.0716 12.0900 12.2504 12.2554 12.2986 12.3047 12.8061 12.8273 k = 0.5000 0.2887 0.5700 ( 6804 PWs) bands (ev): -31.3921 -31.3921 -31.3878 -31.3878 -31.3835 -31.3835 -12.7124 -12.7120 -12.6966 -12.6953 -12.6846 -12.6838 -12.3597 -12.3584 -12.3383 -12.3344 -12.3289 -12.3269 -12.3154 -12.3145 -12.2997 -12.2996 -12.2755 -12.2750 -1.2601 -1.2598 -0.9734 -0.9728 -0.8622 -0.8613 3.5133 3.5292 4.1194 4.1264 4.1499 4.1531 4.2147 4.3140 4.4007 4.4619 4.4709 4.4898 4.6469 4.6769 4.7219 4.7594 4.8004 4.8520 4.8654 4.9038 4.9604 5.0523 5.0941 5.1029 5.1488 5.1607 5.1784 5.2139 5.2562 5.2797 5.6951 5.6985 5.9106 5.9635 6.5358 6.5822 6.9661 6.9705 7.5347 7.5760 7.6549 7.6742 7.9409 7.9855 8.0435 8.0794 8.3802 8.4039 10.8127 10.8412 11.1664 11.1779 11.1822 11.2123 11.7344 11.7372 12.0559 12.0767 12.2437 12.2477 12.2816 12.2863 12.8368 12.8596 k = 0.5000 0.2887 0.5472 ( 6808 PWs) bands (ev): -31.3921 -31.3921 -31.3879 -31.3879 -31.3836 -31.3836 -12.7122 -12.7118 -12.6963 -12.6949 -12.6841 -12.6833 -12.3597 -12.3583 -12.3379 -12.3337 -12.3286 -12.3263 -12.3145 -12.3136 -12.2993 -12.2991 -12.2754 -12.2749 -1.2739 -1.2737 -0.9858 -0.9851 -0.8661 -0.8651 3.5236 3.5409 4.1141 4.1201 4.1487 4.1528 4.2166 4.3226 4.3934 4.4525 4.4630 4.4771 4.6422 4.6734 4.7281 4.7576 4.7949 4.8511 4.8570 4.8875 4.9519 5.0518 5.0893 5.0972 5.1404 5.1613 5.1710 5.1991 5.2540 5.2773 5.6612 5.6640 5.9681 6.0238 6.5830 6.6301 6.9946 6.9994 7.5285 7.5685 7.6707 7.6910 7.9491 7.9960 8.0937 8.1314 8.3989 8.4223 10.8173 10.8464 11.1875 11.2156 11.2302 11.2407 11.6974 11.7029 12.0394 12.0633 12.2413 12.2440 12.2674 12.2697 12.8654 12.8899 k = 0.5000 0.2887 0.5244 ( 6824 PWs) bands (ev): -31.3922 -31.3922 -31.3879 -31.3879 -31.3837 -31.3837 -12.7121 -12.7116 -12.6960 -12.6946 -12.6837 -12.6828 -12.3597 -12.3583 -12.3375 -12.3332 -12.3283 -12.3258 -12.3136 -12.3128 -12.2988 -12.2986 -12.2753 -12.2748 -1.2882 -1.2879 -0.9986 -0.9979 -0.8701 -0.8692 3.5346 3.5534 4.1086 4.1134 4.1474 4.1520 4.2185 4.3310 4.3838 4.4339 4.4631 4.4663 4.6372 4.6683 4.7341 4.7558 4.7896 4.8402 4.8500 4.8799 4.9432 5.0511 5.0844 5.0911 5.1331 5.1590 5.1630 5.1890 5.2523 5.2752 5.6292 5.6296 6.0291 6.0853 6.6311 6.6788 7.0241 7.0290 7.5246 7.5633 7.6908 7.7120 7.9568 8.0048 8.1427 8.1805 8.4175 8.4405 10.8248 10.8548 11.1915 11.2209 11.2925 11.3044 11.6592 11.6675 12.0213 12.0487 12.2407 12.2414 12.2583 12.2596 12.8913 12.9175 k = 0.5000 0.2887 0.5016 ( 6830 PWs) bands (ev): -31.3923 -31.3923 -31.3880 -31.3880 -31.3837 -31.3837 -12.7119 -12.7115 -12.6957 -12.6942 -12.6832 -12.6822 -12.3597 -12.3583 -12.3371 -12.3326 -12.3279 -12.3252 -12.3126 -12.3118 -12.2982 -12.2980 -12.2751 -12.2746 -1.3028 -1.3025 -1.0118 -1.0111 -0.8743 -0.8734 3.5461 3.5665 4.1027 4.1063 4.1457 4.1508 4.2202 4.3387 4.3718 4.4153 4.4576 4.4624 4.6317 4.6615 4.7399 4.7523 4.7844 4.8211 4.8482 4.8774 4.9349 5.0495 5.0801 5.0847 5.1272 5.1424 5.1651 5.1838 5.2510 5.2734 5.5976 5.6000 6.0905 6.1463 6.6795 6.7277 7.0552 7.0599 7.5234 7.5609 7.7153 7.7375 7.9640 8.0128 8.1890 8.2263 8.4356 8.4580 10.8345 10.8658 11.1939 11.2236 11.3565 11.3681 11.6217 11.6326 12.0008 12.0323 12.2378 12.2386 12.2571 12.2605 12.9136 12.9415 k = 0.5000 0.2887 0.4788 ( 6840 PWs) bands (ev): -31.3924 -31.3924 -31.3881 -31.3881 -31.3838 -31.3838 -12.7118 -12.7113 -12.6953 -12.6938 -12.6826 -12.6817 -12.3597 -12.3583 -12.3366 -12.3321 -12.3274 -12.3247 -12.3115 -12.3108 -12.2977 -12.2974 -12.2750 -12.2744 -1.3176 -1.3173 -1.0252 -1.0245 -0.8787 -0.8777 3.5582 3.5801 4.0966 4.0989 4.1437 4.1491 4.2217 4.3447 4.3577 4.3981 4.4508 4.4608 4.6259 4.6526 4.7441 4.7452 4.7796 4.8065 4.8454 4.8766 4.9275 5.0464 5.0770 5.0783 5.1225 5.1238 5.1675 5.1811 5.2501 5.2718 5.5690 5.5740 6.1508 6.2055 6.7274 6.7762 7.0886 7.0927 7.5252 7.5617 7.7444 7.7677 7.9708 8.0206 8.2319 8.2681 8.4532 8.4749 10.8452 10.8782 11.1951 11.2254 11.4193 11.4294 11.5866 11.5996 11.9780 12.0137 12.2364 12.2392 12.2635 12.2671 12.9318 12.9612 k = 0.5000 0.2887 0.4560 ( 6836 PWs) bands (ev): -31.3924 -31.3924 -31.3882 -31.3882 -31.3839 -31.3839 -12.7116 -12.7111 -12.6949 -12.6934 -12.6821 -12.6812 -12.3597 -12.3583 -12.3362 -12.3318 -12.3269 -12.3241 -12.3104 -12.3098 -12.2970 -12.2968 -12.2748 -12.2742 -1.3325 -1.3323 -1.0388 -1.0381 -0.8832 -0.8822 3.5708 3.5943 4.0902 4.0912 4.1412 4.1468 4.2231 4.3422 4.3453 4.3857 4.4451 4.4584 4.6198 4.6412 4.7298 4.7500 4.7756 4.7994 4.8411 4.8764 4.9219 5.0413 5.0721 5.0746 5.1056 5.1189 5.1701 5.1797 5.2495 5.2703 5.5439 5.5512 6.2084 6.2616 6.7743 6.8235 7.1252 7.1283 7.5306 7.5664 7.7783 7.8027 7.9775 8.0284 8.2708 8.3058 8.4701 8.4911 10.8556 10.8904 11.1957 11.2269 11.4784 11.4837 11.5573 11.5700 11.9542 11.9940 12.2413 12.2461 12.2733 12.2768 12.9450 12.9756 k = 0.5000 0.2887 0.4332 ( 6834 PWs) bands (ev): -31.3925 -31.3925 -31.3882 -31.3882 -31.3840 -31.3840 -12.7114 -12.7109 -12.6946 -12.6931 -12.6816 -12.6806 -12.3597 -12.3583 -12.3358 -12.3314 -12.3263 -12.3236 -12.3092 -12.3087 -12.2963 -12.2961 -12.2745 -12.2739 -1.3474 -1.3472 -1.0525 -1.0517 -0.8878 -0.8868 3.5838 3.6090 4.0834 4.0835 4.1383 4.1440 4.2243 4.3258 4.3362 4.3826 4.4399 4.4552 4.6135 4.6265 4.7127 4.7542 4.7721 4.7981 4.8351 4.8766 4.9184 5.0337 5.0665 5.0700 5.0920 5.1162 5.1729 5.1789 5.2493 5.2690 5.5225 5.5314 6.2622 6.3134 6.8193 6.8687 7.1657 7.1675 7.5401 7.5755 7.8169 7.8423 7.9841 8.0364 8.3057 8.3392 8.4863 8.5063 10.8635 10.9001 11.1965 11.2289 11.5089 11.5295 11.5455 11.5536 11.9324 11.9760 12.2536 12.2598 12.2853 12.2889 12.9531 12.9842 k = 0.5000 0.2887 0.4104 ( 6830 PWs) bands (ev): -31.3926 -31.3926 -31.3883 -31.3883 -31.3840 -31.3840 -12.7112 -12.7108 -12.6942 -12.6927 -12.6810 -12.6801 -12.3597 -12.3583 -12.3354 -12.3312 -12.3257 -12.3231 -12.3081 -12.3077 -12.2956 -12.2954 -12.2743 -12.2737 -1.3622 -1.3620 -1.0661 -1.0654 -0.8924 -0.8914 3.5973 3.6241 4.0754 4.0765 4.1350 4.1407 4.2252 4.3088 4.3200 4.3857 4.4349 4.4515 4.6072 4.6081 4.6968 4.7578 4.7690 4.7999 4.8276 4.8770 4.9170 5.0226 5.0606 5.0615 5.0872 5.1141 5.1757 5.1786 5.2493 5.2678 5.5043 5.5144 6.3111 6.3599 6.8616 6.9109 7.2110 7.2112 7.5540 7.5896 7.8600 7.8864 7.9910 8.0448 8.3364 8.3683 8.5015 8.5206 10.8669 10.9046 11.1987 11.2317 11.4953 11.5262 11.5681 11.5812 11.9174 11.9641 12.2727 12.2792 12.3000 12.3042 12.9558 12.9867 k = 0.5000 0.2887 0.3876 ( 6826 PWs) bands (ev): -31.3927 -31.3927 -31.3884 -31.3884 -31.3841 -31.3841 -12.7111 -12.7106 -12.6938 -12.6923 -12.6805 -12.6795 -12.3597 -12.3584 -12.3350 -12.3311 -12.3250 -12.3225 -12.3069 -12.3065 -12.2949 -12.2946 -12.2740 -12.2734 -1.3769 -1.3766 -1.0795 -1.0788 -0.8970 -0.8961 3.6111 3.6396 4.0672 4.0692 4.1312 4.1369 4.2259 4.2917 4.3014 4.3898 4.4295 4.4481 4.5865 4.6010 4.6838 4.7605 4.7661 4.8032 4.8193 4.8776 4.9171 5.0072 5.0514 5.0572 5.0875 5.1127 5.1786 5.1786 5.2497 5.2668 5.4892 5.4999 6.3545 6.4004 6.9003 6.9492 7.2599 7.2617 7.5727 7.6093 7.9070 7.9351 7.9987 8.0537 8.3630 8.3932 8.5159 8.5339 10.8640 10.9018 11.2028 11.2356 11.4815 11.5147 11.5862 11.5974 11.9155 11.9632 12.2944 12.2995 12.3205 12.3266 12.9535 12.9832 k = 0.5000 0.2887 0.3648 ( 6828 PWs) bands (ev): -31.3927 -31.3927 -31.3884 -31.3884 -31.3842 -31.3842 -12.7109 -12.7104 -12.6934 -12.6920 -12.6799 -12.6790 -12.3598 -12.3585 -12.3346 -12.3310 -12.3243 -12.3220 -12.3057 -12.3054 -12.2942 -12.2939 -12.2737 -12.2731 -1.3911 -1.3909 -1.0928 -1.0921 -0.9016 -0.9007 3.6252 3.6554 4.0590 4.0615 4.1271 4.1326 4.2261 4.2749 4.2820 4.3924 4.4236 4.4458 4.5628 4.5952 4.6737 4.7622 4.7637 4.8069 4.8109 4.8784 4.9180 4.9891 5.0448 5.0537 5.0894 5.1117 5.1789 5.1813 5.2502 5.2658 5.4766 5.4877 6.3918 6.4345 6.9349 6.9829 7.3139 7.3178 7.5962 7.6348 7.9558 7.9879 8.0093 8.0636 8.3856 8.4143 8.5294 8.5461 10.8537 10.8901 11.2083 11.2396 11.4738 11.5114 11.5811 11.5941 11.9297 11.9755 12.3126 12.3160 12.3516 12.3597 12.9473 12.9747 k = 0.5000 0.2887 0.3420 ( 6818 PWs) bands (ev): -31.3928 -31.3928 -31.3885 -31.3885 -31.3842 -31.3842 -12.7107 -12.7103 -12.6931 -12.6916 -12.6794 -12.6785 -12.3598 -12.3585 -12.3343 -12.3309 -12.3236 -12.3215 -12.3045 -12.3043 -12.2934 -12.2931 -12.2734 -12.2728 -1.4050 -1.4048 -1.1057 -1.1050 -0.9061 -0.9053 3.6395 3.6715 4.0508 4.0536 4.1226 4.1279 4.2256 4.2588 4.2625 4.3919 4.4171 4.4454 4.5387 4.5898 4.6659 4.7617 4.7624 4.8033 4.8107 4.8794 4.9186 4.9710 5.0402 5.0510 5.0920 5.1113 5.1793 5.1839 5.2510 5.2651 5.4663 5.4774 6.4230 6.4624 6.9650 7.0115 7.3729 7.3790 7.6244 7.6659 7.9949 8.0345 8.0447 8.0747 8.4045 8.4319 8.5419 8.5573 10.8360 10.8699 11.2138 11.2424 11.4721 11.5162 11.5562 11.5742 11.9568 11.9990 12.3276 12.3297 12.3911 12.4005 12.9388 12.9628 k = 0.5000 0.2887 0.3192 ( 6820 PWs) bands (ev): -31.3929 -31.3929 -31.3886 -31.3886 -31.3843 -31.3843 -12.7106 -12.7101 -12.6927 -12.6913 -12.6789 -12.6780 -12.3598 -12.3586 -12.3340 -12.3309 -12.3229 -12.3211 -12.3033 -12.3032 -12.2926 -12.2924 -12.2730 -12.2725 -1.4185 -1.4183 -1.1182 -1.1175 -0.9106 -0.9097 3.6541 3.6877 4.0428 4.0453 4.1178 4.1229 4.2227 4.2430 4.2452 4.3882 4.4098 4.4464 4.5160 4.5850 4.6598 4.7602 4.7606 4.7975 4.8142 4.8808 4.9167 4.9556 5.0369 5.0490 5.0948 5.1111 5.1798 5.1864 5.2519 5.2644 5.4579 5.4687 6.4484 6.4844 6.9905 7.0351 7.4362 7.4444 7.6565 7.7018 8.0123 8.0863 8.0871 8.1056 8.4201 8.4464 8.5534 8.5674 10.8115 10.8421 11.2175 11.2430 11.4717 11.5175 11.5280 11.5459 11.9914 12.0295 12.3413 12.3422 12.4336 12.4447 12.9306 12.9499 k = 0.5000 0.2887 0.2964 ( 6820 PWs) bands (ev): -31.3929 -31.3929 -31.3887 -31.3886 -31.3844 -31.3844 -12.7104 -12.7100 -12.6924 -12.6911 -12.6784 -12.6776 -12.3599 -12.3587 -12.3337 -12.3309 -12.3223 -12.3206 -12.3022 -12.3021 -12.2919 -12.2916 -12.2727 -12.2721 -1.4313 -1.4311 -1.1302 -1.1296 -0.9149 -0.9141 3.6688 3.7041 4.0349 4.0368 4.1126 4.1177 4.2139 4.2237 4.2377 4.3820 4.4019 4.4457 4.4977 4.5808 4.6550 4.7563 4.7590 4.7942 4.8173 4.8826 4.9092 4.9466 5.0347 5.0477 5.0977 5.1112 5.1805 5.1887 5.2529 5.2638 5.4511 5.4615 6.4685 6.5012 7.0116 7.0539 7.5028 7.5128 7.6916 7.7413 8.0252 8.1020 8.1479 8.1695 8.4329 8.4586 8.5640 8.5764 10.7812 10.8079 11.2188 11.2409 11.4574 11.4703 11.5266 11.5438 12.0294 12.0636 12.3538 12.3546 12.4745 12.4877 12.9263 12.9334 k = 0.5000 0.2887 0.2736 ( 6820 PWs) bands (ev): -31.3930 -31.3930 -31.3887 -31.3887 -31.3844 -31.3844 -12.7103 -12.7099 -12.6920 -12.6908 -12.6780 -12.6772 -12.3599 -12.3588 -12.3335 -12.3309 -12.3217 -12.3202 -12.3011 -12.3011 -12.2911 -12.2909 -12.2723 -12.2718 -1.4435 -1.4434 -1.1416 -1.1411 -0.9190 -0.9183 3.6836 3.7204 4.0274 4.0281 4.1072 4.1123 4.2001 4.2045 4.2355 4.3742 4.3935 4.4383 4.4886 4.5773 4.6512 4.7500 4.7582 4.7929 4.8198 4.8848 4.8963 4.9439 5.0333 5.0470 5.1006 5.1116 5.1813 5.1908 5.2540 5.2634 5.4455 5.4554 6.4841 6.5135 7.0288 7.0684 7.5713 7.5830 7.7282 7.7821 8.0397 8.1194 8.2134 8.2364 8.4437 8.4694 8.5737 8.5845 10.7458 10.7687 11.2176 11.2365 11.4179 11.4186 11.5266 11.5598 12.0687 12.0996 12.3652 12.3679 12.5083 12.5243 12.8508 12.8778 k = 0.5000 0.2887 0.2508 ( 6832 PWs) bands (ev): -31.3931 -31.3931 -31.3888 -31.3888 -31.3845 -31.3845 -12.7102 -12.7098 -12.6917 -12.6906 -12.6776 -12.6768 -12.3600 -12.3590 -12.3333 -12.3310 -12.3211 -12.3198 -12.3001 -12.3001 -12.2904 -12.2902 -12.2720 -12.2715 -1.4550 -1.4549 -1.1524 -1.1519 -0.9230 -0.9222 3.6983 3.7367 4.0193 4.0203 4.1015 4.1070 4.1848 4.1856 4.2352 4.3657 4.3849 4.4236 4.4888 4.5743 4.6481 4.7424 4.7579 4.7931 4.8217 4.8816 4.8874 4.9439 5.0327 5.0467 5.1033 5.1122 5.1822 5.1926 5.2551 5.2630 5.4411 5.4504 6.4958 6.5221 7.0426 7.0792 7.6401 7.6535 7.7650 7.8216 8.0582 8.1400 8.2799 8.3045 8.4541 8.4807 8.5824 8.5917 10.7062 10.7252 11.2144 11.2302 11.3626 11.3679 11.5317 11.5717 12.1085 12.1365 12.3769 12.3816 12.5307 12.5493 12.7722 12.7997 k = 0.5000 0.2887 0.2280 ( 6824 PWs) bands (ev): -31.3931 -31.3931 -31.3888 -31.3888 -31.3845 -31.3845 -12.7100 -12.7097 -12.6914 -12.6903 -12.6771 -12.6764 -12.3600 -12.3591 -12.3331 -12.3310 -12.3206 -12.3195 -12.2991 -12.2991 -12.2897 -12.2895 -12.2716 -12.2712 -1.4658 -1.4656 -1.1625 -1.1620 -0.9267 -0.9260 3.7131 3.7528 4.0105 4.0138 4.0955 4.1019 4.1670 4.1694 4.2357 4.3569 4.3762 4.4063 4.4937 4.5719 4.6458 4.7342 4.7579 4.7940 4.8229 4.8672 4.8905 4.9447 5.0327 5.0469 5.1060 5.1129 5.1832 5.1941 5.2562 5.2628 5.4375 5.4461 6.5044 6.5278 7.0536 7.0871 7.7074 7.7228 7.8005 7.8570 8.0828 8.1642 8.3428 8.3691 8.4690 8.4967 8.5902 8.5981 10.6630 10.6781 11.2098 11.2221 11.3064 11.3129 11.5330 11.5759 12.1485 12.1740 12.3897 12.3960 12.5401 12.5602 12.7043 12.7318 k = 0.5000 0.2887 0.2052 ( 6840 PWs) bands (ev): -31.3932 -31.3932 -31.3889 -31.3889 -31.3846 -31.3846 -12.7099 -12.7096 -12.6912 -12.6902 -12.6768 -12.6762 -12.3600 -12.3592 -12.3330 -12.3311 -12.3202 -12.3192 -12.2983 -12.2982 -12.2891 -12.2889 -12.2713 -12.2709 -1.4756 -1.4755 -1.1719 -1.1714 -0.9301 -0.9295 3.7277 3.7685 4.0019 4.0081 4.0890 