Program PWSCF v.5.1.1 starts on 14Nov2015 at 12:43:22 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 2058 1126 176 Max 73 49 15 2061 1147 179 Sum 3481 2347 673 98839 54533 8455 bravais-lattice index = 14 lattice parameter (alat) = 13.6079 a.u. unit-cell volume = 1291.8976 (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)= 13.607917 celldm(2)= 1.000000 celldm(3)= 0.592001 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 0.592001 ) 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 1.689186 ) 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 0.0228268), wk = 0.0038168 k( 77) = ( 0.0000000 0.0000000 0.0456537), wk = 0.0038168 k( 78) = ( 0.0000000 0.0000000 0.0684805), wk = 0.0038168 k( 79) = ( 0.0000000 0.0000000 0.0913073), wk = 0.0038168 k( 80) = ( 0.0000000 0.0000000 0.1141342), wk = 0.0038168 k( 81) = ( 0.0000000 0.0000000 0.1369610), wk = 0.0038168 k( 82) = ( 0.0000000 0.0000000 0.1597879), wk = 0.0038168 k( 83) = ( 0.0000000 0.0000000 0.1826147), wk = 0.0038168 k( 84) = ( 0.0000000 0.0000000 0.2054415), wk = 0.0038168 k( 85) = ( 0.0000000 0.0000000 0.2282684), wk = 0.0038168 k( 86) = ( 0.0000000 0.0000000 0.2510952), wk = 0.0038168 k( 87) = ( 0.0000000 0.0000000 0.2739221), wk = 0.0038168 k( 88) = ( 0.0000000 0.0000000 0.2967489), wk = 0.0038168 k( 89) = ( 0.0000000 0.0000000 0.3195757), wk = 0.0038168 k( 90) = ( 0.0000000 0.0000000 0.3424026), wk = 0.0038168 k( 91) = ( 0.0000000 0.0000000 0.3652294), wk = 0.0038168 k( 92) = ( 0.0000000 0.0000000 0.3880562), wk = 0.0038168 k( 93) = ( 0.0000000 0.0000000 0.4108831), wk = 0.0038168 k( 94) = ( 0.0000000 0.0000000 0.4337099), wk = 0.0038168 k( 95) = ( 0.0000000 0.0000000 0.4565368), wk = 0.0038168 k( 96) = ( 0.0000000 0.0000000 0.4793636), wk = 0.0038168 k( 97) = ( 0.0000000 0.0000000 0.5021904), wk = 0.0038168 k( 98) = ( 0.0000000 0.0000000 0.5250173), wk = 0.0038168 k( 99) = ( 0.0000000 0.0000000 0.5478441), wk = 0.0038168 k( 100) = ( 0.0000000 0.0000000 0.5706710), wk = 0.0038168 k( 101) = ( 0.0000000 0.0000000 0.5934978), wk = 0.0038168 k( 102) = ( 0.0000000 0.0000000 0.6163246), wk = 0.0038168 k( 103) = ( 0.0000000 0.0000000 0.6391515), wk = 0.0038168 k( 104) = ( 0.0000000 0.0000000 0.6619783), wk = 0.0038168 k( 105) = ( 0.0000000 0.0000000 0.6848052), wk = 0.0038168 k( 106) = ( 0.0000000 0.0000000 0.7076320), wk = 0.0038168 k( 107) = ( 0.0000000 0.0000000 0.7304588), wk = 0.0038168 k( 108) = ( 0.0000000 0.0000000 0.7532857), wk = 0.0038168 k( 109) = ( 0.0000000 0.0000000 0.7761125), wk = 0.0038168 k( 110) = ( 0.0000000 0.0000000 0.7989393), wk = 0.0038168 k( 111) = ( 0.0000000 0.0000000 0.8217662), wk = 0.0038168 k( 112) = ( 0.0000000 0.0000000 0.8445930), wk = 0.0038168 k( 113) = ( 0.0000000 0.0000000 0.8445930), wk = 0.0038168 k( 114) = ( 0.0192308 0.0111029 0.8445930), wk = 0.0038168 k( 115) = ( 0.0384615 0.0222058 0.8445930), wk = 0.0038168 k( 116) = ( 0.0576923 0.0333087 0.8445930), wk = 0.0038168 k( 117) = ( 0.0769231 0.0444116 0.8445930), wk = 0.0038168 k( 118) = ( 0.0961538 0.0555145 0.8445930), wk = 0.0038168 k( 119) = ( 0.1153846 0.0666173 0.8445930), wk = 0.0038168 k( 120) = ( 0.1346154 0.0777202 0.8445930), wk = 0.0038168 k( 121) = ( 0.1538461 0.0888231 0.8445930), wk = 0.0038168 k( 122) = ( 0.1730769 0.0999260 0.8445930), wk = 0.0038168 k( 123) = ( 0.1923077 0.1110289 0.8445930), wk = 0.0038168 k( 124) = ( 0.2115385 0.1221318 0.8445930), wk = 0.0038168 k( 125) = ( 0.2307692 0.1332347 0.8445930), wk = 0.0038168 k( 126) = ( 0.2500000 0.1443376 0.8445930), wk = 0.0038168 k( 127) = ( 0.2692308 0.1554405 0.8445930), wk = 0.0038168 k( 128) = ( 0.2884615 0.1665433 0.8445930), wk = 0.0038168 k( 129) = ( 0.3076923 0.1776462 0.8445930), wk = 0.0038168 k( 130) = ( 0.3269231 0.1887491 0.8445930), wk = 0.0038168 k( 131) = ( 0.3461538 0.1998520 0.8445930), wk = 0.0038168 k( 132) = ( 0.3653846 0.2109549 0.8445930), wk = 0.0038168 k( 133) = ( 0.3846154 0.2220578 0.8445930), wk = 0.0038168 k( 134) = ( 0.4038462 0.2331607 0.8445930), wk = 0.0038168 k( 135) = ( 0.4230769 0.2442636 0.8445930), wk = 0.0038168 k( 136) = ( 0.4423077 0.2553665 0.8445930), wk = 0.0038168 k( 137) = ( 0.4615385 0.2664694 0.8445930), wk = 0.0038168 k( 138) = ( 0.4807692 0.2775722 0.8445930), wk = 0.0038168 k( 139) = ( 0.5000000 0.2886751 0.8445930), wk = 0.0038168 k( 140) = ( 0.5000000 0.2886751 0.8445930), wk = 0.0038168 k( 141) = ( 0.4888889 0.3079201 0.8445930), wk = 0.0038168 k( 142) = ( 0.4777778 0.3271651 0.8445930), wk = 0.0038168 k( 143) = ( 0.4666667 0.3464102 0.8445930), wk = 0.0038168 k( 144) = ( 0.4555556 0.3656552 0.8445930), wk = 0.0038168 k( 145) = ( 0.4444444 0.3849002 0.8445930), wk = 0.0038168 k( 146) = ( 0.4333333 0.4041452 0.8445930), wk = 0.0038168 k( 147) = ( 0.4222222 0.4233902 0.8445930), wk = 0.0038168 k( 148) = ( 0.4111111 0.4426352 0.8445930), wk = 0.0038168 k( 149) = ( 0.4000000 0.4618802 0.8445930), wk = 0.0038168 k( 150) = ( 0.3888889 0.4811252 0.8445930), wk = 0.0038168 k( 151) = ( 0.3777778 0.5003702 0.8445930), wk = 0.0038168 k( 152) = ( 0.3666667 0.5196152 0.8445930), wk = 0.0038168 k( 153) = ( 0.3555556 0.5388603 0.8445930), wk = 0.0038168 k( 154) = ( 0.3444444 0.5581053 0.8445930), wk = 0.0038168 k( 155) = ( 0.3333333 0.5773503 0.8445930), wk = 0.0038168 k( 156) = ( 0.3333333 0.5773503 0.8445930), wk = 0.0038168 k( 157) = ( 0.3222222 0.5581053 0.8445930), wk = 0.0038168 k( 158) = ( 0.3111111 0.5388602 0.8445930), wk = 0.0038168 k( 159) = ( 0.3000000 0.5196152 0.8445930), wk = 0.0038168 k( 160) = ( 0.2888889 0.5003702 0.8445930), wk = 0.0038168 k( 161) = ( 0.2777778 0.4811252 0.8445930), wk = 0.0038168 k( 162) = ( 0.2666667 0.4618802 0.8445930), wk = 0.0038168 k( 163) = ( 0.2555556 0.4426352 0.8445930), wk = 0.0038168 k( 164) = ( 0.2444444 0.4233902 0.8445930), wk = 0.0038168 k( 165) = ( 0.2333333 0.4041452 0.8445930), wk = 0.0038168 k( 166) = ( 0.2222222 0.3849002 0.8445930), wk = 0.0038168 k( 167) = ( 0.2111111 0.3656552 0.8445930), wk = 0.0038168 k( 168) = ( 0.2000000 0.3464102 0.8445930), wk = 0.0038168 k( 169) = ( 0.1888889 0.3271652 0.8445930), wk = 0.0038168 k( 170) = ( 0.1777778 0.3079201 0.8445930), wk = 0.0038168 k( 171) = ( 0.1666667 0.2886751 0.8445930), wk = 0.0038168 k( 172) = ( 0.1555556 0.2694301 0.8445930), wk = 0.0038168 k( 173) = ( 0.1444444 0.2501851 0.8445930), wk = 0.0038168 k( 174) = ( 0.1333333 0.2309401 0.8445930), wk = 0.0038168 k( 175) = ( 0.1222222 0.2116951 0.8445930), wk = 0.0038168 k( 176) = ( 0.1111111 0.1924501 0.8445930), wk = 0.0038168 k( 177) = ( 0.1000000 0.1732051 0.8445930), wk = 0.0038168 k( 178) = ( 0.0888889 0.1539601 0.8445930), wk = 0.0038168 k( 179) = ( 0.0777778 0.1347151 0.8445930), wk = 0.0038168 k( 180) = ( 0.0666667 0.1154701 0.8445930), wk = 0.0038168 k( 181) = ( 0.0555556 0.0962251 0.8445930), wk = 0.0038168 k( 182) = ( 0.0444444 0.0769800 0.8445930), wk = 0.0038168 k( 183) = ( 0.0333333 0.0577350 0.8445930), wk = 0.0038168 k( 184) = ( 0.0222222 0.0384900 0.8445930), wk = 0.0038168 k( 185) = ( 0.0111111 0.0192450 0.8445930), wk = 0.0038168 k( 186) = ( 0.0000000 0.0000000 0.8445930), wk = 0.0038168 k( 187) = ( 0.5000000 0.2886751 0.8445930), wk = 0.0038168 k( 188) = ( 0.5000000 0.2886751 0.8217662), wk = 0.0038168 k( 189) = ( 0.5000000 0.2886751 0.7989393), wk = 0.0038168 k( 190) = ( 0.5000000 0.2886751 0.7761125), wk = 0.0038168 k( 191) = ( 0.5000000 0.2886751 0.7532857), wk = 0.0038168 k( 192) = ( 0.5000000 0.2886751 0.7304588), wk = 0.0038168 k( 193) = ( 0.5000000 0.2886751 0.7076320), wk = 0.0038168 k( 194) = ( 0.5000000 0.2886751 0.6848052), wk = 0.0038168 k( 195) = ( 0.5000000 0.2886751 0.6619783), wk = 0.0038168 k( 196) = ( 0.5000000 0.2886751 0.6391515), wk = 0.0038168 k( 197) = ( 0.5000000 0.2886751 0.6163246), wk = 0.0038168 k( 198) = ( 0.5000000 0.2886751 0.5934978), wk = 0.0038168 k( 199) = ( 0.5000000 0.2886751 0.5706710), wk = 0.0038168 k( 200) = ( 0.5000000 0.2886751 0.5478441), wk = 0.0038168 k( 201) = ( 0.5000000 0.2886751 0.5250173), wk = 0.0038168 k( 202) = ( 0.5000000 0.2886751 0.5021904), wk = 0.0038168 k( 203) = ( 0.5000000 0.2886751 0.4793636), wk = 0.0038168 k( 204) = ( 0.5000000 0.2886751 0.4565368), wk = 0.0038168 k( 205) = ( 0.5000000 0.2886751 0.4337099), wk = 0.0038168 k( 206) = ( 0.5000000 0.2886751 0.4108831), wk = 0.0038168 k( 207) = ( 0.5000000 0.2886751 0.3880562), wk = 0.0038168 k( 208) = ( 0.5000000 0.2886751 0.3652294), wk = 0.0038168 k( 209) = ( 0.5000000 0.2886751 0.3424026), wk = 0.0038168 k( 210) = ( 0.5000000 0.2886751 0.3195757), wk = 0.0038168 k( 211) = ( 0.5000000 0.2886751 0.2967489), wk = 0.0038168 k( 212) = ( 0.5000000 0.2886751 0.2739221), wk = 0.0038168 k( 213) = ( 0.5000000 0.2886751 