4.0969 4.1487 4.1544 4.2366 4.3481 4.3678 4.3893 4.5003 4.5698 4.6441 4.7257 4.7583 4.7953 4.8235 4.8537 4.8940 4.9453 5.0333 5.0472 5.1084 5.1137 5.1842 5.1954 5.2573 5.2627 5.4347 5.4426 6.5106 6.5312 7.0623 7.0925 7.7708 7.7896 7.8349 7.8859 8.1145 8.1920 8.3922 8.4140 8.5043 8.5267 8.5971 8.6044 10.6165 10.6279 11.2040 11.2098 11.2537 11.2569 11.5269 11.5701 12.1885 12.2118 12.4032 12.4104 12.5384 12.5587 12.6494 12.6766 k = 0.5000 0.2887 0.1824 ( 6830 PWs) bands (ev): -31.3932 -31.3932 -31.3889 -31.3889 -31.3846 -31.3846 -12.7098 -12.7095 -12.6909 -12.6900 -12.6764 -12.6759 -12.3601 -12.3593 -12.3328 -12.3312 -12.3197 -12.3189 -12.2974 -12.2974 -12.2885 -12.2883 -12.2710 -12.2706 -1.4846 -1.4845 -1.1804 -1.1799 -0.9332 -0.9327 3.7421 3.7836 3.9938 4.0032 4.0819 4.0920 4.1311 4.1403 4.2379 4.3393 4.3598 4.3737 4.5075 4.5681 4.6430 4.7171 4.7591 4.7969 4.8236 4.8415 4.8978 4.9456 5.0345 5.0478 5.1106 5.1145 5.1854 5.1964 5.2583 5.2627 5.4325 5.4397 6.5148 6.5328 7.0692 7.0961 7.8247 7.8524 7.8714 7.9081 8.1525 8.2229 8.4192 8.4307 8.5675 8.5756 8.6037 8.6137 10.5672 10.5750 11.1782 11.1904 11.2087 11.2213 11.5127 11.5538 12.2281 12.2493 12.4156 12.4225 12.5296 12.5495 12.6101 12.6369 k = 0.5000 0.2887 0.1596 ( 6830 PWs) bands (ev): -31.3933 -31.3933 -31.3890 -31.3890 -31.3847 -31.3847 -12.7097 -12.7094 -12.6907 -12.6898 -12.6761 -12.6756 -12.3601 -12.3594 -12.3327 -12.3313 -12.3193 -12.3186 -12.2967 -12.2967 -12.2879 -12.2877 -12.2707 -12.2703 -1.4927 -1.4926 -1.1880 -1.1876 -0.9361 -0.9356 3.7562 3.7978 3.9864 3.9994 4.0740 4.0871 4.1145 4.1273 4.2396 4.3304 4.3525 4.3602 4.5147 4.5665 4.6425 4.7086 4.7603 4.7984 4.8232 4.8306 4.9019 4.9453 5.0359 5.0483 5.1125 5.1153 5.1866 5.1971 5.2593 5.2627 5.4309 5.4372 6.5177 6.5332 7.0747 7.0983 7.8616 7.9065 7.9164 7.9282 8.1947 8.2559 8.4297 8.4352 8.6048 8.6073 8.6445 8.6579 10.5155 10.5202 11.1287 11.1422 11.1968 11.2091 11.4914 11.5285 12.2666 12.2857 12.4223 12.4279 12.5185 12.5372 12.5897 12.6157 k = 0.5000 0.2887 0.1368 ( 6842 PWs) bands (ev): -31.3933 -31.3933 -31.3890 -31.3890 -31.3847 -31.3847 -12.7096 -12.7094 -12.6904 -12.6897 -12.6759 -12.6754 -12.3601 -12.3595 -12.3326 -12.3314 -12.3190 -12.3184 -12.2961 -12.2960 -12.2874 -12.2873 -12.2704 -12.2701 -1.4997 -1.4997 -1.1947 -1.1943 -0.9386 -0.9382 3.7700 3.8107 3.9803 3.9966 4.0649 4.0810 4.1003 4.1160 4.2418 4.3211 4.3458 4.3493 4.5217 4.5650 4.6425 4.7002 4.7618 4.7998 4.8213 4.8225 4.9061 4.9445 5.0377 5.0488 5.1142 5.1161 5.1878 5.1974 5.2602 5.2628 5.4297 5.4352 6.5196 6.5327 7.0791 7.0994 7.8852 7.9289 7.9654 7.9696 8.2381 8.2893 8.4324 8.4352 8.6109 8.6122 8.7219 8.7304 10.4624 10.4642 11.0792 11.0912 11.1912 11.2011 11.4654 11.4973 12.3027 12.3194 12.4196 12.4238 12.5090 12.5250 12.5904 12.6137 k = 0.5000 0.2887 0.1140 ( 6848 PWs) bands (ev): -31.3934 -31.3934 -31.3891 -31.3891 -31.3847 -31.3847 -12.7095 -12.7094 -12.6903 -12.6897 -12.6756 -12.6752 -12.3601 -12.3596 -12.3325 -12.3315 -12.3187 -12.3183 -12.2955 -12.2955 -12.2870 -12.2869 -12.2702 -12.2699 -1.5058 -1.5057 -1.2004 -1.2001 -0.9407 -0.9404 3.7831 3.8218 3.9758 3.9953 4.0545 4.0715 4.0910 4.1067 4.2446 4.3114 4.3400 4.3408 4.5283 4.5636 4.6433 4.6921 4.7637 4.8004 4.8139 4.8215 4.9103 4.9432 5.0395 5.0492 5.1156 5.1168 5.1891 5.1976 5.2609 5.2629 5.4288 5.4334 6.5208 6.5317 7.0827 7.0996 7.9021 7.9371 8.0113 8.0157 8.2801 8.3213 8.4314 8.4330 8.6144 8.6159 8.7981 8.8049 10.4087 10.4091 11.0336 11.0442 11.1867 11.1946 11.4377 11.4638 12.3344 12.3477 12.4095 12.4128 12.5049 12.5165 12.6065 12.6259 k = 0.5000 0.2887 0.0912 ( 6846 PWs) bands (ev): -31.3934 -31.3934 -31.3891 -31.3891 -31.3848 -31.3848 -12.7095 -12.7093 -12.6901 -12.6896 -12.6754 -12.6751 -12.3601 -12.3597 -12.3324 -12.3316 -12.3185 -12.3181 -12.2950 -12.2950 -12.2866 -12.2865 -12.2699 -12.2697 -1.5108 -1.5107 -1.2051 -1.2049 -0.9425 -0.9422 3.7956 3.8305 3.9736 3.9953 4.0431 4.0591 4.0864 4.0992 4.2479 4.3017 4.3347 4.3352 4.5345 4.5620 4.6447 4.6843 4.7660 4.7986 4.8099 4.8202 4.9146 4.9414 5.0414 5.0494 5.1167 5.1175 5.1904 5.1975 5.2616 5.2630 5.4283 5.4320 6.5217 6.5303 7.0857 7.0992 7.9149 7.9417 8.0515 8.0557 8.3182 8.3501 8.4286 8.4297 8.6169 8.6188 8.8695 8.8753 10.3557 10.3576 10.9941 11.0030 11.1830 11.1891 11.4111 11.4315 12.3586 12.3675 12.3971 12.3998 12.5087 12.5154 12.6297 12.6449 k = 0.5000 0.2887 0.0684 ( 6850 PWs) bands (ev): -31.3934 -31.3934 -31.3891 -31.3891 -31.3848 -31.3848 -12.7094 -12.7093 -12.6899 -12.6896 -12.6752 -12.6750 -12.3601 -12.3598 -12.3323 -12.3317 -12.3183 -12.3180 -12.2947 -12.2946 -12.2863 -12.2863 -12.2697 -12.2696 -1.5146 -1.5146 -1.2088 -1.2086 -0.9439 -0.9436 3.8071 3.8362 3.9743 3.9968 4.0312 4.0462 4.0841 4.0935 4.2519 4.2923 4.3304 4.3313 4.5400 4.5602 4.6469 4.6769 4.7687 4.7940 4.8096 4.8188 4.9187 4.9391 5.0432 5.0493 5.1175 5.1180 5.1916 5.1971 5.2621 5.2630 5.4280 5.4309 6.5224 6.5289 7.0883 7.0984 7.9247 7.9441 8.0845 8.0881 8.3506 8.3737 8.4251 8.4259 8.6188 8.6208 8.9323 8.9371 10.3085 10.3111 10.9620 10.9689 11.1802 11.1847 11.3884 11.4032 12.3730 12.3764 12.3862 12.3893 12.5205 12.5228 12.6535 12.6647 k = 0.5000 0.2887 0.0456 ( 6860 PWs) bands (ev): -31.3934 -31.3934 -31.3891 -31.3891 -31.3848 -31.3848 -12.7094 -12.7093 -12.6898 -12.6896 -12.6751 -12.6749 -12.3601 -12.3599 -12.3322 -12.3318 -12.3181 -12.3180 -12.2944 -12.2944 -12.2861 -12.2861 -12.2696 -12.2695 -1.5174 -1.5174 -1.2114 -1.2113 -0.9448 -0.9447 3.8174 3.8384 3.9779 3.9993 4.0197 4.0344 4.0832 4.0893 4.2566 4.2836 4.3276 4.3284 4.5448 4.5581 4.6500 4.6701 4.7718 4.7888 4.8108 4.8173 4.9227 4.9364 5.0449 5.0490 5.1181 5.1184 5.1928 5.1966 5.2625 5.2631 5.4280 5.4299 6.5231 6.5274 7.0905 7.0972 7.9322 7.9447 8.1094 8.1120 8.3757 8.3907 8.4219 8.4225 8.6203 8.6219 8.9821 8.9857 10.2706 10.2730 10.9384 10.9432 11.1783 11.1812 11.3714 11.3810 12.3741 12.3743 12.3827 12.3860 12.5355 12.5356 12.6737 12.6810 k = 0.5000 0.2887 0.0228 ( 6856 PWs) bands (ev): -31.3934 -31.3934 -31.3891 -31.3891 -31.3848 -31.3848 -12.7094 -12.7093 -12.6897 -12.6896 -12.6750 -12.6749 -12.3601 -12.3600 -12.3321 -12.3319 -12.3180 -12.3180 -12.2943 -12.2943 -12.2860 -12.2859 -12.2695 -12.2695 -1.5191 -1.5191 -1.2130 -1.2130 -0.9454 -0.9454 3.8262 3.8372 3.9843 3.9999 4.0125 4.0241 4.0832 4.0862 4.2621 4.2756 4.3261 4.3266 4.5490 4.5556 4.6538 4.6640 4.7753 4.7838 4.8123 4.8156 4.9265 4.9335 5.0463 5.0484 5.1185 5.1186 5.1940 5.1959 5.2628 5.2631 5.4282 5.4291 6.5240 6.5261 7.0925 7.0959 7.9377 7.9439 8.1251 8.1265 8.3924 8.3997 8.4198 8.4203 8.6215 8.6224 9.0148 9.0167 10.2462 10.2476 10.9244 10.9269 11.1774 11.1789 11.3616 11.3663 12.3694 12.3696 12.3843 12.3856 12.5471 12.5478 12.6876 12.6913 k = 0.5000 0.2887-0.0000 ( 6860 PWs) bands (ev): -31.3934 -31.3934 -31.3891 -31.3891 -31.3848 -31.3848 -12.7093 -12.7093 -12.6897 -12.6897 -12.6749 -12.6749 -12.3600 -12.3600 -12.3320 -12.3320 -12.3180 -12.3180 -12.2942 -12.2942 -12.2859 -12.2859 -12.2695 -12.2695 -1.5197 -1.5197 -1.2135 -1.2135 -0.9456 -0.9456 3.8329 3.8329 3.9927 3.9927 4.0159 4.0159 4.0842 4.0842 4.2684 4.2684 4.3258 4.3258 4.5526 4.5526 4.6585 4.6585 4.7793 4.7793 4.8140 4.8140 4.9301 4.9301 5.0475 5.0475 5.1186 5.1186 5.1950 5.1950 5.2630 5.2630 5.4286 5.4286 6.5249 6.5249 7.0943 7.0943 7.9415 7.9415 8.1309 8.1309 8.4003 8.4003 8.4194 8.4194 8.6222 8.6222 9.0268 9.0268 10.2381 10.2381 10.9205 10.9205 11.1776 11.1776 11.3598 11.3598 12.3677 12.3677 12.3850 12.3850 12.5521 12.5521 12.6936 12.6936 k = 0.3333 0.5774-0.0000 ( 6831 PWs) bands (ev): -31.3912 -31.3912 -31.3912 -31.3912 -31.3849 -31.3849 -12.7068 -12.7068 -12.6832 -12.6832 -12.6830 -12.6830 -12.3578 -12.3578 -12.3281 -12.3281 -12.3232 -12.3232 -12.2899 -12.2899 -12.2866 -12.2866 -12.2749 -12.2749 -1.4868 -1.4868 -1.0974 -1.0974 -1.0972 -1.0972 3.8401 3.8401 3.8867 3.8867 4.0368 4.0368 4.0589 4.0589 4.3080 4.3080 4.3494 4.3494 4.3630 4.3630 4.7311 4.7311 4.7560 4.7560 4.8755 4.8755 4.9360 4.9360 5.0352 5.0352 5.1170 5.1170 5.2039 5.2039 5.2520 5.2520 6.1259 6.1259 6.2457 6.2457 6.3090 6.3090 8.2908 8.2908 8.2921 8.2921 8.5383 8.5383 8.5698 8.5698 8.9105 8.9105 8.9476 8.9476 10.0345 10.0345 10.7033 10.7033 10.7363 10.7363 11.8246 11.8246 11.8277 11.8277 12.3088 12.3088 12.9412 12.9412 13.1518 13.1518 k = 0.3333 0.5774 0.0228 ( 6828 PWs) bands (ev): -31.3912 -31.3912 -31.3912 -31.3912 -31.3849 -31.3849 -12.7068 -12.7068 -12.6833 -12.6833 -12.6831 -12.6830 -12.3578 -12.3577 -12.3281 -12.3281 -12.3231 -12.3231 -12.2899 -12.2899 -12.2866 -12.2866 -12.2749 -12.2749 -1.4863 -1.4863 -1.0970 -1.0970 -1.0968 -1.0967 3.8353 3.8353 3.8913 3.8913 4.0327 4.0420 4.0596 4.0596 4.3062 4.3104 4.3494 4.3494 4.3636 4.3636 4.7207 4.7416 4.7561 4.7561 4.8750 4.8758 4.9358 4.9358 5.0350 5.0350 5.1170 5.1170 5.2039 5.2039 5.2513 5.2523 6.1265 6.1265 6.2460 6.2460 6.3075 6.3108 8.2853 8.2853 8.2855 8.2881 8.5391 8.5391 8.5688 8.5719 8.8957 8.8957 8.9474 8.9474 10.0469 10.0469 10.7025 10.7075 10.7380 10.7380 11.8290 11.8290 11.8308 11.8333 12.3132 12.3132 12.9306 12.9306 13.1469 13.1476 k = 0.3333 0.5774 0.0456 ( 6828 PWs) bands (ev): -31.3912 -31.3912 -31.3912 -31.3912 -31.3848 -31.3848 -12.7068 -12.7068 -12.6833 -12.6833 -12.6832 -12.6829 -12.3579 -12.3576 -12.3282 -12.3282 -12.3232 -12.3232 -12.2901 -12.2901 -12.2868 -12.2868 -12.2750 -12.2750 -1.4847 -1.4847 -1.0958 -1.0958 -1.0956 -1.0955 3.8244 3.8244 3.9020 3.9020 4.0296 4.0482 4.0618 4.0618 4.3049 4.3135 4.3493 4.3493 4.3653 4.3653 4.7106 4.7524 4.7563 4.7563 4.8744 4.8760 4.9351 4.9351 5.0344 5.0344 5.1168 5.1168 5.2039 5.2039 5.2502 5.2521 6.1282 6.1282 6.2468 6.2468 6.3064 6.3130 8.2691 8.2693 8.2693 8.2738 8.5411 8.5411 8.5691 8.5747 8.8539 8.8539 8.9465 8.9465 10.0821 10.0821 10.7052 10.7150 10.7432 10.7432 11.8421 11.8421 11.8426 11.8476 12.3265 12.3265 12.9030 12.9030 13.1332 13.1345 k = 0.3333 0.5774 0.0684 ( 6813 PWs) bands (ev): -31.3912 -31.3912 -31.3912 -31.3912 -31.3848 -31.3848 -12.7069 -12.7069 -12.6833 -12.6833 -12.6833 -12.6829 -12.3579 -12.3574 -12.3282 -12.3282 -12.3231 -12.3231 -12.2903 -12.2903 -12.2869 -12.2869 -12.2751 -12.2751 -1.4821 -1.4821 -1.0938 -1.0938 -1.0937 -1.0934 3.8109 3.8109 3.9150 3.9150 4.0277 4.0554 4.0654 4.0654 4.3041 4.3174 4.3492 4.3492 4.3681 4.3681 4.7006 4.7567 4.7567 4.7633 4.8738 4.8762 4.9340 4.9340 5.0334 5.0334 5.1166 5.1166 5.2040 5.2040 5.2487 5.2516 6.1310 6.1310 6.2482 6.2482 6.3056 6.3155 8.2439 8.2439 8.2440 8.2499 8.5433 8.5433 8.5703 8.5774 8.7902 8.7902 8.9447 8.9447 10.1350 10.1350 10.7111 10.7258 10.7517 10.7517 11.8629 11.8636 11.8636 11.8703 12.3484 12.3484 12.8661 12.8661 13.1122 13.1134 k = 0.3333 0.5774 0.0912 ( 6825 PWs) bands (ev): -31.3912 -31.3912 -31.3912 -31.3912 -31.3848 -31.3848 -12.7069 -12.7069 -12.6835 -12.6835 -12.6835 -12.6830 -12.3579 -12.3573 -12.3284 -12.3284 -12.3232 -12.3232 -12.2907 -12.2907 -12.2872 -12.2872 -12.2753 -12.2753 -1.4785 -1.4785 -1.0910 -1.0910 -1.0910 -1.0906 3.7964 3.7964 3.9288 3.9288 4.0268 4.0634 4.0703 4.0703 4.3037 4.3221 4.3491 4.3491 4.3719 4.3719 4.6908 4.7572 4.7572 4.7745 4.8731 4.8761 4.9324 4.9324 5.0321 5.0321 5.1162 5.1162 5.2040 5.2040 5.2468 5.2506 6.1349 6.1349 6.2502 6.2502 6.3052 6.3184 8.2104 8.2104 8.2112 8.2174 8.5447 8.5447 8.5716 8.5791 8.7106 8.7106 8.9422 8.9422 10.1999 10.1999 10.7201 10.7394 10.7632 10.7632 11.8910 11.8931 11.8931 11.9010 12.3786 12.3786 12.8251 12.8251 13.0847 13.0852 k = 0.3333 0.5774 0.1140 ( 6825 PWs) bands (ev): -31.3912 -31.3912 -31.3912 -31.3912 -31.3848 -31.3848 -12.7070 -12.7070 -12.6837 -12.6836 -12.6836 -12.6830 -12.3579 -12.3572 -12.3286 -12.3286 -12.3232 -12.3232 -12.2912 -12.2911 -12.2875 -12.2875 -12.2756 -12.2756 -1.4738 -1.4738 -1.0875 -1.0875 -1.0875 -1.0870 3.7814 3.7814 3.9430 3.9430 4.0270 4.0720 4.0766 4.0766 4.3037 4.3278 4.3491 4.3491 4.3766 4.3766 4.6813 4.7580 4.7580 4.7858 4.8725 4.8759 4.9304 4.9304 5.0303 5.0303 5.1158 5.1158 5.2041 5.2041 5.2445 5.2492 6.1396 6.1396 6.2528 6.2528 6.3052 6.3216 8.1700 8.1700 8.1719 8.1777 8.5427 8.5427 8.5723 8.5794 8.6220 8.6220 8.9390 8.9390 10.2717 10.2717 10.7319 10.7557 10.7775 10.7775 11.9266 11.9300 11.9300 11.9392 12.4166 12.4166 12.7832 12.7832 13.0524 13.0524 k = 0.3333 0.5774 0.1368 ( 6825 PWs) bands (ev): -31.3911 -31.3911 -31.3911 -31.3911 -31.3848 -31.3848 -12.7071 -12.7071 -12.6840 -12.6838 -12.6838 -12.6831 -12.3579 -12.3571 -12.3289 -12.3289 -12.3232 -12.3232 -12.2917 -12.2917 -12.2879 -12.2879 -12.2759 -12.2759 -1.4682 -1.4682 -1.0832 -1.0832 -1.0832 -1.0827 3.7661 3.7661 3.9572 3.9572 4.0282 4.0812 4.0842 4.0842 4.3040 4.3346 4.3492 4.3492 4.3824 4.3824 4.6721 4.7590 4.7590 4.7972 4.8721 4.8755 4.9280 4.9280 5.0283 5.0283 5.1153 5.1153 5.2042 5.2042 5.2418 5.2474 6.1451 6.1451 6.2559 6.2559 6.3056 6.3251 8.1237 8.1237 8.1272 8.1319 8.5066 8.5066 8.5584 8.5584 8.5719 8.5777 8.9351 8.9351 10.3466 10.3466 10.7463 10.7744 10.7943 10.7943 11.9686 11.9735 11.9735 11.9839 12.4615 12.4615 12.7421 12.7421 