0.2510952), wk = 0.0038168 k( 214) = ( 0.5000000 0.2886751 0.2282684), wk = 0.0038168 k( 215) = ( 0.5000000 0.2886751 0.2054415), wk = 0.0038168 k( 216) = ( 0.5000000 0.2886751 0.1826147), wk = 0.0038168 k( 217) = ( 0.5000000 0.2886751 0.1597879), wk = 0.0038168 k( 218) = ( 0.5000000 0.2886751 0.1369610), wk = 0.0038168 k( 219) = ( 0.5000000 0.2886751 0.1141342), wk = 0.0038168 k( 220) = ( 0.5000000 0.2886751 0.0913073), wk = 0.0038168 k( 221) = ( 0.5000000 0.2886751 0.0684805), wk = 0.0038168 k( 222) = ( 0.5000000 0.2886751 0.0456537), wk = 0.0038168 k( 223) = ( 0.5000000 0.2886751 0.0228268), 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 0.0228268), wk = 0.0038168 k( 227) = ( 0.3333333 0.5773503 0.0456537), wk = 0.0038168 k( 228) = ( 0.3333333 0.5773503 0.0684805), wk = 0.0038168 k( 229) = ( 0.3333333 0.5773503 0.0913073), wk = 0.0038168 k( 230) = ( 0.3333333 0.5773503 0.1141342), wk = 0.0038168 k( 231) = ( 0.3333333 0.5773503 0.1369610), wk = 0.0038168 k( 232) = ( 0.3333333 0.5773503 0.1597879), wk = 0.0038168 k( 233) = ( 0.3333333 0.5773503 0.1826147), wk = 0.0038168 k( 234) = ( 0.3333333 0.5773503 0.2054415), wk = 0.0038168 k( 235) = ( 0.3333333 0.5773503 0.2282684), wk = 0.0038168 k( 236) = ( 0.3333333 0.5773503 0.2510952), wk = 0.0038168 k( 237) = ( 0.3333333 0.5773503 0.2739221), wk = 0.0038168 k( 238) = ( 0.3333333 0.5773503 0.2967489), wk = 0.0038168 k( 239) = ( 0.3333333 0.5773503 0.3195757), wk = 0.0038168 k( 240) = ( 0.3333333 0.5773503 0.3424026), wk = 0.0038168 k( 241) = ( 0.3333333 0.5773503 0.3652294), wk = 0.0038168 k( 242) = ( 0.3333333 0.5773503 0.3880562), wk = 0.0038168 k( 243) = ( 0.3333333 0.5773503 0.4108831), wk = 0.0038168 k( 244) = ( 0.3333333 0.5773503 0.4337099), wk = 0.0038168 k( 245) = ( 0.3333333 0.5773503 0.4565368), wk = 0.0038168 k( 246) = ( 0.3333333 0.5773503 0.4793636), wk = 0.0038168 k( 247) = ( 0.3333333 0.5773503 0.5021904), wk = 0.0038168 k( 248) = ( 0.3333333 0.5773503 0.5250173), wk = 0.0038168 k( 249) = ( 0.3333333 0.5773503 0.5478441), wk = 0.0038168 k( 250) = ( 0.3333333 0.5773503 0.5706710), wk = 0.0038168 k( 251) = ( 0.3333333 0.5773503 0.5934978), wk = 0.0038168 k( 252) = ( 0.3333333 0.5773503 0.6163246), wk = 0.0038168 k( 253) = ( 0.3333333 0.5773503 0.6391515), wk = 0.0038168 k( 254) = ( 0.3333333 0.5773503 0.6619783), wk = 0.0038168 k( 255) = ( 0.3333333 0.5773503 0.6848052), wk = 0.0038168 k( 256) = ( 0.3333333 0.5773503 0.7076320), wk = 0.0038168 k( 257) = ( 0.3333333 0.5773503 0.7304588), wk = 0.0038168 k( 258) = ( 0.3333333 0.5773503 0.7532857), wk = 0.0038168 k( 259) = ( 0.3333333 0.5773503 0.7761125), wk = 0.0038168 k( 260) = ( 0.3333333 0.5773503 0.7989393), wk = 0.0038168 k( 261) = ( 0.3333333 0.5773503 0.8217662), wk = 0.0038168 k( 262) = ( 0.3333333 0.5773503 0.8445930), 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 0.0540540), 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 0.1486486), 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 0.3513513), 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 0.4459459), 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 0.4459459), 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 0.3513513), 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 0.0540540), 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 0.1486486), 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 0.3513513), 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 0.4459459), 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: 98839 G-vectors FFT dimensions: ( 72, 72, 45) Smooth grid: 54533 G-vectors FFT dimensions: ( 60, 60, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.42 Mb ( 294, 94) NL pseudopotentials 0.55 Mb ( 147, 246) Each V/rho on FFT grid 0.08 Mb ( 5184) Each G-vector array 0.02 Mb ( 2061) G-vector shells 0.01 Mb ( 985) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.69 Mb ( 294, 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 54.4 secs Computing kpt #: 2 total cpu time spent up to now is 65.5 secs Computing kpt #: 3 total cpu time spent up to now is 75.6 secs Computing kpt #: 4 total cpu time spent up to now is 84.6 secs Computing kpt #: 5 total cpu time spent up to now is 94.2 secs Computing kpt #: 6 total cpu time spent up to now is 102.7 secs Computing kpt #: 7 total cpu time spent up to now is 111.9 secs Computing kpt #: 8 total cpu time spent up to now is 121.8 secs Computing kpt #: 9 total cpu time spent up to now is 132.2 secs Computing kpt #: 10 total cpu time spent up to now is 142.1 secs Computing kpt #: 11 total cpu time spent up to now is 150.7 secs Computing kpt #: 12 total cpu time spent up to now is 159.3 secs Computing kpt #: 13 total cpu time spent up to now is 167.6 secs Computing kpt #: 14 total cpu time spent up to now is 176.2 secs Computing kpt #: 15 total cpu time spent up to now is 184.8 secs Computing kpt #: 16 total cpu time spent up to now is 193.4 secs Computing kpt #: 17 total cpu time spent up to now is 202.8 secs Computing kpt #: 18 total cpu time spent up to now is 212.7 secs Computing kpt #: 19 total cpu time spent up to now is 224.7 secs Computing kpt #: 20 total cpu time spent up to now is 234.3 secs Computing kpt #: 21 total cpu time spent up to now is 243.0 secs Computing kpt #: 22 total cpu time spent up to now is 251.6 secs Computing kpt #: 23 total cpu time spent up to now is 260.3 secs Computing kpt #: 24 total cpu time spent up to now is 269.1 secs Computing kpt #: 25 total cpu time spent up to now is 278.1 secs Computing kpt #: 26 total cpu time spent up to now is 287.3 secs Computing kpt #: 27 total cpu time spent up to now is 296.0 secs Computing kpt #: 28 total cpu time spent up to now is 305.1 secs Computing kpt #: 29 total cpu time spent up to now is 314.0 secs Computing kpt #: 30 total cpu time spent up to now is 323.2 secs Computing kpt #: 31 total cpu time spent up to now is 332.3 secs Computing kpt #: 32 total cpu time spent up to now is 343.0 secs Computing kpt #: 33 total cpu time spent up to now is 351.9 secs Computing kpt #: 34 total cpu time spent up to now is 360.7 secs Computing kpt #: 35 total cpu time spent up to now is 369.7 secs Computing kpt #: 36 total cpu time spent up to now is 378.6 secs Computing kpt #: 37 total cpu time spent up to now is 387.8 secs Computing kpt #: 38 total cpu time spent up to now is 396.9 secs Computing kpt #: 39 total cpu time spent up to now is 406.3 secs Computing kpt #: 40 total cpu time spent up to now is 415.9 secs Computing kpt #: 41 total cpu time spent up to now is 425.1 secs Computing kpt #: 42 total cpu time spent up to now is 436.0 secs Computing kpt #: 43 total cpu time spent up to now is 448.3 secs Computing kpt #: 44 total cpu time spent up to now is 460.6 secs Computing kpt #: 45 total cpu time spent up to now is 470.3 secs Computing kpt #: 46 total cpu time spent up to now is 479.7 secs Computing kpt #: 47 total cpu time spent up to now is 489.5 secs Computing kpt #: 48 total cpu time spent up to now is 498.8 secs Computing kpt #: 49 total cpu time spent up to now is 508.2 secs Computing kpt #: 50 total cpu time spent up to now is 517.7 secs Computing kpt #: 51 total cpu time spent up to now is 526.7 secs Computing kpt #: 52 total cpu time spent up to now is 536.3 secs Computing kpt #: 53 total cpu time spent up to now is 545.7 secs Computing kpt #: 54 total cpu time spent up to now is 556.3 secs Computing kpt #: 55 total cpu time spent up to now is 566.2 secs Computing kpt #: 56 total cpu time spent up to now is 576.0 secs Computing kpt #: 57 total cpu time spent up to now is 584.6 secs Computing kpt #: 58 total cpu time spent up to now is 593.4 secs Computing kpt #: 59 total cpu time spent up to now is 601.9 secs Computing kpt #: 60 total cpu time spent up to now is 610.5 secs Computing kpt #: 61 total cpu time spent up to now is 618.8 secs Computing kpt #: 62 total cpu time spent up to now is 627.7 secs Computing kpt #: 63 total cpu time spent up to now is 637.6 secs Computing kpt #: 64 total cpu time spent up to now is 646.6 secs Computing kpt #: 65 total cpu time spent up to now is 656.2 secs Computing kpt #: 66 total cpu time spent up to now is 666.4 secs Computing kpt #: 67 total cpu time spent up to now is 675.8 secs Computing kpt #: 68 total cpu time spent up to now is 684.9 secs Computing kpt #: 69 total cpu time spent up to now is 694.0 secs Computing kpt #: 70 total cpu time spent up to now is 702.9 secs Computing kpt #: 71 total cpu time spent up to now is 711.9 secs Computing kpt #: 72 total cpu time spent up to now is 721.8 secs Computing kpt #: 73 total cpu time spent up to now is 731.8 secs Computing kpt #: 74 total cpu time spent up to now is 743.2 secs Computing kpt #: 75 total cpu time spent up to now is 755.2 secs Computing kpt #: 76 total cpu time spent up to now is 765.2 secs Computing kpt #: 77 total cpu time spent up to now is 775.5 secs Computing kpt #: 78 total cpu time spent up to now is 785.5 secs Computing kpt #: 79 total cpu time spent up to now is 795.3 secs Computing kpt #: 80 total cpu time spent up to now is 804.7 secs Computing kpt #: 81 total cpu time spent up to now is 814.3 secs Computing kpt #: 82 total cpu time spent up to now is 824.1 secs Computing kpt #: 83 total cpu time spent up to now is 833.7 secs Computing kpt #: 84 total cpu time spent up to now is 842.8 secs Computing kpt #: 85 total cpu time spent up to now is 851.9 secs Computing kpt #: 86 total cpu time spent up to now is 861.0 secs Computing kpt #: 87 total cpu time spent up to now is 869.9 secs Computing kpt #: 88 total cpu time spent up to now is 879.1 secs Computing kpt #: 89 total cpu time spent up to now is 887.9 secs Computing kpt #: 90 total cpu time spent up to now is 896.9 secs Computing kpt #: 91 total cpu time spent up to now is 905.6 secs Computing kpt #: 92 total cpu time spent up to now is 914.2 secs Computing kpt #: 93 total cpu time spent up to now is 923.1 secs Computing kpt #: 94 total cpu time spent up to now is 931.9 secs Computing kpt #: 95 total cpu time spent up to now is 942.1 secs Computing kpt #: 96 total cpu time spent up to now is 950.7 secs Computing kpt #: 97 total cpu time spent up to now is 959.2 secs Computing kpt #: 98 total cpu time spent up to now is 968.1 secs Computing kpt #: 99 total cpu time spent up to now is 976.4 secs Computing kpt #: 100 total cpu time spent up to now is 984.9 secs Computing kpt #: 101 total cpu time spent up to now is 993.4 secs Computing kpt #: 102 total cpu time spent up to now is 1002.1 secs Computing kpt #: 103 total cpu time spent up to now is 1010.9 secs Computing kpt #: 104 total cpu time spent up to now is 1019.6 secs Computing kpt #: 105 total cpu time spent up to now is 1028.5 secs Computing kpt #: 106 total cpu time spent up to now is 1037.5 secs Computing kpt #: 107 total cpu time spent up to now is 1046.3 secs Computing kpt #: 108 total cpu time spent up to now is 1055.2 secs Computing kpt #: 109 total cpu time spent up to now is 1063.9 secs Computing kpt #: 110 total cpu time spent up to now is 1072.1 secs Computing kpt #: 111 total cpu time spent up to now is 1080.5 secs Computing kpt #: 112 total cpu time spent up to now is 1088.9 secs Computing kpt #: 113 total cpu time spent up to now is 1097.2 secs Computing kpt #: 114 total cpu time spent up to now is 1105.7 secs Computing kpt #: 115 total cpu time spent up to now is 1114.0 secs Computing kpt #: 116 total cpu time spent up to now is 1122.4 secs Computing kpt #: 117 total cpu time spent up to now is 1131.0 secs Computing kpt #: 118 total cpu time spent up to now is 1139.7 secs Computing kpt #: 119 total cpu time spent up to now is 1148.6 secs Computing kpt #: 120 total cpu time spent up to now is 1157.4 secs Computing kpt #: 121 total cpu time spent up to now is 1166.6 secs Computing kpt #: 122 total cpu time spent up to now is 1175.7 secs Computing kpt #: 123 total cpu time spent up to now is 1184.6 secs Computing kpt #: 124 total cpu time spent up to now is 1194.0 secs Computing kpt #: 125 total cpu time spent up to now is 1204.0 secs Computing kpt #: 126 total cpu time spent up to now is 1216.9 secs Computing kpt #: 127 total cpu time spent up to now is 1227.0 secs Computing kpt #: 128 total cpu time spent up to now is 1236.8 secs Computing kpt #: 129 total cpu time spent up to now is 1246.5 secs Computing kpt #: 130 total cpu time spent up to now is 1255.4 secs Computing kpt #: 131 total cpu time spent up to now is 1264.5 secs Computing kpt #: 132 total cpu time spent up to now is 1273.6 secs Computing kpt #: 133 total cpu time spent up to now is 1282.8 secs Computing kpt #: 134 total cpu time spent up to now is 1291.6 secs Computing kpt #: 135 total cpu time spent up to now is 1300.3 secs Computing kpt #: 136 total cpu time spent up to now is 1309.3 secs Computing kpt #: 137 total cpu time spent up to now is 1318.2 secs Computing kpt #: 138 total cpu time spent up to now is 1326.9 secs Computing kpt #: 139 total cpu time spent up to now is 1335.7 secs Computing kpt #: 140 total cpu time spent up to now is 1344.4 secs Computing kpt #: 141 total cpu time spent up to now is 1353.0 secs Computing kpt #: 142 total cpu time spent up to now is 1361.6 secs Computing kpt #: 143 total cpu time spent up to now is 1370.4 secs Computing kpt #: 144 total cpu time spent up to now is 1379.0 secs Computing kpt #: 145 total cpu time spent up to now is 1388.2 secs Computing kpt #: 146 total cpu time spent up to now is 1396.7 secs Computing kpt #: 147 total cpu time spent up to now is 1405.3 secs Computing kpt #: 148 total cpu time spent up to now is 1414.7 secs Computing kpt #: 149 total cpu time spent up to now is 1423.8 secs Computing kpt #: 150 total cpu time spent up to now is 1432.8 secs Computing kpt #: 151 total cpu time spent up to now is 1442.1 secs Computing kpt #: 152 total cpu time spent up to now is 1451.5 secs Computing kpt #: 153 total cpu time spent up to now is 1460.9 secs Computing kpt #: 154 total cpu time spent up to now is 1470.2 secs Computing kpt #: 155 total cpu time spent up to now is 1478.7 secs Computing kpt #: 156 total cpu time spent up to now is 1488.2 secs Computing kpt #: 157 total cpu time spent up to now is 1497.0 secs Computing kpt #: 158 total cpu time spent up to now is 1506.4 secs Computing kpt #: 159 total cpu time spent up to now is 1515.7 secs Computing kpt #: 160 total cpu time spent up to now is 1524.6 secs Computing kpt #: 161 total cpu time spent up to now is 1533.6 secs Computing kpt #: 162 total cpu time spent up to now is 1545.3 secs Computing kpt #: 163 total cpu time spent up to now is 1555.0 secs Computing kpt #: 164 total cpu time spent up to now is 1564.5 secs Computing kpt #: 165 total cpu time spent up to now is 1573.9 secs Computing kpt #: 166 total cpu time spent up to now is 1583.9 secs Computing kpt #: 167 total cpu time spent up to now is 1593.9 secs Computing kpt #: 168 total cpu time spent up to now is 1604.5 secs Computing kpt #: 169 total cpu time spent up to now is 1614.5 secs Computing kpt #: 170 total cpu time spent up to now is 1624.3 secs Computing kpt #: 171 total cpu time spent up to now is 1634.2 secs Computing kpt #: 172 total cpu time spent up to now is 1643.7 secs Computing kpt #: 173 total cpu time spent up to now is 1653.8 secs Computing kpt #: 174 total cpu time spent up to now is 1663.3 secs Computing kpt #: 175 total cpu time spent up to now is 1672.8 secs Computing kpt #: 176 total cpu time spent up to now is 1682.0 secs Computing kpt #: 177 total cpu time spent up to now is 1691.3 secs Computing kpt #: 178 total cpu time spent up to now is 1700.4 secs Computing kpt #: 179 total cpu time spent up to now is 1709.2 secs Computing kpt #: 180 total cpu time spent up to now is 1717.8 secs Computing kpt #: 181 total cpu time spent up to now is 1726.3 secs Computing kpt #: 182 total cpu time spent up to now is 1734.9 secs Computing kpt #: 183 total cpu time spent up to now is 1743.3 secs Computing kpt #: 184 total cpu time spent up to now is 1751.6 secs Computing kpt #: 185 total cpu time spent up to now is 1759.8 secs Computing kpt #: 186 total cpu time spent up to now is 1768.1 secs Computing kpt #: 187 total cpu time spent up to now is 1776.8 secs Computing kpt #: 188 total cpu time spent up to now is 1785.3 secs Computing kpt #: 189 total cpu time spent up to now is 1794.0 secs Computing kpt #: 190 total cpu time spent up to now is 1803.1 secs Computing kpt #: 191 total cpu time spent up to now is 1811.9 secs Computing kpt #: 192 total cpu time spent up to now is 1821.2 secs Computing kpt #: 193 total cpu time spent up to now is 1830.0 secs Computing kpt #: 194 total cpu time spent up to now is 1840.3 secs Computing kpt #: 195 total cpu time spent up to now is 1849.4 secs Computing kpt #: 196 total cpu time spent up to now is 1858.6 secs Computing kpt #: 197 total cpu time spent up to now is 1867.7 secs Computing kpt #: 198 total cpu time spent up to now is 1877.0 secs Computing kpt #: 199 total cpu time spent up to now is 1886.1 secs Computing kpt #: 200 total cpu time spent up to now is 1895.4 secs Computing kpt #: 201 total cpu time spent up to now is 1904.6 secs Computing kpt #: 202 total cpu time spent up to now is 1913.8 secs Computing kpt #: 203 total cpu time spent up to now is 1923.0 