13.0166 13.0167 k = 0.3333 0.5774 0.1596 ( 6825 PWs) bands (ev): -31.3911 -31.3911 -31.3911 -31.3911 -31.3847 -31.3847 -12.7071 -12.7071 -12.6842 -12.6840 -12.6840 -12.6832 -12.3579 -12.3569 -12.3291 -12.3291 -12.3233 -12.3233 -12.2923 -12.2923 -12.2883 -12.2883 -12.2762 -12.2762 -1.4616 -1.4616 -1.0783 -1.0782 -1.0782 -1.0776 3.7507 3.7507 3.9712 3.9712 4.0303 4.0907 4.0929 4.0929 4.3046 4.3425 4.3494 4.3494 4.3891 4.3891 4.6634 4.7603 4.7603 4.8086 4.8722 4.8749 4.9252 4.9252 5.0260 5.0260 5.1147 5.1147 5.2043 5.2043 5.2387 5.2453 6.1512 6.1512 6.2596 6.2596 6.3063 6.3290 8.0727 8.0727 8.0778 8.0812 8.4102 8.4102 8.5489 8.5489 8.5700 8.5739 8.9306 8.9306 10.4218 10.4218 10.7629 10.7951 10.8133 10.8133 12.0160 12.0225 12.0225 12.0342 12.5120 12.5120 12.7026 12.7026 12.9793 12.9793 k = 0.3333 0.5774 0.1824 ( 6813 PWs) bands (ev): -31.3911 -31.3911 -31.3911 -31.3911 -31.3847 -31.3847 -12.7072 -12.7072 -12.6845 -12.6843 -12.6843 -12.6834 -12.3579 -12.3567 -12.3295 -12.3295 -12.3234 -12.3234 -12.2930 -12.2930 -12.2887 -12.2887 -12.2766 -12.2766 -1.4541 -1.4541 -1.0726 -1.0725 -1.0725 -1.0719 3.7352 3.7352 3.9852 3.9852 4.0332 4.1002 4.1028 4.1028 4.3055 4.3496 4.3496 4.3517 4.3967 4.3967 4.6551 4.7619 4.7619 4.8194 4.8733 4.8743 4.9221 4.9221 5.0235 5.0235 5.1142 5.1142 5.2044 5.2044 5.2354 5.2428 6.1576 6.1576 6.2639 6.2639 6.3075 6.3331 8.0177 8.0177 8.0247 8.0265 8.3057 8.3057 8.5431 8.5431 8.5663 8.5679 8.9254 8.9254 10.4953 10.4953 10.7815 10.8176 10.8341 10.8341 12.0676 12.0755 12.0755 12.0887 12.5659 12.5659 12.6654 12.6654 12.9417 12.9417 k = 0.3333 0.5774 0.2052 ( 6816 PWs) bands (ev): -31.3910 -31.3910 -31.3910 -31.3910 -31.3846 -31.3846 -12.7074 -12.7074 -12.6848 -12.6845 -12.6845 -12.6836 -12.3578 -12.3565 -12.3298 -12.3298 -12.3235 -12.3235 -12.2938 -12.2938 -12.2892 -12.2892 -12.2770 -12.2770 -1.4457 -1.4457 -1.0663 -1.0662 -1.0662 -1.0656 3.7196 3.7196 3.9988 3.9988 4.0369 4.1097 4.1136 4.1136 4.3067 4.3499 4.3499 4.3621 4.4053 4.4053 4.6476 4.7639 4.7639 4.8288 4.8734 4.8763 4.9187 4.9187 5.0207 5.0207 5.1136 5.1136 5.2045 5.2045 5.2317 5.2400 6.1641 6.1641 6.2687 6.2687 6.3091 6.3376 7.9595 7.9595 7.9685 7.9687 8.1999 8.1999 8.5359 8.5359 8.5596 8.5606 8.9197 8.9197 10.5659 10.5659 10.8019 10.8417 10.8567 10.8567 12.1213 12.1309 12.1309 12.1455 12.6198 12.6198 12.6309 12.6309 12.9046 12.9054 k = 0.3333 0.5774 0.2280 ( 6828 PWs) bands (ev): -31.3910 -31.3910 -31.3910 -31.3910 -31.3846 -31.3846 -12.7075 -12.7075 -12.6851 -12.6848 -12.6848 -12.6838 -12.3578 -12.3564 -12.3302 -12.3302 -12.3236 -12.3236 -12.2947 -12.2947 -12.2898 -12.2898 -12.2775 -12.2775 -1.4365 -1.4365 -1.0594 -1.0593 -1.0593 -1.0586 3.7040 3.7040 4.0121 4.0121 4.0412 4.1187 4.1254 4.1254 4.3080 4.3503 4.3503 4.3737 4.4146 4.4146 4.6410 4.7663 4.7663 4.8356 4.8724 4.8824 4.9150 4.9150 5.0178 5.0178 5.1130 5.1130 5.2047 5.2047 5.2277 5.2369 6.1703 6.1703 6.2740 6.2740 6.3110 6.3423 7.8987 7.8987 7.9084 7.9099 8.0950 8.0950 8.5267 8.5267 8.5489 8.5527 8.9133 8.9133 10.6327 10.6327 10.8238 10.8673 10.8808 10.8808 12.1748 12.1860 12.1860 12.2022 12.5985 12.5985 12.6705 12.6705 12.8692 12.8723 k = 0.3333 0.5774 0.2508 ( 6828 PWs) bands (ev): -31.3909 -31.3909 -31.3909 -31.3909 -31.3845 -31.3845 -12.7076 -12.7076 -12.6854 -12.6852 -12.6852 -12.6840 -12.3578 -12.3562 -12.3307 -12.3307 -12.3238 -12.3238 -12.2956 -12.2956 -12.2903 -12.2903 -12.2779 -12.2779 -1.4266 -1.4266 -1.0520 -1.0518 -1.0518 -1.0511 3.6884 3.6884 4.0251 4.0251 4.0460 4.1273 4.1382 4.1382 4.3095 4.3507 4.3507 4.3862 4.4248 4.4248 4.6357 4.7693 4.7693 4.8393 4.8713 4.8924 4.9112 4.9112 5.0148 5.0148 5.1125 5.1125 5.2048 5.2048 5.2234 5.2336 6.1759 6.1759 6.2798 6.2798 6.3134 6.3473 7.8358 7.8358 7.8466 7.8497 7.9924 7.9924 8.5152 8.5152 8.5358 8.5426 8.9064 8.9064 10.6951 10.6951 10.8471 10.8941 10.9062 10.9062 12.2248 12.2373 12.2373 12.2550 12.5694 12.5694 12.7109 12.7109 12.8385 12.8449 k = 0.3333 0.5774 0.2736 ( 6822 PWs) bands (ev): -31.3908 -31.3908 -31.3908 -31.3908 -31.3845 -31.3845 -12.7078 -12.7078 -12.6858 -12.6855 -12.6855 -12.6843 -12.3577 -12.3560 -12.3312 -12.3312 -12.3239 -12.3239 -12.2966 -12.2965 -12.2909 -12.2909 -12.2784 -12.2784 -1.4159 -1.4159 -1.0440 -1.0438 -1.0438 -1.0430 3.6729 3.6729 4.0375 4.0375 4.0514 4.1352 4.1516 4.1516 4.3111 4.3513 4.3513 4.3993 4.4355 4.4355 4.6322 4.7728 4.7728 4.8406 4.8700 4.9056 4.9072 4.9072 5.0117 5.0117 5.1122 5.1122 5.2050 5.2050 5.2190 5.2300 6.1804 6.1804 6.2861 6.2861 6.3161 6.3526 7.7712 7.7712 7.7837 7.7885 7.8935 7.8935 8.5012 8.5012 8.5202 8.5301 8.8991 8.8991 10.7528 10.7528 10.8715 10.9220 10.9328 10.9328 12.2670 12.2804 12.2804 12.2990 12.5431 12.5431 12.7365 12.7365 12.8158 12.8261 k = 0.3333 0.5774 0.2964 ( 6822 PWs) bands (ev): -31.3908 -31.3908 -31.3908 -31.3908 -31.3844 -31.3844 -12.7080 -12.7080 -12.6861 -12.6859 -12.6859 -12.6846 -12.3576 -12.3558 -12.3317 -12.3317 -12.3242 -12.3242 -12.2976 -12.2975 -12.2914 -12.2914 -12.2789 -12.2789 -1.4045 -1.4045 -1.0356 -1.0353 -1.0353 -1.0346 3.6574 3.6574 4.0495 4.0495 4.0570 4.1423 4.1657 4.1657 4.3129 4.3520 4.3520 4.4123 4.4468 4.4468 4.6311 4.7770 4.7770 4.8401 4.8687 4.9032 4.9032 4.9213 5.0086 5.0086 5.1120 5.1120 5.2053 5.2053 5.2143 5.2263 6.1832 6.1832 6.2926 6.2926 6.3193 6.3581 7.7052 7.7052 7.7205 7.7267 7.7998 7.7998 8.4848 8.4848 8.5021 8.5152 8.8912 8.8912 10.8057 10.8057 10.8970 10.9509 10.9604 10.9604 12.2964 12.3096 12.3096 12.3281 12.5197 12.5197 12.7465 12.7465 12.8039 12.8136 k = 0.3333 0.5774 0.3192 ( 6816 PWs) bands (ev): -31.3907 -31.3907 -31.3907 -31.3907 -31.3843 -31.3843 -12.7081 -12.7081 -12.6865 -12.6862 -12.6862 -12.6849 -12.3576 -12.3557 -12.3322 -12.3322 -12.3244 -12.3244 -12.2987 -12.2985 -12.2920 -12.2920 -12.2793 -12.2793 -1.3926 -1.3926 -1.0267 -1.0265 -1.0265 -1.0257 3.6420 3.6420 4.0609 4.0609 4.0628 4.1487 4.1802 4.1802 4.3148 4.3530 4.3530 4.4244 4.4584 4.4584 4.6332 4.7819 4.7819 4.8388 4.8672 4.8993 4.8993 4.9388 5.0056 5.0056 5.1120 5.1120 5.2055 5.2055 5.2095 5.2224 6.1838 6.1838 6.2994 6.2994 6.3228 6.3639 7.6377 7.6377 7.6573 7.6649 7.7128 7.7128 8.4658 8.4658 8.4815 8.4977 8.8830 8.8830 10.8536 10.8536 10.9234 10.9807 10.9888 10.9888 12.3088 12.3207 12.3207 12.3373 12.4991 12.4991 12.7455 12.7455 12.8018 12.8044 k = 0.3333 0.5774 0.3420 ( 6804 PWs) bands (ev): -31.3906 -31.3906 -31.3906 -31.3906 -31.3843 -31.3843 -12.7083 -12.7083 -12.6869 -12.6866 -12.6866 -12.6852 -12.3575 -12.3555 -12.3328 -12.3328 -12.3247 -12.3247 -12.2997 -12.2995 -12.2925 -12.2925 -12.2798 -12.2798 -1.3802 -1.3802 -1.0175 -1.0173 -1.0173 -1.0165 3.6268 3.6268 4.0688 4.0717 4.0717 4.1542 4.1950 4.1950 4.3167 4.3542 4.3542 4.4348 4.4702 4.4702 4.6394 4.7875 4.7875 4.8368 4.8656 4.8956 4.8956 4.9577 5.0027 5.0027 5.1124 5.1124 5.2047 5.2059 5.2059 5.2185 6.1814 6.1814 6.3063 6.3063 6.3268 6.3698 7.5692 7.5692 7.5948 7.6036 7.6337 7.6337 8.4441 8.4441 8.4582 8.4775 8.8745 8.8745 10.8966 10.8966 10.9504 11.0111 11.0179 11.0179 12.3031 12.3131 12.3131 12.3266 12.4812 12.4812 12.7356 12.7356 12.7914 12.7978 k = 0.3333 0.5774 0.3648 ( 6822 PWs) bands (ev): -31.3906 -31.3906 -31.3906 -31.3906 -31.3842 -31.3842 -12.7085 -12.7085 -12.6873 -12.6871 -12.6871 -12.6856 -12.3575 -12.3553 -12.3334 -12.3334 -12.3251 -12.3251 -12.3009 -12.3006 -12.2931 -12.2931 -12.2803 -12.2803 -1.3674 -1.3674 -1.0081 -1.0078 -1.0078 -1.0070 3.6117 3.6117 4.0748 4.0820 4.0820 4.1589 4.2098 4.2098 4.3187 4.3558 4.3558 4.4425 4.4819 4.4819 4.6502 4.7936 4.7936 4.8345 4.8639 4.8923 4.8923 4.9778 4.9999 4.9999 5.1131 5.1131 5.1997 5.2062 5.2062 5.2145 6.1752 6.1752 6.3132 6.3132 6.3310 6.3759 7.5012 7.5012 7.5334 7.5433 7.5623 7.5623 8.4197 8.4197 8.4324 8.4547 8.8656 8.8656 10.9345 10.9345 10.9778 11.0419 11.0473 11.0473 12.2818 12.2900 12.2900 12.2999 12.4661 12.4661 12.7177 12.7177 12.7676 12.7775 k = 0.3333 0.5774 0.3876 ( 6822 PWs) bands (ev): -31.3905 -31.3905 -31.3905 -31.3905 -31.3841 -31.3841 -12.7087 -12.7087 -12.6877 -12.6875 -12.6875 -12.6860 -12.3574 -12.3552 -12.3341 -12.3341 -12.3255 -12.3255 -12.3020 -12.3017 -12.2936 -12.2936 -12.2807 -12.2807 -1.3542 -1.3542 -0.9984 -0.9981 -0.9981 -0.9972 3.5969 3.5969 4.0807 4.0918 4.0918 4.1628 4.2243 4.2243 4.3208 4.3580 4.3580 4.4473 4.4934 4.4934 4.6659 4.8002 4.8002 4.8319 4.8622 4.8898 4.8898 4.9974 4.9974 4.9990 5.1143 5.1143 5.1947 5.2066 5.2066 5.2105 6.1645 6.1645 6.3201 6.3201 6.3356 6.3821 7.4365 7.4365 7.4735 7.4843 7.4975 7.4975 8.3926 8.3926 8.4040 8.4293 8.8565 8.8565 10.9673 10.9673 11.0054 11.0728 11.0768 11.0768 12.2491 12.2561 12.2561 12.2630 12.4536 12.4536 12.6949 12.6949 12.7353 12.7487 k = 0.3333 0.5774 0.4104 ( 6819 PWs) bands (ev): -31.3904 -31.3904 -31.3904 -31.3904 -31.3841 -31.3841 -12.7089 -12.7089 -12.6881 -12.6880 -12.6880 -12.6863 -12.3573 -12.3551 -12.3347 -12.3347 -12.3259 -12.3259 -12.3031 -12.3027 -12.2940 -12.2940 -12.2811 -12.2811 -1.3407 -1.3407 -0.9885 -0.9883 -0.9883 -0.9874 3.5823 3.5823 4.0865 4.1010 4.1010 4.1660 4.2380 4.2380 4.3229 4.3610 4.3610 4.4493 4.5046 4.5046 4.6860 4.8066 4.8066 4.8291 4.8605 4.8884 4.8884 4.9953 4.9953 5.0210 5.1162 5.1162 5.1899 5.2067 5.2071 5.2071 6.1483 6.1483 6.3270 6.3270 6.3405 6.3883 7.3772 7.3772 7.4155 7.4271 7.4383 7.4383 8.3628 8.3628 8.3730 8.4011 8.8472 8.8472 10.9949 10.9949 11.0329 11.1037 11.1060 11.1060 12.2092 12.2159 12.2159 12.2204 12.4437 12.4437 12.6703 12.6703 12.6998 12.7162 k = 0.3333 0.5774 0.4332 ( 6819 PWs) bands (ev): -31.3903 -31.3903 -31.3903 -31.3903 -31.3840 -31.3840 -12.7092 -12.7092 -12.6885 -12.6884 -12.6884 -12.6867 -12.3573 -12.3549 -12.3354 -12.3354 -12.3264 -12.3264 -12.3042 -12.3038 -12.2945 -12.2945 -12.2815 -12.2815 -1.3271 -1.3271 -0.9786 -0.9783 -0.9783 -0.9775 3.5680 3.5680 4.0921 4.1098 4.1098 4.1686 4.2506 4.2506 4.3251 4.3652 4.3652 4.4488 4.5154 4.5154 4.7099 4.8125 4.8125 4.8262 4.8590 4.8887 4.8887 4.9936 4.9936 5.0436 5.1187 5.1187 5.1853 5.2030 5.2077 5.2077 6.1261 6.1261 6.3337 6.3337 6.3457 6.3945 7.3244 7.3244 7.3599 7.3720 7.3845 7.3845 8.3304 8.3304 8.3396 8.3704 8.8378 8.8378 11.0171 11.0171 11.0600 11.1339 11.1347 11.1347 12.1657 12.1728 12.1728 12.1759 12.4363 12.4363 12.6459 12.6459 12.6644 12.6838 k = 0.3333 0.5774 0.4560 ( 6810 PWs) bands (ev): -31.3903 -31.3903 -31.3903 -31.3903 -31.3839 -31.3839 -12.7094 -12.7094 -12.6889 -12.6889 -12.6889 -12.6872 -12.3572 -12.3548 -12.3360 -12.3360 -12.3269 -12.3269 -12.3052 -12.3048 -12.2948 -12.2948 -12.2819 -12.2819 -1.3135 -1.3135 -0.9687 -0.9684 -0.9684 -0.9675 3.5540 3.5540 4.0975 4.1181 4.1181 4.1705 4.2615 4.2615 4.3272 4.3708 4.3708 4.4466 4.5258 4.5258 4.7363 4.8170 4.8170 4.8232 4.8579 4.8910 4.8910 4.9925 4.9925 5.0665 5.1222 5.1222 5.1813 5.1997 5.2086 5.2086 6.0977 6.0977 6.3403 6.3403 6.3510 6.4006 7.2776 7.2776 7.3069 7.3195 7.3374 7.3374 8.2955 8.2955 8.3039 8.3370 8.8284 8.8284 11.0336 11.0336 11.0862 11.1624 11.1624 11.1631 12.1215 12.1296 12.1296 12.1319 12.4310 12.4310 12.6229 12.6229 12.6305 12.6535 k = 0.3333 0.5774 0.4788 ( 6837 PWs) bands (ev): -31.3902 -31.3902 -31.3902 -31.3902 -31.3839 -31.3839 -12.7096 -12.7096 -12.6894 -12.6894 -12.6894 -12.6876 -12.3572 -12.3548 -12.3368 -12.3368 -12.3275 -12.3275 -12.3063 -12.3058 -12.2952 -12.2952 -12.2823 -12.2823 -1.2998 -1.2998 -0.9588 -0.9586 -0.9586 -0.9577 3.5404 3.5404 4.1025 4.1260 4.1260 4.1717 4.2702 4.2702 4.3294 4.3779 4.3779 4.4429 4.5357 4.5357 4.7640 4.8196 4.8196 4.8202 4.8579 4.8955 4.8955 4.9922 4.9922 5.0889 5.1266 5.1266 5.1782 5.1967 5.2096 5.2096 6.0630 6.0630 6.3467 6.3467 6.3563 6.4064 7.2351 7.2351 7.2569 7.2699 7.2988 7.2988 8.2582 8.2582 8.2660 8.3013 8.8191 8.8191 11.0445 11.0445 11.1110 11.1886 11.1886 11.1907 12.0789 12.0882 12.0882 12.0904 12.4277 12.4277 12.5985 12.6010 12.6010 12.6274 k = 0.3333 0.5774 0.5016 ( 6843 PWs) bands (ev): -31.3901 -31.3901 -31.3901 -31.3901 -31.3838 -31.3838 -12.7098 -12.7098 -12.6898 -12.6898 -12.6898 -12.6880 -12.3571 -12.3547 -12.3375 -12.3375 -12.3281 -12.3281 -12.3074 -12.3068 -12.2956 -12.2956 -12.2826 -12.2826 -1.2864 -1.2864 -0.9491 -0.9489 -0.9489 -0.9480 3.5271 3.5271 4.1072 4.1335 4.1335 4.1725 4.2767 4.2767 4.3316 4.3867 4.3867 4.4385 4.5455 4.5455 4.7904 4.8173 4.8205 4.8205 4.8606 4.9016 4.9016 4.9928 4.9928 5.1094 5.1321 5.1321 5.1773 5.1943 5.2110 5.2110 6.0226 6.0226 6.3526 6.3526 6.3616 6.4117 7.1950 7.1950 7.2104 7.2235 7.2704 7.2704 8.2186 8.2186 8.2262 8.2633 8.8098 8.8098 11.0497 11.0497 11.1340 11.2128 11.2128 11.2159 12.0398 12.0504 12.0504 12.0530 12.4263 12.4263 12.5684 12.5786 12.5786 12.6024 k = 0.3333 0.5774 0.5244 ( 6840 PWs) bands (ev): -31.3901 -31.3901 -31.3901 -31.3901 -31.3837 -31.3837 -12.7100 -12.7100 -12.6903 -12.6903 -12.6901 -12.6885 -12.3571 -12.3547 -12.3382 -12.3382 -12.3286 -12.3286 -12.3083 -12.3077 -12.2958 -12.2958 -12.2829 -12.2829 -1.2731 -1.2731 -0.9396 -0.9394 -0.9394 -0.9385 3.5144 3.5144 4.1116 4.1408 4.1408 4.1728 4.2810 4.2810 4.3338 4.3967 4.3967 4.4335 