secs Computing kpt #: 204 total cpu time spent up to now is 1932.4 secs Computing kpt #: 205 total cpu time spent up to now is 1941.5 secs Computing kpt #: 206 total cpu time spent up to now is 1950.5 secs Computing kpt #: 207 total cpu time spent up to now is 1960.2 secs Computing kpt #: 208 total cpu time spent up to now is 1970.5 secs Computing kpt #: 209 total cpu time spent up to now is 1981.5 secs Computing kpt #: 210 total cpu time spent up to now is 1994.3 secs Computing kpt #: 211 total cpu time spent up to now is 2006.8 secs Computing kpt #: 212 total cpu time spent up to now is 2017.0 secs Computing kpt #: 213 total cpu time spent up to now is 2025.4 secs Computing kpt #: 214 total cpu time spent up to now is 2034.0 secs Computing kpt #: 215 total cpu time spent up to now is 2042.5 secs Computing kpt #: 216 total cpu time spent up to now is 2051.0 secs Computing kpt #: 217 total cpu time spent up to now is 2059.9 secs Computing kpt #: 218 total cpu time spent up to now is 2068.7 secs Computing kpt #: 219 total cpu time spent up to now is 2077.4 secs Computing kpt #: 220 total cpu time spent up to now is 2086.3 secs Computing kpt #: 221 total cpu time spent up to now is 2095.1 secs Computing kpt #: 222 total cpu time spent up to now is 2104.1 secs Computing kpt #: 223 total cpu time spent up to now is 2113.0 secs Computing kpt #: 224 total cpu time spent up to now is 2121.9 secs Computing kpt #: 225 total cpu time spent up to now is 2135.3 secs Computing kpt #: 226 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2152.6 secs Computing kpt #: 227 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2168.1 secs Computing kpt #: 228 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2183.2 secs Computing kpt #: 229 total cpu time spent up to now is 2195.7 secs Computing kpt #: 230 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2210.9 secs Computing kpt #: 231 total cpu time spent up to now is 2222.9 secs Computing kpt #: 232 total cpu time spent up to now is 2234.9 secs Computing kpt #: 233 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2250.2 secs Computing kpt #: 234 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2265.4 secs Computing kpt #: 235 total cpu time spent up to now is 2276.6 secs Computing kpt #: 236 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2292.5 secs Computing kpt #: 237 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2307.8 secs Computing kpt #: 238 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2323.7 secs Computing kpt #: 239 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2339.6 secs Computing kpt #: 240 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2355.0 secs Computing kpt #: 241 total cpu time spent up to now is 2367.9 secs Computing kpt #: 242 total cpu time spent up to now is 2380.7 secs Computing kpt #: 243 total cpu time spent up to now is 2394.0 secs Computing kpt #: 244 total cpu time spent up to now is 2405.9 secs Computing kpt #: 245 total cpu time spent up to now is 2417.5 secs Computing kpt #: 246 total cpu time spent up to now is 2428.7 secs Computing kpt #: 247 total cpu time spent up to now is 2442.4 secs Computing kpt #: 248 total cpu time spent up to now is 2454.1 secs Computing kpt #: 249 total cpu time spent up to now is 2465.5 secs Computing kpt #: 250 total cpu time spent up to now is 2475.4 secs Computing kpt #: 251 total cpu time spent up to now is 2486.4 secs Computing kpt #: 252 total cpu time spent up to now is 2497.6 secs Computing kpt #: 253 total cpu time spent up to now is 2507.8 secs Computing kpt #: 254 total cpu time spent up to now is 2517.2 secs Computing kpt #: 255 total cpu time spent up to now is 2527.2 secs Computing kpt #: 256 total cpu time spent up to now is 2536.7 secs Computing kpt #: 257 total cpu time spent up to now is 2546.0 secs Computing kpt #: 258 total cpu time spent up to now is 2555.6 secs Computing kpt #: 259 total cpu time spent up to now is 2564.7 secs Computing kpt #: 260 total cpu time spent up to now is 2574.4 secs Computing kpt #: 261 total cpu time spent up to now is 2583.5 secs Computing kpt #: 262 total cpu time spent up to now is 2593.6 secs ethr = 1.28E-11, avg # of iterations = 48.8 total cpu time spent up to now is 2593.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6779 PWs) bands (ev): -31.3575 -31.3575 -31.3443 -31.3443 -31.3443 -31.3443 -12.6768 -12.6768 -12.6671 -12.6671 -12.6172 -12.6172 -12.3283 -12.3283 -12.3192 -12.3192 -12.2665 -12.2665 -12.2501 -12.2501 -12.2376 -12.2376 -12.2121 -12.2121 -1.8009 -1.8009 -1.0926 -1.0926 -0.7065 -0.7065 3.8278 3.8278 4.0245 4.0245 4.1782 4.1782 4.2970 4.2970 4.3323 4.3323 4.4230 4.4230 4.6968 4.6968 4.7208 4.7208 4.7945 4.7945 4.9741 4.9741 5.0497 5.0497 5.0517 5.0517 5.2035 5.2035 5.2202 5.2202 5.5721 5.5721 5.6311 5.6311 5.9223 5.9223 6.4933 6.4933 6.5218 6.5218 8.0443 8.0443 8.2568 8.2568 9.0957 9.0957 9.2709 9.2709 9.3814 9.3814 10.0727 10.0727 10.6156 10.6156 11.4392 11.4392 11.4817 11.4817 11.7676 11.7676 11.7740 11.7740 12.6103 12.6103 13.1080 13.1080 k = 0.0192 0.0111-0.0000 ( 6789 PWs) bands (ev): -31.3575 -31.3575 -31.3443 -31.3443 -31.3443 -31.3443 -12.6768 -12.6768 -12.6671 -12.6671 -12.6173 -12.6173 -12.3282 -12.3282 -12.3192 -12.3192 -12.2665 -12.2665 -12.2502 -12.2502 -12.2376 -12.2376 -12.2122 -12.2122 -1.8001 -1.8001 -1.0928 -1.0928 -0.7071 -0.7071 3.8279 3.8279 4.0247 4.0247 4.1785 4.1785 4.2965 4.2965 4.3321 4.3321 4.4228 4.4228 4.6927 4.6934 4.7221 4.7230 4.7939 4.7940 4.9723 4.9725 5.0455 5.0456 5.0558 5.0559 5.2004 5.2010 5.2214 5.2220 5.5709 5.5720 5.6292 5.6309 5.9209 5.9218 6.4991 6.5010 6.5282 6.5298 8.0451 8.0451 8.2566 8.2566 9.0557 9.0561 9.2892 9.2905 9.4006 9.4015 10.0682 10.0682 10.6163 10.6163 11.4384 11.4385 11.4809 11.4810 11.7709 11.7711 11.7783 11.7784 12.6141 12.6141 13.0669 13.0675 k = 0.0385 0.0222-0.0000 ( 6789 PWs) bands (ev): -31.3575 -31.3575 -31.3443 -31.3443 -31.3443 -31.3443 -12.6767 -12.6767 -12.6670 -12.6670 -12.6174 -12.6174 -12.3281 -12.3281 -12.3191 -12.3190 -12.2665 -12.2665 -12.2503 -12.2502 -12.2377 -12.2377 -12.2124 -12.2124 -1.7978 -1.7978 -1.0933 -1.0933 -0.7090 -0.7090 3.8283 3.8283 4.0253 4.0254 4.1792 4.1792 4.2949 4.2949 4.3316 4.3319 4.4223 4.4224 4.6821 4.6858 4.7228 4.7277 4.7920 4.7933 4.9669 4.9678 5.0405 5.0413 5.0607 5.0611 5.1929 5.1958 5.2230 5.2265 5.5653 5.5729 5.6216 5.6339 5.9159 5.9223 6.5136 6.5258 6.5452 6.5556 8.0472 8.0472 8.2561 8.2561 8.9746 8.9762 9.3028 9.3079 9.4608 9.4643 10.0550 10.0550 10.6184 10.6185 11.4352 11.4359 11.4790 11.4798 11.7782 11.7786 11.7942 11.7945 12.6251 12.6254 13.0073 13.0092 k = 0.0577 0.0333-0.0000 ( 6791 PWs) bands (ev): -31.3574 -31.3574 -31.3444 -31.3444 -31.3443 -31.3443 -12.6765 -12.6765 -12.6669 -12.6669 -12.6176 -12.6176 -12.3279 -12.3279 -12.3189 -12.3188 -12.2665 -12.2665 -12.2504 -12.2504 -12.2378 -12.2378 -12.2128 -12.2128 -1.7939 -1.7939 -1.0943 -1.0943 -0.7120 -0.7120 3.8290 3.8290 4.0261 4.0264 4.1804 4.1805 4.2923 4.2923 4.3307 4.3315 4.4216 4.4218 4.6675 4.6764 4.7198 4.7327 4.7888 4.7929 4.9578 4.9608 5.0358 5.0377 5.0654 5.0661 5.1834 5.1897 5.2238 5.2319 5.5542 5.5753 5.6070 5.6416 5.9074 5.9255 6.5360 6.5677 6.5708 6.5977 8.0508 8.0509 8.2553 8.2553 8.8825 8.8856 9.3014 9.3102 9.5444 9.5501 10.0337 10.0338 10.6220 10.6221 11.4279 11.4299 11.4778 11.4800 11.7888 11.7894 11.8218 11.8223 12.6430 12.6440 12.9451 12.9485 k = 0.0769 0.0444-0.0000 ( 6795 PWs) bands (ev): -31.3573 -31.3573 -31.3445 -31.3445 -31.3443 -31.3443 -12.6763 -12.6762 -12.6668 -12.6667 -12.6179 -12.6179 -12.3277 -12.3276 -12.3187 -12.3186 -12.2665 -12.2665 -12.2506 -12.2506 -12.2379 -12.2378 -12.2133 -12.2133 -1.7885 -1.7885 -1.0957 -1.0957 -0.7163 -0.7163 3.8299 3.8300 4.0269 4.0276 4.1823 4.1824 4.2886 4.2886 4.3293 4.3310 4.4205 4.4210 4.6500 4.6659 4.7117 4.7369 4.7843 4.7936 4.9455 4.9519 5.0313 5.0349 5.0698 5.0707 5.1736 5.1832 5.2240 5.2376 5.5397 5.5789 5.5864 5.6516 5.8976 5.9320 6.5671 6.6036 6.6247 6.6526 8.0558 8.0559 8.2541 8.2542 8.7872 8.7919 9.2932 9.3051 9.6355 9.6428 10.0053 10.0057 10.6270 10.6272 11.4153 11.4187 11.4793 11.4830 11.8033 11.8040 11.8597 11.8602 12.6668 12.6696 12.8823 12.8879 k = 0.0962 0.0555-0.0000 ( 6799 PWs) bands (ev): -31.3572 -31.3572 -31.3445 -31.3445 -31.3443 -31.3443 -12.6760 -12.6759 -12.6666 -12.6665 -12.6182 -12.6182 -12.3273 -12.3272 -12.3184 -12.3182 -12.2665 -12.2664 -12.2508 -12.2508 -12.2380 -12.2379 -12.2140 -12.2138 -1.7817 -1.7816 -1.0974 -1.0974 -0.7217 -0.7217 3.8310 3.8312 4.0275 4.0289 4.1850 4.1851 4.2838 4.2838 4.3273 4.3304 4.4193 4.4202 4.6301 4.6543 4.6989 4.7400 4.7787 4.7954 4.9309 4.9418 5.0271 5.0330 5.0739 