4.5552 4.5552 4.8111 4.8145 4.8200 4.8200 4.8699 4.9086 4.9086 4.9947 4.9947 5.1254 5.1387 5.1387 5.1813 5.1927 5.2130 5.2130 5.9772 5.9772 6.3580 6.3580 6.3668 6.4165 7.1571 7.1571 7.1677 7.1808 7.2521 7.2521 8.1772 8.1772 8.1848 8.2234 8.8008 8.8008 11.0495 11.0495 11.1547 11.2345 11.2345 11.2380 12.0058 12.0176 12.0176 12.0207 12.4266 12.4266 12.5400 12.5551 12.5551 12.5749 k = 0.3333 0.5774 0.5472 ( 6834 PWs) bands (ev): -31.3900 -31.3900 -31.3900 -31.3900 -31.3837 -31.3837 -12.7102 -12.7102 -12.6907 -12.6907 -12.6905 -12.6889 -12.3570 -12.3546 -12.3388 -12.3388 -12.3292 -12.3292 -12.3092 -12.3086 -12.2960 -12.2960 -12.2832 -12.2832 -1.2602 -1.2602 -0.9303 -0.9301 -0.9301 -0.9293 3.5022 3.5022 4.1156 4.1477 4.1477 4.1727 4.2834 4.2834 4.3361 4.4073 4.4073 4.4282 4.5652 4.5652 4.8118 4.8186 4.8186 4.8218 4.8895 4.9153 4.9153 4.9979 4.9979 5.1336 5.1464 5.1464 5.1920 5.1929 5.2157 5.2157 5.9280 5.9280 6.3627 6.3627 6.3715 6.4204 7.1219 7.1219 7.1291 7.1420 7.2422 7.2422 8.1341 8.1341 8.1420 8.1817 8.7920 8.7920 11.0442 11.0442 11.1725 11.2529 11.2529 11.2562 11.9784 11.9908 11.9908 11.9945 12.4282 12.4282 12.5131 12.5314 12.5314 12.5486 k = 0.3333 0.5774 0.5700 ( 6831 PWs) bands (ev): -31.3899 -31.3899 -31.3899 -31.3899 -31.3836 -31.3836 -12.7104 -12.7104 -12.6911 -12.6911 -12.6908 -12.6893 -12.3569 -12.3546 -12.3394 -12.3394 -12.3298 -12.3298 -12.3101 -12.3094 -12.2962 -12.2962 -12.2834 -12.2834 -1.2477 -1.2477 -0.9214 -0.9213 -0.9213 -0.9204 3.4906 3.4906 4.1194 4.1544 4.1544 4.1721 4.2843 4.2843 4.3384 4.4180 4.4180 4.4228 4.5756 4.5756 4.8092 4.8167 4.8167 4.8249 4.9161 4.9211 4.9211 5.0027 5.0027 5.1352 5.1547 5.1547 5.1926 5.2106 5.2195 5.2195 5.8759 5.8759 6.3663 6.3663 6.3758 6.4234 7.0906 7.0906 7.0949 7.1074 7.2392 7.2392 8.0897 8.0897 8.0983 8.1387 8.7835 8.7835 11.0345 11.0345 11.1872 11.2676 11.2676 11.2699 11.9585 11.9707 11.9707 11.9751 12.4310 12.4310 12.4874 12.5085 12.5085 12.5233 k = 0.3333 0.5774 0.5928 ( 6834 PWs) bands (ev): -31.3899 -31.3899 -31.3899 -31.3899 -31.3835 -31.3835 -12.7106 -12.7106 -12.6915 -12.6915 -12.6912 -12.6897 -12.3569 -12.3546 -12.3401 -12.3401 -12.3304 -12.3304 -12.3109 -12.3102 -12.2964 -12.2964 -12.2836 -12.2836 -1.2358 -1.2358 -0.9130 -0.9128 -0.9128 -0.9120 3.4796 3.4796 4.1228 4.1608 4.1608 4.1712 4.2838 4.2838 4.3407 4.4174 4.4282 4.4282 4.5867 4.5867 4.8068 4.8145 4.8145 4.8248 4.9256 4.9256 4.9446 5.0089 5.0089 5.1336 5.1631 5.1631 5.1948 5.2249 5.2249 5.2309 5.8220 5.8220 6.3687 6.3687 6.3794 6.4252 7.0637 7.0637 7.0653 7.0774 7.2413 7.2413 8.0445 8.0445 8.0542 8.0948 8.7755 8.7755 11.0210 11.0210 11.1986 11.2782 11.2782 11.2786 11.9466 11.9579 11.9579 11.9626 12.4345 12.4345 12.4627 12.4866 12.4866 12.4987 k = 0.3333 0.5774 0.6156 ( 6828 PWs) bands (ev): -31.3898 -31.3898 -31.3898 -31.3898 -31.3835 -31.3835 -12.7108 -12.7108 -12.6919 -12.6919 -12.6915 -12.6901 -12.3568 -12.3547 -12.3407 -12.3407 -12.3309 -12.3309 -12.3116 -12.3110 -12.2965 -12.2965 -12.2838 -12.2838 -1.2245 -1.2245 -0.9050 -0.9048 -0.9048 -0.9041 3.4693 3.4693 4.1260 4.1671 4.1671 4.1700 4.2824 4.2824 4.3430 4.4121 4.4375 4.4375 4.5984 4.5984 4.8047 4.8124 4.8124 4.8232 4.9288 4.9288 4.9725 5.0162 5.0162 5.1306 5.1709 5.1709 5.1990 5.2323 5.2323 5.2516 5.7674 5.7674 6.3697 6.3697 6.3821 6.4257 7.0407 7.0417 7.0417 7.0521 7.2472 7.2472 7.9990 7.9990 8.0103 8.0504 8.7679 8.7679 11.0046 11.0046 11.2066 11.2825 11.2848 11.2848 11.9429 11.9521 11.9521 11.9571 12.4382 12.4382 12.4387 12.4661 12.4661 12.4747 k = 0.3333 0.5774 0.6384 ( 6834 PWs) bands (ev): -31.3898 -31.3898 -31.3898 -31.3898 -31.3834 -31.3834 -12.7110 -12.7110 -12.6923 -12.6923 -12.6917 -12.6905 -12.3567 -12.3547 -12.3412 -12.3412 -12.3314 -12.3314 -12.3123 -12.3116 -12.2967 -12.2967 -12.2840 -12.2840 -1.2139 -1.2139 -0.8975 -0.8974 -0.8974 -0.8967 3.4598 3.4598 4.1289 4.1685 4.1731 4.1731 4.2803 4.2803 4.3454 4.4070 4.4456 4.4456 4.6107 4.6107 4.8027 4.8104 4.8104 4.8211 4.9310 4.9310 4.9981 5.0245 5.0245 5.1271 5.1776 5.1776 5.2058 5.2418 5.2418 5.2713 5.7130 5.7130 6.3692 6.3692 6.3840 6.4247 7.0209 7.0247 7.0247 7.0316 7.2557 7.2557 7.9537 7.9537 7.9670 8.0061 8.7608 8.7608 10.9862 10.9862 11.2116 11.2819 11.2877 11.2877 11.9467 11.9530 11.9530 11.9580 12.4152 12.4372 12.4372 12.4509 12.4514 12.4514 k = 0.3333 0.5774 0.6612 ( 6834 PWs) bands (ev): -31.3897 -31.3897 -31.3897 -31.3897 -31.3834 -31.3834 -12.7111 -12.7111 -12.6926 -12.6926 -12.6920 -12.6909 -12.3566 -12.3548 -12.3417 -12.3417 -12.3319 -12.3319 -12.3129 -12.3123 -12.2968 -12.2968 -12.2841 -12.2841 -1.2042 -1.2042 -0.8907 -0.8906 -0.8906 -0.8899 3.4511 3.4511 4.1316 4.1668 4.1790 4.1790 4.2775 4.2775 4.3479 4.4020 4.4525 4.4525 4.6235 4.6235 4.8011 4.8088 4.8088 4.8186 4.9323 4.9323 5.0205 5.0337 5.0337 5.1233 5.1832 5.1832 5.2154 5.2528 5.2528 5.2896 5.6596 5.6596 6.3674 6.3674 6.3849 6.4223 7.0060 7.0127 7.0127 7.0158 7.2658 7.2658 7.9094 7.9094 7.9251 7.9627 8.7543 8.7543 10.9667 10.9667 11.2142 11.2777 11.2875 11.2875 11.9570 11.9596 11.9596 11.9647 12.3922 12.4216 12.4216 12.4272 12.4522 12.4522 k = 0.3333 0.5774 0.6840 ( 6840 PWs) bands (ev): -31.3897 -31.3897 -31.3897 -31.3897 -31.3833 -31.3833 -12.7113 -12.7113 -12.6930 -12.6930 -12.6922 -12.6912 -12.3566 -12.3549 -12.3422 -12.3422 -12.3324 -12.3324 -12.3134 -12.3128 -12.2968 -12.2968 -12.2843 -12.2843 -1.1954 -1.1954 -0.8845 -0.8845 -0.8845 -0.8838 3.4433 3.4433 4.1341 4.1649 4.1846 4.1846 4.2743 4.2743 4.3504 4.3972 4.4582 4.4582 4.6362 4.6362 4.7998 4.8075 4.8075 4.8160 4.9331 4.9331 5.0391 5.0436 5.0436 5.1195 5.1879 5.1879 5.2280 5.2645 5.2645 5.3057 5.6082 5.6082 6.3643 6.3643 6.3849 6.4187 6.9956 7.0045 7.0054 7.0054 7.2766 7.2766 7.8667 7.8667 7.8854 7.9207 8.7485 8.7485 10.9471 10.9471 11.2148 11.2709 11.2851 11.2851 11.9708 11.9708 11.9726 11.9763 12.3695 12.4029 12.4029 12.4036 12.4567 12.4567 k = 0.3333 0.5774 0.7068 ( 6837 PWs) bands (ev): -31.3896 -31.3896 -31.3896 -31.3896 -31.3833 -31.3833 -12.7114 -12.7114 -12.6932 -12.6932 -12.6924 -12.6915 -12.3565 -12.3550 -12.3426 -12.3426 -12.3328 -12.3328 -12.3138 -12.3133 -12.2969 -12.2969 -12.2844 -12.2844 -1.1876 -1.1876 -0.8790 -0.8790 -0.8790 -0.8784 3.4363 3.4363 4.1364 4.1629 4.1900 4.1900 4.2709 4.2709 4.3530 4.3928 4.4627 4.4627 4.6484 4.6484 4.7989 4.8067 4.8067 4.8133 4.9336 4.9336 5.0539 5.0542 5.0542 5.1158 5.1923 5.1923 5.2432 5.2757 5.2757 5.3193 5.5596 5.5596 6.3603 6.3603 6.3844 6.4140 6.9892 6.9971 7.0021 7.0021 7.2874 7.2874 