5.0749 5.1643 5.1768 5.2241 5.2436 5.5238 5.5618 5.5827 5.6599 5.8903 5.9416 6.6067 6.6426 6.6942 6.7177 8.0622 8.0623 8.2527 8.2528 8.6912 8.6976 9.2807 9.2957 9.7279 9.7361 9.9715 9.9729 10.6331 10.6336 11.3979 11.4023 11.4839 11.4889 11.8216 11.8225 11.9065 11.9071 12.6938 12.7016 12.8197 12.8306 k = 0.1154 0.0666-0.0000 ( 6795 PWs) bands (ev): -31.3571 -31.3571 -31.3447 -31.3447 -31.3443 -31.3443 -12.6757 -12.6755 -12.6664 -12.6662 -12.6187 -12.6186 -12.3270 -12.3268 -12.3180 -12.3177 -12.2665 -12.2664 -12.2511 -12.2511 -12.2382 -12.2379 -12.2148 -12.2145 -1.7733 -1.7733 -1.0995 -1.0995 -0.7282 -0.7282 3.8324 3.8326 4.0276 4.0300 4.1884 4.1885 4.2780 4.2782 4.3246 4.3296 4.4177 4.4194 4.6082 4.6404 4.6832 4.7417 4.7724 4.7979 4.9154 4.9311 5.0234 5.0317 5.0780 5.0787 5.1560 5.1706 5.2246 5.2497 5.5075 5.5350 5.5860 5.6625 5.8897 5.9540 6.6538 6.6871 6.7735 6.7914 8.0699 8.0700 8.2512 8.2513 8.5957 8.6039 9.2648 9.2828 9.8151 9.8215 9.9377 9.9427 10.6403 10.6412 11.3765 11.3814 11.4915 11.4971 11.8438 11.8449 11.9612 11.9618 12.7107 12.7377 12.7601 12.7899 k = 0.1346 0.0777-0.0000 ( 6799 PWs) bands (ev): -31.3570 -31.3570 -31.3448 -31.3448 -31.3443 -31.3443 -12.6753 -12.6751 -12.6661 -12.6658 -12.6192 -12.6191 -12.3266 -12.3263 -12.3176 -12.3170 -12.2665 -12.2663 -12.2515 -12.2515 -12.2384 -12.2380 -12.2157 -12.2154 -1.7636 -1.7636 -1.1020 -1.1019 -0.7359 -0.7359 3.8339 3.8342 4.0271 4.0307 4.1923 4.1924 4.2711 4.2720 4.3212 4.3287 4.4161 4.4187 4.5852 4.6220 4.6680 4.7415 4.7659 4.8008 4.8998 4.9202 5.0203 5.0308 5.0820 5.0821 5.1485 5.1646 5.2257 5.2558 5.4916 5.5073 5.5881 5.6570 5.8985 5.9693 6.7074 6.7364 6.8607 6.8721 8.0787 8.0790 8.2495 8.2497 8.5012 8.5115 9.2458 9.2667 9.8525 9.8556 9.9450 9.9614 10.6484 10.6498 11.3519 11.3570 11.5014 11.5072 11.8698 11.8710 12.0227 12.0232 12.6816 12.6965 12.7847 12.8019 k = 0.1538 0.0888-0.0000 ( 6805 PWs) bands (ev): -31.3568 -31.3568 -31.3449 -31.3449 -31.3443 -31.3443 -12.6749 -12.6746 -12.6658 -12.6653 -12.6197 -12.6197 -12.3262 -12.3258 -12.3170 -12.3163 -12.2665 -12.2663 -12.2519 -12.2519 -12.2387 -12.2381 -12.2168 -12.2162 -1.7526 -1.7526 -1.1048 -1.1047 -0.7446 -0.7445 3.8356 3.8360 4.0258 4.0310 4.1959 4.1969 4.2632 4.2658 4.3170 4.3274 4.4143 4.4184 4.5616 4.5976 4.6560 4.7391 4.7602 4.8035 4.8851 4.9097 5.0180 5.0303 5.0851 5.0860 5.1420 5.1588 5.2274 5.2620 5.4761 5.4796 5.5885 5.6435 5.9167 5.9876 6.7662 6.7900 6.9539 6.9585 8.0887 8.0891 8.2477 8.2480 8.4085 8.4211 9.2238 9.2474 9.8176 9.8211 10.0221 10.0405 10.6569 10.6591 11.3248 11.3298 11.5131 11.5187 11.8995 11.9008 12.0898 12.0904 12.6302 12.6385 12.8331 12.8427 k = 0.1731 0.0999-0.0000 ( 6797 PWs) bands (ev): -31.3567 -31.3567 -31.3451 -31.3451 -31.3443 -31.3443 -12.6745 -12.6741 -12.6653 -12.6648 -12.6204 -12.6203 -12.3257 -12.3252 -12.3164 -12.3153 -12.2666 -12.2662 -12.2524 -12.2524 -12.2390 -12.2382 -12.2179 -12.2171 -1.7403 -1.7403 -1.1080 -1.1079 -0.7542 -0.7542 3.8373 3.8379 4.0238 4.0307 4.1981 4.2012 4.2547 4.2608 4.3120 4.3256 4.4124 4.4187 4.5387 4.5684 4.6476 4.7344 4.7557 4.8060 4.8718 4.8999 5.0166 5.0299 5.0878 5.0900 5.1362 5.1531 5.2299 5.2683 5.4524 5.4612 5.5871 5.6241 5.9425 6.0090 6.8293 6.8472 7.0495 7.0516 8.0994 8.1001 8.2457 8.2458 8.3188 8.3337 9.1988 9.2250 9.7695 9.7725 10.1081 10.1277 10.6654 10.6688 11.2961 11.3007 11.5262 11.5311 11.9328 11.9342 12.1617 12.1622 12.5771 12.5831 12.8602 12.8716 k = 0.1923 0.1110-0.0000 ( 6799 PWs) bands (ev): -31.3565 -31.3565 -31.3453 -31.3453 -31.3443 -31.3443 -12.6741 -12.6736 -12.6649 -12.6642 -12.6211 -12.6209 -12.3253 -12.3246 -12.3157 -12.3143 -12.2667 -12.2661 -12.2529 -12.2529 -12.2394 -12.2382 -12.2191 -12.2181 -1.7268 -1.7268 -1.1115 -1.1114 -0.7648 -0.7647 3.8391 3.8399 4.0210 4.0298 4.1970 4.2041 4.2460 4.2586 4.3061 4.3230 4.4102 4.4197 4.5179 4.5368 4.6419 4.7280 4.7521 4.8079 4.8601 4.8909 5.0159 5.0294 5.0902 5.0940 5.1310 5.1474 5.2329 5.2744 5.4260 5.4468 5.5839 5.6010 5.9738 6.0335 6.8958 6.9078 7.1435 7.1527 8.1102 8.1115 8.2226 8.2348 8.2537 8.2591 9.1707 9.1995 9.7174 9.7202 10.1929 10.2137 10.6732 10.6783 11.2665 11.2706 11.5400 11.5437 11.9695 11.9710 12.2374 12.2378 12.5266 12.5313 12.7937 12.8043 k = 0.2115 0.1221-0.0000 ( 6797 PWs) bands (ev): -31.3563 -31.3563 -31.3455 -31.3455 -31.3443 -31.3443 -12.6737 -12.6730 -12.6643 -12.6635 -12.6219 -12.6217 -12.3249 -12.3240 -12.3149 -12.3131 -12.2668 -12.2661 -12.2534 -12.2534 -12.2398 -12.2384 -12.2204 -12.2191 -1.7123 -1.7122 -1.1153 -1.1152 -0.7761 -0.7760 3.8409 3.8418 4.0177 4.0284 4.1914 4.2041 4.2381 4.2598 4.2995 4.3194 4.4074 4.4218 4.5010 4.5048 4.6382 4.7213 4.7488 4.8089 4.8504 4.8828 5.0161 5.0289 5.0923 5.0975 5.1266 5.1418 5.2364 5.2803 5.4005 5.4329 5.5761 5.5791 6.0088 6.0609 6.9649 6.9709 7.2390 7.2557 8.1154 8.1214 8.1484 8.1666 8.2489 8.2496 9.1397 9.1709 9.6634 9.6661 10.2745 10.2963 10.6794 10.6867 11.2369 11.2407 11.5535 11.5555 12.0094 12.0111 12.3160 12.3164 12.4805 12.4842 12.7263 12.7361 k = 0.2308 0.1332-0.0000 ( 6801 PWs) bands (ev): -31.3561 -31.3561 -31.3457 -31.3457 -31.3443 -31.3443 -12.6733 -12.6725 -12.6637 -12.6627 -12.6227 -12.6225 -12.3245 -12.3234 -12.3140 -12.3118 -12.2671 -12.2661 -12.2540 -12.2540 -12.2402 -12.2385 -12.2218 -12.2201 -1.6967 -1.6967 -1.1195 -1.1194 -0.7881 -0.7880 3.8427 3.8438 4.0140 4.0267 4.1819 4.1993 4.2321 4.2627 4.2928 4.3148 4.4034 4.4253 4.4741 4.4896 4.6361 4.7151 4.7455 4.8084 4.8431 4.8757 5.0169 5.0282 5.0940 5.0999 5.1236 5.1362 5.2402 5.2858 5.3759 5.4194 5.5505 5.5728 6.0466 6.0910 7.0358 7.0362 7.3336 7.3589 8.0565 8.0860 8.1383 8.1398 8.2498 8.2511 9.1057 9.1392 9.6084 9.6110 10.3522 10.3744 10.6827 10.6929 11.2088 11.2122 11.5656 11.5657 12.0524 12.0543 12.3957 12.3959 12.4419 12.4438 12.6600 12.6691 k = 0.2500 0.1443-0.0000 ( 6811 PWs) bands (ev): -31.3558 -31.3558 -31.3460 -31.3460 -31.3443 -31.3443 -12.6729 -12.6720 -12.6630 -12.6617 -12.6236 -12.6234 -12.3242 -12.3229 -12.3129 -12.3103 -12.2675 -12.2661 -12.2546 -12.2545 -12.2407 -12.2387 -12.2231 -12.2211 -1.6804 -1.6803 -1.1240 -1.1239 -0.8007 -0.8005 3.8444 3.8456 4.0100 4.0247 4.1698 4.1899 4.2270 4.2626 4.2886 4.3093 4.3981 4.4290 4.4473 4.4849 4.6353 4.7098 4.7421 4.8062 4.8384 4.8693 5.0183 5.0273 5.0947 5.0998 5.1229 5.1311 5.2442 5.2909 5.3523 5.4064 5.5253 5.5655 6.0863 6.1237 7.1028 7.1076 7.4235 7.4597 7.9836 8.0224 8.1477 8.1492 8.2536 8.2552 9.0687 9.1046 9.5533 9.5558 10.4253 10.4469 10.6815 10.6957 11.1837 11.1869 11.5727 11.5753 12.0983 12.1003 12.4047 12.4062 12.4814 12.4826 12.5965 12.6050 k = 0.2692 0.1554-0.0000 ( 6795 PWs) bands (ev): -31.3556 -31.3556 -31.3462 -31.3462 -31.3443 -31.3443 -12.6725 -12.6715 -12.6621 -12.6608 -12.6246 -12.6243 -12.3238 -12.3224 -12.3118 -12.3087 -12.2680 -12.2662 -12.2551 -12.2549 -12.2412 -12.2389 -12.2244 -12.2220 -1.6633 -1.6632 -1.1289 -1.1287 -0.8136 -0.8134 3.8461 3.8474 4.0061 4.0227 4.1561 4.1776 4.2206 4.2552 4.2897 4.3039 4.3920 4.4173 4.4416 4.4866 4.6358 4.7061 4.7387 4.8024 4.8363 4.8637 5.0200 5.0261 5.0941 5.0971 5.1247 5.1270 5.2483 5.2951 5.3300 5.3937 5.5012 5.5573 6.1276 6.1585 7.1696 7.1793 7.5020 7.5524 7.9221 7.9735 8.1563 8.1581 8.2605 8.2624 9.0289 9.0670 9.4984 9.5008 10.4933 10.5125 10.6742 10.6942 11.1634 11.1665 11.5754 11.5808 12.1468 12.1490 12.3800 12.3811 12.5370 12.5457 12.5645 12.5660 k = 0.2885 0.1665-0.0000 ( 6804 PWs) bands (ev): -31.3553 -31.3553 -31.3465 -31.3465 -31.3443 -31.3443 -12.6722 -12.6711 -12.6612 -12.6597 -12.6256 -12.6252 -12.3235 -12.3219 -12.3105 -12.3070 -12.2687 -12.2664 -12.2556 -12.2553 -12.2418 -12.2392 -12.2256 -12.2229 -1.6457 -1.6456 -1.1341 -1.1339 -0.8267 -0.8265 3.8475 3.8489 4.0024 4.0207 4.1415 4.1639 4.2114 4.2420 4.2936 4.2992 4.3857 4.3973 4.4505 4.4931 4.6372 4.7039 4.7352 4.7977 4.8359 4.8586 5.0219 5.0245 5.0915 5.0926 5.1245 5.1281 5.2523 5.2982 5.3089 5.3810 5.4792 5.5485 6.1699 6.1952 7.2349 7.2488 7.5575 7.6218 7.8885 7.9529 8.1630 8.1650 8.2710 8.2729 8.9863 9.0267 9.4443 9.4466 10.5551 10.5674 10.6602 10.6898 11.1496 11.1525 11.5728 11.5811 12.1976 12.2000 12.3615 12.3664 12.4839 12.4931 12.6482 12.6497 k = 0.3077 0.1776-0.0000 ( 6806 PWs) bands (ev): -31.3550 -31.3550 -31.3467 -31.3467 -31.3443 -31.3443 -12.6719 -12.6708 -12.6602 -12.6586 -12.6267 -12.6263 -12.3231 -12.3216 -12.3091 -12.3052 -12.2696 -12.2667 -12.2560 -12.2555 -12.2424 -12.2395 -12.2268 -12.2238 -1.6277 -1.6277 -1.1396 -1.1394 -0.8398 -0.8396 3.8488 3.8502 3.9991 4.0189 4.1266 4.1494 4.1996 4.2258 4.2955 4.2975 4.3800 4.3807 4.4624 4.5029 4.6396 4.7034 4.7320 4.7932 4.8364 4.8541 5.0223 5.0236 5.0867 5.0873 5.1238 5.1320 5.2561 5.2895 5.2998 5.3683 5.4602 5.5394 6.2130 6.2334 7.2951 7.3121 