7.8266 7.8266 7.8487 7.8809 8.7433 8.7433 10.9282 10.9282 11.2143 11.2625 11.2811 11.2811 11.9853 11.9853 11.9918 11.9921 12.3471 12.3799 12.3843 12.3843 12.4615 12.4615 k = 0.3333 0.5774 0.7296 ( 6813 PWs) bands (ev): -31.3896 -31.3896 -31.3896 -31.3896 -31.3833 -31.3833 -12.7115 -12.7115 -12.6934 -12.6934 -12.6925 -12.6917 -12.3564 -12.3551 -12.3429 -12.3429 -12.3332 -12.3332 -12.3141 -12.3137 -12.2969 -12.2969 -12.2844 -12.2844 -1.1809 -1.1809 -0.8744 -0.8744 -0.8743 -0.8738 3.4304 3.4304 4.1387 4.1607 4.1951 4.1951 4.2673 4.2673 4.3557 4.3885 4.4663 4.4663 4.6597 4.6597 4.7983 4.8063 4.8063 4.8108 4.9338 4.9338 5.0653 5.0654 5.0654 5.1122 5.1969 5.1969 5.2600 5.2851 5.2851 5.3300 5.5150 5.5150 6.3558 6.3558 6.3835 6.4087 6.9861 6.9930 7.0021 7.0021 7.2976 7.2976 7.7900 7.7900 7.8159 7.8444 8.7389 8.7389 10.9108 10.9108 11.2133 11.2534 11.2765 11.2765 12.0017 12.0017 12.0100 12.0139 12.3254 12.3563 12.3665 12.3665 12.4661 12.4661 k = 0.3333 0.5774 0.7524 ( 6816 PWs) bands (ev): -31.3896 -31.3896 -31.3896 -31.3896 -31.3832 -31.3832 -12.7116 -12.7116 -12.6936 -12.6936 -12.6926 -12.6920 -12.3563 -12.3553 -12.3432 -12.3432 -12.3335 -12.3335 -12.3144 -12.3140 -12.2969 -12.2969 -12.2845 -12.2845 -1.1753 -1.1753 -0.8705 -0.8705 -0.8704 -0.8699 3.4255 3.4255 4.1409 4.1585 4.1997 4.1997 4.2638 4.2638 4.3584 4.3845 4.4690 4.4690 4.6695 4.6695 4.7981 4.8063 4.8063 4.8084 4.9339 4.9339 5.0739 5.0767 5.0767 5.1086 5.2024 5.2024 5.2772 5.2911 5.2911 5.3374 5.4760 5.4760 6.3513 6.3513 6.3825 6.4030 6.9856 6.9913 7.0044 7.0044 7.3066 7.3066 7.7578 7.7578 7.7879 7.8119 8.7352 8.7352 10.8956 10.8956 11.2123 11.2443 11.2718 11.2718 12.0185 12.0185 12.0298 12.0365 12.3047 12.3330 12.3499 12.3499 12.4701 12.4701 k = 0.3333 0.5774 0.7752 ( 6825 PWs) bands (ev): -31.3895 -31.3895 -31.3895 -31.3895 -31.3832 -31.3832 -12.7117 -12.7117 -12.6938 -12.6938 -12.6927 -12.6922 -12.3562 -12.3554 -12.3434 -12.3434 -12.3337 -12.3337 -12.3146 -12.3143 -12.2970 -12.2970 -12.2845 -12.2845 -1.1709 -1.1709 -0.8674 -0.8674 -0.8673 -0.8669 3.4216 3.4216 4.1431 4.1563 4.2038 4.2038 4.2605 4.2605 4.3612 4.3806 4.4709 4.4709 4.6774 4.6774 4.7982 4.8061 4.8065 4.8065 4.9339 4.9339 5.0806 5.0874 5.0874 5.1050 5.2094 5.2094 5.2919 5.2919 5.2939 5.3414 5.4445 5.4445 6.3472 6.3472 6.3820 6.3976 6.9866 6.9911 7.0078 7.0078 7.3140 7.3140 7.7313 7.7313 7.7657 7.7845 8.7323 8.7323 10.8832 10.8832 11.2119 11.2358 11.2676 11.2676 12.0342 12.0342 12.0497 12.0581 12.2860 12.3105 12.3352 12.3352 12.4733 12.4734 k = 0.3333 0.5774 0.7980 ( 6825 PWs) bands (ev): -31.3895 -31.3895 -31.3895 -31.3895 -31.3832 -31.3832 -12.7118 -12.7118 -12.6939 -12.6939 -12.6927 -12.6924 -12.3561 -12.3556 -12.3436 -12.3436 -12.3339 -12.3339 -12.3147 -12.3146 -12.2970 -12.2970 -12.2846 -12.2846 -1.1677 -1.1677 -0.8652 -0.8652 -0.8650 -0.8648 3.4188 3.4188 4.1452 4.1540 4.2071 4.2071 4.2577 4.2577 4.3641 4.3770 4.4723 4.4723 4.6832 4.6832 4.7987 4.8040 4.8068 4.8068 4.9339 4.9339 5.0860 5.0965 5.0965 5.1016 5.2184 5.2184 5.2865 5.2865 5.3090 5.3418 5.4225 5.4225 6.3440 6.3440 6.3821 6.3926 6.9884 6.9915 7.0113 7.0113 7.3194 7.3194 7.7114 7.7114 7.7501 7.7630 8.7302 8.7302 10.8739 10.8739 11.2125 11.2284 11.2644 11.2644 12.0472 12.0472 12.0680 12.0762 12.2713 12.2900 12.3234 12.3234 12.4758 12.4758 k = 0.3333 0.5774 0.8208 ( 6810 PWs) bands (ev): -31.3895 -31.3895 -31.3895 -31.3895 -31.3832 -31.3832 -12.7118 -12.7118 -12.6939 -12.6939 -12.6926 -12.6925 -12.3559 -12.3557 -12.3437 -12.3437 -12.3340 -12.3340 -12.3148 -12.3147 -12.2970 -12.2970 -12.2846 -12.2846 -1.1658 -1.1658 -0.8639 -0.8639 -0.8636 -0.8635 3.4172 3.4172 4.1474 4.1518 4.2093 4.2093 4.2559 4.2559 4.3671 4.3736 4.4731 4.4731 4.6868 4.6868 4.7995 4.8022 4.8071 4.8071 4.9339 4.9339 5.0905 5.0981 5.1026 5.1026 5.2287 5.2287 5.2767 5.2767 5.3219 5.3386 5.4104 5.4104 6.3419 6.3419 6.3831 6.3884 6.9902 6.9918 7.0138 7.0138 7.3228 7.3228 7.6990 7.6990 7.7419 7.7484 8.7290 8.7290 10.8683 10.8683 11.2143 11.2222 11.2624 11.2624 12.0559 12.0559 12.0824 12.0877 12.2630 12.2735 12.3156 12.3156 12.4773 12.4773 k = 0.3333 0.5774 0.8436 ( 6816 PWs) bands (ev): -31.3895 -31.3895 -31.3895 -31.3895 -31.3832 -31.3832 -12.7118 -12.7118 -12.6939 -12.6939 -12.6926 -12.6926 -12.3558 -12.3558 -12.3437 -12.3437 -12.3340 -12.3340 -12.3148 -12.3148 -12.2970 -12.2970 -12.2846 -12.2846 -1.1651 -1.1651 -0.8635 -0.8635 -0.8631 -0.8631 3.4166 3.4166 4.1496 4.1496 4.2101 4.2101 4.2552 4.2552 4.3703 4.3703 4.4733 4.4733 4.6880 4.6880 4.8007 4.8007 4.8072 4.8072 4.9339 4.9339 5.0944 5.0944 5.1047 5.1047 5.2345 5.2345 5.2706 5.2706 5.3319 5.3319 5.4067 5.4067 6.3412 6.3412 6.3852 6.3852 6.9914 6.9914 7.0148 7.0148 7.3239 7.3239 7.6948 7.6948 7.7413 7.7413 8.7285 8.7285 10.8663 10.8663 11.2176 11.2176 11.2616 11.2616 12.0589 12.0589 12.0898 12.0898 12.2637 12.2637 12.3129 12.3129 12.4778 12.4778 Writing output data file CaAgAs.save init_run : 4.53s CPU 13.54s WALL ( 1 calls) electrons : 2547.70s CPU 2565.01s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.36s CPU 1.40s WALL ( 1 calls) Called by electrons: c_bands : 2547.68s CPU 2564.72s WALL ( 1 calls) v_of_rho : 0.14s CPU 0.85s WALL ( 1 calls) v_h : 0.01s CPU 0.06s WALL ( 1 calls) v_xc : 0.13s CPU 0.50s WALL ( 1 calls) newd : 0.51s CPU 0.79s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.10s CPU 0.22s WALL ( 262 calls) cegterg : 2446.81s CPU 2461.09s WALL ( 723 calls) Called by sum_band: Called by *egterg: h_psi : 794.94s CPU 806.12s WALL ( 13897 calls) s_psi : 121.13s CPU 121.53s WALL ( 13897 calls) g_psi : 2.12s CPU 2.11s WALL ( 12912 calls) cdiaghg : 1158.89s CPU 1158.45s WALL ( 13174 calls) cegterg:over : 208.68s CPU 206.32s WALL ( 12912 calls) cegterg:upda : 74.27s CPU 76.14s WALL ( 12912 calls) cegterg:last : 58.99s CPU 59.47s WALL ( 2231 calls) Called by h_psi: h_psi:vloc : 570.44s CPU 578.08s WALL ( 13897 calls) h_psi:vnl : 223.42s CPU 226.01s WALL ( 13897 calls) add_vuspsi : 94.70s CPU 99.27s WALL ( 13897 calls) General routines calbec : 128.62s CPU 126.61s WALL ( 13897 calls) fft : 0.28s CPU 1.33s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 546.21s CPU 551.26s WALL ( 2323160 calls) interpolate : 0.05s CPU 0.05s WALL ( 4 calls) davcio : 0.03s CPU 2.91s WALL ( 524 calls) Parallel routines fft_scatter : 338.59s CPU 344.17s WALL ( 2323183 calls) PWSCF : 44m 3.38s CPU 46m56.80s WALL This run was terminated on: 22:59: 6 3Nov2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=