7.5810 7.6438 7.9093 7.9724 8.1677 8.1698 8.2850 8.2868 8.9412 8.9838 9.3914 9.3935 10.5990 10.6012 10.6479 10.6940 11.1432 11.1456 11.5643 11.5754 12.2504 12.2531 12.3499 12.3609 12.4380 12.4499 12.7315 12.7333 k = 0.3269 0.1887-0.0000 ( 6822 PWs) bands (ev): -31.3548 -31.3548 -31.3470 -31.3470 -31.3443 -31.3443 -12.6716 -12.6705 -12.6591 -12.6575 -12.6279 -12.6273 -12.3228 -12.3213 -12.3076 -12.3034 -12.2707 -12.2673 -12.2563 -12.2557 -12.2430 -12.2401 -12.2278 -12.2247 -1.6097 -1.6096 -1.1455 -1.1452 -0.8527 -0.8525 3.8499 3.8512 3.9963 4.0175 4.1118 4.1347 4.1860 4.2080 4.2929 4.3002 4.3679 4.3747 4.4761 4.5147 4.6426 4.7044 4.7296 4.7892 4.8374 4.8501 5.0191 5.0245 5.0806 5.0819 5.1244 5.1359 5.2591 5.2723 5.2993 5.3553 5.4451 5.5300 6.2567 6.2729 7.3428 7.3594 7.5856 7.6318 7.9771 8.0271 8.1709 8.1732 8.3019 8.3033 8.8937 8.9387 9.3403 9.3421 10.5897 10.5920 10.6800 10.7223 11.1438 11.1455 11.5504 11.5637 12.3042 12.3079 12.3410 12.3615 12.4036 12.4210 12.8132 12.8155 k = 0.3462 0.1999-0.0000 ( 6818 PWs) bands (ev): -31.3545 -31.3545 -31.3473 -31.3473 -31.3443 -31.3443 -12.6714 -12.6703 -12.6580 -12.6563 -12.6290 -12.6284 -12.3225 -12.3210 -12.3060 -12.3015 -12.2719 -12.2680 -12.2564 -12.2557 -12.2436 -12.2407 -12.2286 -12.2254 -1.5918 -1.5917 -1.1516 -1.1513 -0.8652 -0.8649 3.8508 3.8520 3.9943 4.0165 4.0974 4.1203 4.1718 4.1898 4.2910 4.3015 4.3586 4.3700 4.4910 4.5271 4.6461 4.7059 4.7291 4.7863 4.8385 4.8464 5.0147 5.0237 5.0746 5.0769 5.1258 5.1395 5.2538 5.2652 5.2964 5.3422 5.4346 5.5206 6.3005 6.3133 7.3641 7.3742 7.6026 7.6280 8.0609 8.0987 8.1741 8.1778 8.3210 8.3219 8.8445 8.8920 9.2914 9.2929 10.5517 10.5606 10.7267 10.7619 11.1500 11.1508 11.5318 11.5467 12.3281 12.3442 12.3644 12.3680 12.3949 12.4120 12.8921 12.8952 k = 0.3654 0.2110-0.0000 ( 6824 PWs) bands (ev): -31.3542 -31.3542 -31.3475 -31.3475 -31.3444 -31.3444 -12.6711 -12.6701 -12.6568 -12.6551 -12.6301 -12.6295 -12.3222 -12.3208 -12.3043 -12.2996 -12.2733 -12.2689 -12.2565 -12.2556 -12.2442 -12.2414 -12.2292 -12.2262 -1.5743 -1.5743 -1.1579 -1.1576 -0.8769 -0.8767 3.8515 3.8525 3.9931 4.0161 4.0836 4.1063 4.1578 4.1722 4.2896 4.3016 4.3521 4.3657 4.5063 4.5392 4.6501 4.7063 4.7324 4.7846 4.8398 4.8431 5.0086 5.0198 5.0702 5.0728 5.1275 5.1425 5.2409 5.2677 5.2906 5.3296 5.4285 5.5112 6.3442 6.3540 7.3511 7.3535 7.6459 7.6538 8.1374 8.1544 8.1859 8.2040 8.3415 8.3416 8.7941 8.8444 9.2452 9.2463 10.5065 10.5185 10.7712 10.8017 11.1596 11.1598 11.5100 11.5257 12.3137 12.3313 12.4073 12.4151 12.4221 12.4259 12.8797 12.9087 k = 0.3846 0.2221-0.0000 ( 6826 PWs) bands (ev): -31.3540 -31.3540 -31.3478 -31.3478 -31.3444 -31.3444 -12.6709 -12.6700 -12.6555 -12.6540 -12.6313 -12.6306 -12.3220 -12.3207 -12.3025 -12.2976 -12.2747 -12.2701 -12.2563 -12.2555 -12.2449 -12.2422 -12.2297 -12.2268 -1.5577 -1.5577 -1.1643 -1.1641 -0.8876 -0.8874 3.8520 3.8528 3.9928 4.0164 4.0705 4.0931 4.1448 4.1559 4.2887 4.3006 4.3478 4.3618 4.5213 4.5502 4.6545 4.7047 4.7401 4.7843 4.8400 4.8411 5.0007 5.0123 5.0682 5.0699 5.1293 5.1450 5.2298 5.2706 5.2817 5.3188 5.4263 5.5020 6.3870 6.3944 7.3139 7.3150 7.7019 7.7043 8.1622 8.1645 8.2445 8.2740 8.3615 8.3630 8.7438 8.7972 9.2023 9.2031 10.4581 10.4713 10.8122 10.8388 11.1701 11.1711 11.4864 11.5022 12.3032 12.3197 12.4298 12.4344 12.4780 12.4802 12.8100 12.8404 k = 0.4038 0.2332-0.0000 ( 6830 PWs) bands (ev): -31.3537 -31.3537 -31.3480 -31.3480 -31.3444 -31.3444 -12.6707 -12.6699 -12.6543 -12.6529 -12.6324 -12.6317 -12.3217 -12.3206 -12.3007 -12.2958 -12.2762 -12.2714 -12.2561 -12.2553 -12.2454 -12.2430 -12.2300 -12.2274 -1.5424 -1.5423 -1.1706 -1.1703 -0.8972 -0.8970 3.8523 3.8529 3.9936 4.0174 4.0584 4.0808 4.1331 4.1414 4.2880 4.2989 4.3453 4.3583 4.5353 4.5595 4.6590 4.7017 4.7513 4.7856 4.8373 4.8424 4.9911 5.0017 5.0682 5.0683 5.1312 5.1466 5.2212 5.2703 5.2734 5.3103 5.4270 5.4930 6.4282 6.4336 7.2682 7.2702 7.7593 7.7670 8.1651 8.1657 8.3157 8.3441 8.3808 8.3861 8.6956 8.7523 9.1636 9.1641 10.4097 10.4227 10.8493 10.8722 11.1808 11.1823 11.4627 11.4778 12.3003 12.3165 12.4529 12.4533 12.5342 12.5370 12.7433 12.7745 k = 0.4231 0.2443-0.0000 ( 6826 PWs) bands (ev): -31.3535 -31.3535 -31.3482 -31.3482 -31.3444 -31.3444 -12.6705 -12.6698 -12.6532 -12.6519 -12.6334 -12.6328 -12.3214 -12.3205 -12.2989 -12.2941 -12.2775 -12.2729 -12.2558 -12.2551 -12.2459 -12.2438 -12.2301 -12.2280 -1.5287 -1.5287 -1.1765 -1.1763 -0.9053 -0.9051 3.8525 3.8528 3.9954 4.0192 4.0473 4.0696 4.1231 4.1291 4.2877 4.2969 4.3440 4.3552 4.5477 4.5668 4.6637 4.6981 4.7647 4.7883 4.8349 4.8435 4.9805 4.9894 5.0678 5.0694 5.1332 5.1475 5.2154 5.2579 5.2761 5.3037 5.4298 5.4842 6.4667 6.4705 7.2230 7.2250 7.8182 7.8282 8.1655 8.1656 8.3753 8.3903 8.3988 8.4207 8.6537 8.7130 9.1297 9.1299 10.3643 10.3761 10.8820 10.9012 11.1906 11.1921 11.4404 11.4539 12.3061 12.3225 12.4700 12.4732 12.5878 12.5921 12.6831 12.7138 k = 0.4423 0.2554-0.0000 ( 6830 PWs) bands (ev): -31.3533 -31.3533 -31.3484 -31.3484 -31.3444 -31.3444 -12.6703 -12.6698 -12.6521 -12.6510 -12.6343 -12.6337 -12.3212 -12.3205 -12.2971 -12.2928 -12.2787 -12.2744 -12.2555 -12.2549 -12.2462 -12.2446 -12.2301 -12.2285 -1.5173 -1.5173 -1.1817 -1.1815 -0.9118 -0.9117 3.8526 3.8528 3.9982 4.0218 4.0371 4.0594 4.1152 4.1192 4.2876 4.2948 4.3436 4.3524 4.5581 4.5721 4.6683 4.6941 4.7786 4.7921 4.8329 4.8441 4.9697 4.9769 5.0681 5.0706 5.1353 5.1474 5.2122 5.2457 5.2786 5.2983 5.4341 5.4758 6.5006 6.5032 7.1825 7.1840 7.8735 7.8836 8.1653 8.1655 8.4114 8.4124 8.4187 8.4564 8.6269 8.6836 9.1018 9.1018 10.3249 10.3347 10.9099 10.9250 11.1986 11.1999 11.4212 11.4323 12.3208 12.3375 12.4794 12.4847 12.6180 12.6411 12.6530 12.6637 k = 0.4615 0.2665-0.0000 ( 6832 PWs) bands (ev): -31.3532 -31.3532 -31.3486 -31.3486 -31.3444 -31.3444 -12.6702 -12.6698 -12.6512 -12.6504 -12.6349 -12.6345 -12.3210 -12.3205 -12.2954 -12.2920 -12.2793 -12.2759 -12.2552 -12.2547 -12.2464 -12.2453 -12.2300 -12.2289 -1.5087 -1.5087 -1.1858 -1.1856 -0.9166 -0.9165 3.8525 3.8526 4.0020 4.0254 4.0281 4.0504 4.1095 4.1120 4.2880 4.2928 4.3439 4.3499 4.5662 4.5753 4.6728 4.6900 4.7911 4.7965 4.8322 4.8436 4.9604 4.9657 5.0690 5.0714 5.1376 5.1465 5.2117 5.2347 5.2812 5.2938 5.4395 5.4676 6.5279 6.5295 7.1501 7.1511 7.9203 7.9287 8.1650 8.1654 8.4247 8.4252 8.4392 8.4658 8.6245 8.6667 9.0807 9.0808 10.2947 10.3017 10.9319 10.9425 11.2046 11.2055 11.4065 11.4144 12.3440 12.3605 12.4755 12.4774 12.5940 12.6207 12.6898 12.6898 k = 0.4808 0.2776-0.0000 ( 6828 PWs) bands (ev): -31.3531 -31.3531 -31.3487 -31.3487 -31.3444 -31.3444 -12.6700 -12.6699 -12.6505 -12.6501 -12.6353 -12.6351 -12.3209 -12.3206 -12.2938 -12.2919 -12.2793 -12.2774 -12.2549 -12.2547 -12.2465 -12.2459 -12.2298 -12.2293 -1.5033 -1.5033 -1.1884 -1.1883 -0.9195 -0.9194 3.8525 3.8526 4.0070 4.0200 4.0301 4.0425 4.1063 4.1074 4.2887 4.2911 4.3447 4.3478 4.5719 4.5763 4.6772 4.6859 4.7995 4.8003 4.8336 4.8415 4.9544 4.9573 5.0701 5.0716 5.1401 5.1448 5.2139 5.2255 5.2839 5.2901 5.4457 5.4599 6.5460 6.5467 7.1290 7.1295 7.9533 7.9581 8.1649 8.1652 8.4319 8.4335 8.4460 8.4570 8.6377 8.6586 9.0676 9.0677 10.2761 10.2797 10.9470 10.9525 11.2083 11.2087 11.3978 11.4020 12.3746 12.3899 12.4486 12.4549 12.5860 12.5991 12.7212 12.7214 k = 0.5000 0.2887-0.0000 ( 6836 PWs) bands (ev): -31.3530 -31.3530 -31.3487 -31.3487 -31.3444 -31.3444 -12.6699 -12.6699 -12.6501 -12.6501 -12.6354 -12.6354 -12.3207 -12.3207 -12.2926 -12.2926 -12.2786 -12.2786 -12.2547 -12.2547 -12.2463 -12.2463 -12.2296 -12.2296 -1.5015 -1.5015 -1.1893 -1.1893 -0.9204 -0.9204 3.8525 3.8525 4.0129 4.0129 4.0358 4.0358 4.1055 4.1055 4.2897 4.2897 4.3460 4.3460 4.5752 4.5752 4.6816 4.6816 4.8020 4.8020 4.8375 4.8375 4.9532 4.9532 5.0710 5.0710 5.1426 5.1426 5.2185 5.2185 5.2868 5.2868 5.4525 5.4525 6.5525 6.5525 7.1218 7.1218 7.9669 7.9669 8.1650 8.1650 8.4353 8.4353 8.4491 8.4491 8.6506 8.6506 9.0632 9.0632 10.2709 10.2709 10.9540 10.9540 11.2096 11.2096 11.3962 11.3962 12.4102 12.4102 12.4240 12.4240 12.5891 12.5891 12.7333 12.7333 k = 0.5000 0.2887-0.0000 ( 6836 PWs) bands (ev): -31.3530 -31.3530 -31.3487 -31.3487 -31.3444 -31.3444 -12.6699 -12.6699 -12.6501 -12.6501 -12.6354 -12.6354 -12.3207 -12.3207 -12.2926 -12.2926 -12.2786 -12.2786 -12.2547 -12.2547 -12.2463 -12.2463 -12.2296 -12.2296 -1.5015 -1.5015 -1.1893 -1.1893 -0.9204 -0.9204 3.8525 3.8525 4.0129 4.0129 4.0358 4.0358 4.1055 4.1055 4.2897 4.2897 4.3460 4.3460 4.5752 4.5752 4.6816 4.6816 4.8020 4.8020 4.8375 4.8375 4.9532 4.9532 5.0710 5.0710 5.1426 5.1426 5.2185 5.2185 5.2868 5.2868 5.4525 5.4525 6.5525 6.5525 7.1218 7.1218 7.9669 7.9669 8.1650 8.1650 8.4353 8.4353 8.4491 8.4491 8.6506 8.6506 9.0632 9.0632 10.2709 10.2709 10.9540 10.9540 11.2096 11.2096 11.3962 11.3962 12.4102 12.4102 12.4240 12.4240 12.5891 12.5891 12.7333 12.7333 k = 0.4889 0.3079-0.0000 ( 6832 PWs) bands (ev): -31.3530 -31.3530 -31.3487 -31.3487 -31.3444 -31.3444 -12.6699 -12.6699 -12.6501 -12.6501 -12.6354 -12.6354 -12.3207 -12.3207 -12.2926 -12.2926 -12.2786 -12.2786 -12.2547 -12.2547 -12.2463 -12.2463 -12.2297 -12.2297 -1.5012 -1.5012 -1.1887 -1.1887 -0.9213 -0.9213 3.8526 3.8526 4.0120 4.0120 4.0344 4.0344 4.1070 4.1070 4.2900 4.2900 4.3461 4.3461 4.5712 4.5712 4.6839 4.6839 4.8018 4.8018 4.8382 4.8382 4.9533 4.9533 5.0706 5.0706 5.1424 5.1424 5.2186 5.2186 5.2875 5.2875 5.4571 5.4571 6.5504 6.5504 7.1118 7.1118 7.9767 7.9767 8.1661 8.1661 8.4350 8.4350 8.4511 8.4511 8.6524 8.6524 9.0622 9.0622 10.2700 10.2700 10.9532 10.9532 11.1868 11.1868 11.4192 11.4192 12.3930 12.3930 12.4166 12.4166 12.6096 12.6096 12.7359 12.7359 k = 0.4778 0.3272-0.0000 ( 6842 PWs) bands (ev): -31.3530 -31.3530 -31.3488 -31.3488 -31.3444 -31.3444 -12.6698 -12.6698 -12.6501 -12.6501 -12.6355 -12.6355 -12.3206 -12.3206 -12.2926 -12.2926 -12.2787 -12.2787 -12.2546 -12.2546 -12.2463 -12.2463 -12.2298 -12.2298 -1.5004 -1.5004 -1.1870 -1.1870 -0.9239 -0.9239 3.8527 3.8527 4.0086 4.0086 4.0315 4.0315 4.1106 4.1106 4.2908 4.2908 4.3462 4.3462 4.5604 4.5604 4.6899 4.6899 4.8012 4.8012 4.8402 4.8402 4.9537 4.9537 5.0695 5.0695 5.1419 5.1419 5.2188 5.2188 5.2892 5.2892 5.4709 5.4709 6.5439 6.5439 7.0832 7.0832 8.0047 8.0047 8.1694 8.1694 8.4336 8.4336 8.4571 8.4571 8.6578 8.6578 9.0591 9.0591 10.2674 10.2674 10.9507 10.9507 11.1370 11.1370 11.4694 11.4694 12.3422 12.3422 12.4122 12.4122 12.6527 12.6527 12.7438 12.7438 k = 0.4667 0.3464-0.0000 ( 6832 PWs) bands (ev): -31.3530 -31.3530 -31.3488 -31.3488 -31.3444 -31.3444 -12.6697 -12.6697 -12.6500 -12.6500 -12.6357 -12.6357 -12.3205 -12.3205 -12.2925 -12.2925 -12.2788 -12.2788 -12.2545 -12.2545 -12.2462 -12.2462 -12.2301 -12.2301 -1.4990 -1.4990 -1.1842 -1.1842 -0.9281 -0.9281 3.8531 3.8531 4.0022 4.0022 4.0291 4.0291 4.1150 4.1150 4.2922 4.2922 4.3465 4.3465 4.5452 4.5452 4.6977 4.6977 4.8002 4.8002 4.8434 4.8434 4.9543 4.9543 5.0680 5.0680 5.1412 5.1412 5.2192 5.2192 5.2912 5.2912 5.4938 5.4938 6.5334 6.5334 7.0397 7.0397 8.0467 8.0467 8.1750 8.1750 8.4310 8.4310 8.4674 8.4674 8.6672 8.6672 9.0542 9.0542 10.2628 10.2628 10.9463 10.9463 11.0795 11.0795 11.5277 11.5277 12.2802 12.2802 12.4071 12.4071 12.7000 12.7000 12.7573 12.7573 k = 0.4556 0.3657-0.0000 ( 6830 PWs) bands (ev): -31.3529 -31.3529 -31.3489 -31.3489 -31.3444 -31.3444 -12.6695 -12.6695 -12.6498 -12.6498 -12.6360 -12.6360 -12.3204 -12.3204 -12.2925 -12.2925 -12.2789 -12.2789 -12.2543 -12.2543 -12.2462 -12.2462 -12.2304 -12.2304 -1.4972 -1.4972 -1.1803 -1.1803 -0.9340 -0.9340 3.8534 3.8534 3.9930 3.9930 4.0282 4.0282 4.1190 4.1190 4.2942 4.2942 4.3469 4.3469 4.5275 4.5275 4.7057 4.7057 4.7989 4.7989 4.8476 4.8476 4.9550 4.9550 5.0662 5.0662 5.1407 5.1407 5.2197 5.2197 5.2928 5.2928 5.5257 5.5257 6.5190 6.5190 6.9855 6.9855 8.0977 8.0977 8.1830 8.1830 8.4272 8.4272 8.4814 8.4814 8.6805 8.6805 9.0474 9.0474 10.2557 10.2557 10.9395 10.9395 11.0220 11.0220 11.5872 11.5872 12.2150 12.2150 12.4005 12.4005 12.7444 12.7444 12.7770 12.7770 k = 0.4444 0.3849-0.0000 ( 6838 PWs) bands (ev): -31.3528 -31.3528 -31.3490 -31.3490 -31.3444 -31.3444 -12.6693 -12.6693 -12.6496 -12.6496 -12.6364 -12.6364 -12.3202 -12.3202 -12.2924 -12.2924 -12.2792 -12.2792 -12.2541 -12.2541 -12.2462 -12.2462 -12.2309 -12.2309 -1.4949 -1.4949 -1.1753 -1.1753 -0.9415 -0.9415 3.8539 3.8539 3.9822 3.9822 4.0283 4.0283 4.1216 4.1216 4.2970 4.2970 4.3475 4.3475 4.5089 4.5089 4.7133 4.7133 4.7972 4.7972 4.8524 4.8524 4.9559 4.9559 5.0645 5.0645 5.1402 5.1402 5.2202 5.2202 5.2935 5.2935 5.5658 5.5658 6.5011 6.5011 6.9244 6.9244 8.1517 8.1517 8.1949 8.1949 8.4223 8.4223 8.4984 8.4984 8.6983 8.6983 9.0390 9.0390 10.2458 10.2458 10.9290 10.9290 10.9683 10.9683 11.6447 11.6447 12.1502 12.1502 12.3925 12.3925 12.7817 12.7817 12.8048 12.8048 k = 0.4333 0.4041-0.0000 ( 6834 PWs) bands (ev): -31.3527 -31.3527 -31.3491 -31.3491 -31.3444 -31.3444 -12.6691 -12.6691 -12.6494 -12.6494 -12.6368 -12.6368 -12.3200 -12.3200 -12.2922 -12.2922 -12.2794 -12.2794 -12.2538 -12.2538 -12.2461 -12.2461 -12.2314 -12.2314 -1.4922 -1.4922 -1.1692 -1.1692 -0.9505 -0.9505 3.8545 3.8545 3.9708 3.9708 4.0292 4.0292 4.1225 4.1225 4.3006 4.3006 4.3484 4.3484 4.4903 4.4903 4.7203 4.7203 4.7952 4.7952 4.8576 4.8576 4.9569 4.9569 5.0629 5.0629 5.1401 5.1401 5.2208 5.2208 5.2933 5.2933 5.6133 5.6133 6.4800 6.4800 6.8591 6.8591 8.1916 8.1916 8.2239 8.2239 8.4167 8.4167 8.5175 8.5175 8.7207 8.7207 9.0292 9.0292 10.2326 10.2326 10.9073 10.9073 10.9280 10.9280 11.6987 11.6987 12.0880 12.0880 12.3836 12.3836 12.8131 12.8131 12.8384 12.8384 k = 0.4222 0.4234-0.0000 ( 6832 PWs) bands (ev): -31.3525 -31.3525 -31.3492 -31.3492 -31.3444 -31.3444 -12.6688 -12.6688 -12.6491 -12.6491 -12.6373 -12.6373 -12.3197 -12.3197 -12.2920 -12.2920 -12.2797 -12.2797 -12.2535 -12.2535 -12.2461 -12.2461 -12.2319 -12.2319 -1.4892 -1.4892 -1.1621 -1.1621 -0.9609 -0.9609 3.8552 3.8552 3.9595 3.9595 4.0307 4.0307 4.1214 4.1214 4.3046 4.3046 4.3496 4.3496 4.4723 4.4723 4.7266 4.7266 4.7931 4.7931 4.8631 4.8631 4.9580 4.9580 5.0617 5.0617 5.1401 5.1401 5.2216 5.2216 5.2922 5.2922 5.6672 5.6672 6.4561 6.4561 6.7917 6.7917 8.2093 8.2093 8.2747 8.2747 8.4107 8.4107 8.5379 8.5379 8.7480 8.7480 9.0184 9.0184 10.2159 10.2159 10.8685 10.8685 10.9075 10.9075 11.7476 11.7476 12.0305 12.0305 12.3742 12.3742 12.8446 12.8446 12.8712 12.8712 k = 0.4111 0.4426-0.0000 ( 6832 PWs) bands (ev): -31.3524 -31.3524 -31.3494 -31.3494 -31.3444 -31.3444 -12.6685 -12.6685 -12.6487 -12.6487 -12.6378 -12.6378 -12.3195 -12.3195 -12.2918 -12.2918 -12.2801 -12.2801 -12.2531 -12.2531 -12.2461 -12.2461 -12.2325 -12.2325 -1.4860 -1.4860 -1.1540 -1.1540 -0.9725 -0.9725 3.8559 3.8559 3.9487 3.9487 4.0327 4.0327 4.1184 4.1184 4.3091 4.3091 4.3512 4.3512 4.4553 4.4553 4.7323 4.7323 4.7907 4.7907 4.8686 4.8686 4.9590 4.9590 5.0607 5.0607 5.1403 5.1403 5.2224 5.2224 5.2904 5.2904 5.7265 5.7265 6.4300 6.4300 6.7239 6.7239 8.2241 8.2241 8.3241 8.3241 8.4057 8.4057 8.5583 8.5583 8.7800 8.7800 9.0068 9.0068 10.1957 10.1957 10.8325 10.8325 10.8878 10.8878 11.7905 11.7905 11.9795 11.9795 12.3651 12.3651 12.8775 12.8775 12.9015 12.9015 k = 0.4000 0.4619-0.0000 ( 6824 PWs) bands (ev): -31.3522 -31.3522 -31.3495 -31.3495 -31.3444 -31.3444 -12.6682 -12.6682 -12.6483 -12.6483 -12.6385 -12.6385 -12.3192 -12.3192 -12.2915 -12.2915 -12.2806 -12.2806 -12.2527 -12.2527 -12.2461 -12.2461 -12.2330 -12.2330 -1.4826 -1.4826 -1.1449 -1.1449 -0.9852 -0.9852 3.8566 3.8566 3.9387 3.9387 4.0353 4.0353 4.1138 4.1138 4.3137 4.3137 4.3534 4.3534 4.4397 4.4397 4.7374 4.7374 4.7883 4.7883 4.8743 4.8743 4.9599 4.9599 5.0600 5.0600 5.1405 5.1405 5.2234 5.2234 5.2881 5.2881 5.7904 5.7904 6.4021 6.4021 6.6569 6.6569 8.2393 8.2393 8.3609 8.3609 8.4086 8.4086 8.5775 8.5775 8.8156 8.8156 8.9949 8.9949 10.1729 10.1729 10.8032 10.8032 10.8655 10.8655 11.8260 11.8260 11.9364 11.9364 12.3569 12.3569 12.9094 12.9094 12.9314 12.9314 k = 0.3889 0.4811-0.0000 ( 6816 PWs) bands (ev): -31.3520 -31.3520 -31.3497 -31.3497 -31.3444 -31.3444 -12.6680 -12.6680 -12.6477 -12.6477 -12.6391 -12.6391 -12.3190 -12.3190 -12.2910 -12.2910 -12.2811 -12.2811 -12.2522 -12.2522 -12.2462 -12.2462 -12.2336 -12.2336 -1.4793 -1.4793 -1.1349 -1.1349 -0.9988 -0.9988 3.8574 3.8574 3.9298 3.9298 4.0384 4.0384 4.1078 4.1078 4.3182 4.3182 4.3560 4.3560 4.4256 4.4256 4.7420 4.7420 4.7860 4.7860 4.8798 4.8798 4.9606 4.9606 5.0595 5.0595 5.1407 5.1407 5.2244 5.2244 5.2854 5.2854 5.8579 5.8579 6.3728 6.3728 6.5914 6.5914 8.2550 8.2550 8.3699 8.3699 8.4336 8.4336 8.5939 8.5939 8.8533 8.8533 8.9831 8.9831 10.1486 10.1486 10.7807 10.7807 10.8412 10.8412 11.8532 11.8532 11.9025 11.9025 12.3506 12.3506 12.9342 12.9342 12.9668 12.9668 k = 0.3778 0.5004-0.0000 ( 6810 PWs) bands (ev): -31.3518 -31.3518 -31.3499 -31.3499 -31.3444 -31.3444 -12.6678 -12.6678 -12.6471 -12.6471 -12.6399 -12.6399 -12.3188 -12.3188 -12.2906 -12.2906 -12.2817 -12.2817 -12.2517 -12.2517 -12.2463 -12.2463 -12.2341 -12.2341 -1.4761 -1.4761 -1.1240 -1.1240 -1.0131 -1.0131 3.8582 3.8582 3.9222 3.9222 4.0419 4.0419 4.1010 4.1010 4.3221 4.3221 4.3591 4.3591 4.4130 4.4130 4.7459 4.7459 4.7837 4.7837 4.8852 4.8852 4.9610 4.9610 5.0592 5.0592 5.1409 5.1409 5.2254 5.2254 5.2826 5.2826 5.9282 5.9282 6.3427 6.3427 6.5284 6.5284 8.2708 8.2708 8.3645 8.3645 8.4675 8.4675 8.6061 8.6061 8.8906 8.8906 8.9720 8.9720 10.1247 10.1247 10.7639 10.7639 10.8165 10.8165 11.8699 11.8699 11.8799 11.8799 12.3465 12.3465 12.9515 12.9515 13.0079 13.0079 k = 0.3667 0.5196-0.0000 ( 6812 PWs) bands (ev): -31.3516 -31.3516 -31.3501 -31.3501 -31.3444 -31.3444 -12.6676 -12.6676 -12.6463 -12.6463 -12.6408 -12.6408 -12.3187 -12.3187 -12.2900 -12.2900 -12.2823 -12.2823 -12.2513 -12.2513 -12.2465 -12.2465 -12.2345 -12.2345 -1.4733 -1.4733 -1.1123 -1.1123 -1.0279 -1.0279 3.8588 3.8588 3.9160 3.9160 4.0459 4.0459 4.0938 4.0938 4.3255 4.3255 4.3626 4.3626 4.4022 4.4022 4.7492 4.7492 4.7818 4.7818 4.8902 4.8902 4.9610 4.9610 5.0589 5.0589 5.1409 5.1409 5.2263 5.2263 5.2800 5.2800 5.9999 5.9999 6.3130 6.3130 6.4685 6.4685 8.2864 8.2864 8.3560 8.3560 8.4997 8.4997 8.6128 8.6128 8.9243 8.9243 8.9623 8.9623 10.1031 10.1031 10.7514 10.7514 10.7939 10.7939 11.8614 11.8614 11.8833 11.8833 12.3447 12.3447 12.9636 12.9636 13.0521 13.0521 k = 0.3556 0.5389-0.0000 ( 6812 PWs) bands (ev): -31.3514 -31.3514 -31.3503 -31.3503 -31.3444 -31.3444 -12.6675 -12.6675 -12.6455 -12.6455 -12.6417 -12.6417 -12.3186 -12.3186 -12.2895 -12.2895 -12.2830 -12.2830 -12.2508 -12.2508 -12.2467 -12.2467 -12.2348 -12.2348 -1.4709 -1.4709 -1.0997 -1.0997 -1.0429 -1.0429 3.8593 3.8593 3.9115 3.9115 4.0502 4.0502 4.0868 4.0868 4.3280 4.3280 4.3662 4.3662 4.3935 4.3935 4.7516 4.7516 4.7803 4.7803 4.8946 4.8946 4.9606 4.9606 5.0587 5.0587 5.1409 5.1409 5.2269 5.2269 5.2779 5.2779 6.0699 6.0699 6.2858 6.2858 6.4127 6.4127 8.3013 8.3013 8.3464 8.3464 8.5287 8.5287 8.6128 8.6128 8.9506 8.9506 8.9552 8.9552 10.0859 10.0859 10.7416 10.7416 10.7769 10.7769 11.8557 11.8557 11.8848 11.8848 12.3447 12.3447 12.9717 12.9717 13.0982 13.0982 k = 0.3444 0.5581-0.0000 ( 6807 PWs) bands (ev): -31.3511 -31.3511 -31.3506 -31.3506 -31.3444 -31.3444 -12.6674 -12.6674 -12.6446 -12.6446 -12.6426 -12.6426 -12.3185 -12.3185 -12.2890 -12.2890 -12.2835 -12.2835 -12.2505 -12.2505 -12.2469 -12.2469 -12.2350 -12.2350 -1.4693 -1.4693 -1.0864 -1.0864 -1.0579 -1.0579 3.8596 3.8596 3.9087 3.9087 4.0541 4.0541 4.0811 4.0811 4.3296 4.3296 4.3691 4.3691 4.3875 4.3875 4.7531 4.7531 4.7794 4.7794 4.8977 4.8977 4.9600 4.9600 5.0586 5.0586 5.1409 5.1409 5.2272 5.2272 5.2765 5.2765 6.1290 6.1290 6.2683 6.2683 6.3631 6.3631 8.3147 8.3147 8.3363 8.3363 8.5535 8.5535 8.6059 8.6059 8.9488 8.9488 8.9693 8.9693 10.0747 10.0747 10.7341 10.7341 10.7672 10.7672 11.8582 11.8582 11.8794 11.8794 12.3455 12.3455 12.9761 12.9761 13.1455 13.1455 k = 0.3333 0.5774-0.0000 ( 6807 PWs) bands (ev): -31.3508 -31.3508 -31.3508 -31.3508 -31.3444 -31.3444 -12.6674 -12.6674 -12.6437 -12.6437 -12.6435 -12.6435 -12.3185 -12.3185 -12.2887 -12.2887 -12.2837 -12.2837 -12.2504 -12.2504 -12.2470 -12.2470 -12.2351 -12.2351 -1.4688 -1.4688 -1.0726 -1.0726 -1.0724 -1.0724 3.8597 3.8597 3.9078 3.9078 4.0559 4.0559 4.0786 4.0786 4.3301 4.3301 4.3702 4.3702 4.3854 4.3854 4.7537 4.7537 4.7791 4.7791 4.8990 4.8990 4.9596 4.9596 5.0586 5.0586 5.1409 5.1409 5.2273 5.2273 5.2760 5.2760 6.1526 6.1526 6.2710 6.2710 6.3342 6.3342 8.3256 8.3256 8.3267 8.3267 8.5672 8.5672 8.5985 8.5985 8.9469 8.9469 8.9754 8.9754 10.0708 10.0708 10.7311 10.7311 10.7642 10.7642 11.8668 11.8668 11.8698 11.8698 12.3461 12.3461 12.9775 12.9775 13.1921 13.1921 k = 0.3333 0.5774-0.0000 ( 6807 PWs) bands (ev): -31.3508 -31.3508 -31.3508 -31.3508 -31.3444 -31.3444 -12.6674 -12.6674 -12.6437 -12.6437 -12.6435 -12.6435 -12.3185 -12.3185 -12.2887 -12.2887 -12.2837 -12.2837 -12.2504 -12.2504 -12.2470 -12.2470 -12.2351 -12.2351 -1.4688 -1.4688 -1.0726 -1.0726 -1.0724 -1.0724 3.8597 3.8597 3.9078 3.9078 4.0559 4.0559 4.0786 4.0786 4.3301 4.3301 4.3702 4.3702 4.3854 4.3854 4.7537 4.7537 4.7791 4.7791 4.8990 4.8990 4.9596 4.9596 5.0586 5.0586 5.1409 5.1409 5.2273 5.2273 5.2760 5.2760 6.1526 6.1526 6.2710 6.2710 6.3342 6.3342 8.3256 8.3256 8.3267 8.3267 8.5672 8.5672 8.5985 8.5985 8.9469 8.9469 8.9754 8.9754 10.0708 10.0708 10.7311 10.7311 10.7642 10.7642 11.8668 11.8668 11.8698 11.8698 12.3461 12.3461 12.9775 12.9775 13.1921 13.1921 k = 0.3222 0.5581-0.0000 ( 6803 PWs) bands (ev): -31.3511 -31.3511 -31.3506 -31.3506 -31.3444 -31.3444 -12.6674 -12.6674 -12.6447 -12.6447 -12.6425 -12.6425 -12.3185 -12.3185 -12.2890 -12.2890 -12.2834 -12.2834 -12.2505 -12.2505 -12.2469 -12.2469 -12.2350 -12.2350 -1.4694 -1.4694 -1.0863 -1.0863 -1.0579 -1.0579 3.8596 3.8596 3.9087 3.9087 4.0540 4.0540 4.0812 4.0812 4.3296 4.3296 4.3696 4.3696 4.3869 4.3869 4.7532 4.7532 4.7793 4.7793 4.8975 4.8975 4.9602 4.9602 5.0587 5.0587 5.1409 5.1409 5.2273 5.2273 5.2765 5.2765 6.1381 6.1381 6.2494 6.2494 6.3729 6.3729 8.3160 8.3160 8.3349 8.3349 8.5510 8.5510 8.6082 8.6082 8.9489 8.9489 8.9695 8.9695 10.0748 10.0748 10.7340 10.7340 10.7674 10.7674 11.8527 11.8527 11.8850 11.8850 12.3452 12.3452 12.9763 12.9763 13.1353 13.1353 k = 0.3111 0.5389-0.0000 ( 6811 PWs) bands (ev): -31.3514 -31.3514 -31.3503 -31.3503 -31.3444 -31.3444 -12.6675 -12.6675 -12.6458 -12.6458 -12.6414 -12.6414 -12.3185 -12.3185 -12.2897 -12.2897 -12.2827 -12.2827 -12.2509 -12.2509 -12.2466 -12.2466 -12.2348 -12.2348 -1.4716 -1.4716 -1.0992 -1.0992 -1.0428 -1.0428 3.8594 3.8594 3.9115 3.9115 4.0501 4.0501 4.0875 4.0875 4.3281 4.3281 4.3692 4.3692 4.3902 4.3902 4.7517 4.7517 4.7798 4.7798 4.8927 4.8927 4.9620 4.9620 5.0589 5.0589 5.1410 5.1410 5.2275 5.2275 5.2778 5.2778 6.1100 6.1100 6.2130 6.2130 6.4451 6.4451 8.3060 8.3060 8.3403 8.3403 8.5172 8.5172 8.6218 8.6218 8.9483 8.9483 8.9596 8.9596 10.0870 10.0870 10.7398 10.7398 10.7798 10.7798 11.8338 11.8338 11.9073 11.9073 12.3423 12.3423 12.9730 12.9730 13.0681 13.0681 k = 0.3000 0.5196-0.0000 ( 6805 PWs) bands (ev): -31.3517 -31.3517 -31.3500 -31.3500 -31.3444 -31.3444 -12.6676 -12.6676 -12.6469 -12.6469 -12.6402 -12.6402 -12.3186 -12.3186 -12.2908 -12.2908 -12.2816 -12.2816 -12.2515 -12.2515 -12.2461 -12.2461 -12.2345 -12.2345 -1.4755 -1.4755 -1.1106 -1.1106 -1.0272 -1.0272 3.8590 3.8590 3.9159 3.9159 4.0460 4.0460 4.0959 4.0959 4.3259 4.3259 4.3699 4.3699 4.3941 4.3941 4.7493 4.7493 4.7803 4.7803 4.8849 4.8849 4.9652 4.9652 5.0595 5.0595 5.1410 5.1410 5.2283 5.2283 5.2797 5.2797 6.0779 6.0779 6.1778 6.1778 6.5251 6.5251 8.2963 8.2963 8.3421 8.3421 8.4737 8.4737 8.6291 8.6291 8.9251 8.9251 8.9700 8.9700 10.1068 10.1068 10.7433 10.7433 10.8054 10.8054 11.8123 11.8123 11.9345 11.9345 12.3371 12.3371 12.9672 12.9672 12.9995 12.9995 k = 0.2889 0.5004-0.0000 ( 6799 PWs) bands (ev): -31.3520 -31.3520 -31.3497 -31.3497 -31.3444 -31.3444 -12.6677 -12.6677 -12.6481 -12.6481 -12.6390 -12.6390 -12.3188 -12.3188 -12.2920 -12.2920 -12.2804 -12.2804 -12.2522 -12.2522 -12.2456 -12.2456 -12.2341 -12.2341 -1.4814 -1.4814 -1.1205 -1.1205 -1.0112 -1.0112 3.8586 3.8586 3.9219 3.9219 4.0425 4.0425 4.1057 4.1057 4.3235 4.3235 4.3716 4.3716 4.3981 4.3981 4.7457 4.7457 4.7805 4.7805 4.8750 4.8750 4.9694 4.9694 5.0606 5.0606 5.1408 5.1408 5.2299 5.2299 5.2821 5.2821 6.0447 6.0447 6.1455 6.1455 6.6079 6.6079 8.2867 8.2867 8.3394 8.3394 8.4232 8.4232 8.6236 8.6236 8.8994 8.8994 8.9876 8.9876 10.1334 10.1334 10.7438 10.7438 10.8432 10.8432 11.7885 11.7885 11.9654 11.9654 12.3299 12.3299 12.9239 12.9239 12.9671 12.9671 k = 0.2778 0.4811-0.0000 ( 6815 PWs) bands (ev): -31.3523 -31.3523 -31.3494 -31.3494 -31.3444 -31.3444 -12.6679 -12.6679 -12.6493 -12.6493 -12.6377 -12.6377 -12.3190 -12.3190 -12.2934 -12.2934 -12.2790 -12.2790 -12.2529 -12.2529 -12.2450 -12.2450 -12.2337 -12.2337 -1.4892 -1.4892 -1.1286 -1.1286 -0.9949 -0.9949 3.8581 3.8581 3.9294 3.9294 4.0400 4.0400 4.1164 4.1164 4.3212 4.3212 4.3742 4.3742 4.4020 4.4020 4.7403 4.7403 4.7802 4.7802 4.8641 4.8641 4.9742 4.9742 5.0621 5.0621 5.1404 5.1404 5.2326 5.2326 5.2846 5.2846 6.0116 6.0116 6.1162 6.1162 6.6918 6.6918 8.2767 8.2767 8.3294 8.3294 8.3706 8.3706 8.5983 8.5983 8.8817 8.8817 9.0106 9.0106 10.1660 10.1660 10.7419 10.7419 10.8904 10.8904 11.7624 11.7624 11.9993 11.9993 12.3216 12.3216 12.8533 12.8533 12.9626 12.9626 k = 0.2667 0.4619-0.0000 ( 6823 PWs) bands (ev): -31.3526 -31.3526 -31.3491 -31.3491 -31.3444 -31.3444 -12.6682 -12.6682 -12.6505 -12.6505 -12.6365 -12.6365 -12.3193 -12.3193 -12.2948 -12.2948 -12.2776 -12.2776 -12.2535 -12.2535 -12.2445 -12.2445 -12.2331 -12.2331 -1.4991 -1.4991 -1.1349 -1.1349 -0.9783 -0.9783 3.8576 3.8576 3.9380 3.9380 4.0389 4.0389 4.1280 4.1280 4.3193 4.3193 4.3776 4.3776 4.4060 4.4060 4.7323 4.7323 4.7796 4.7796 4.8540 4.8540 4.9792 4.9792 5.0641 5.0641 5.1395 5.1395 5.2366 5.2366 5.2872 5.2872 5.9791 5.9791 6.0900 6.0900 6.7757 6.7757 8.2623 8.2623 8.2959 8.2959 8.3379 8.3379 8.5499 8.5499 8.8774 8.8774 9.0386 9.0386 10.2032 10.2032 10.7377 10.7377 10.9444 10.9444 11.7336 11.7336 12.0351 12.0351 12.3138 12.3138 12.7824 12.7824 12.9610 12.9610 k = 0.2556 0.4426-0.0000 ( 6827 PWs) bands (ev): -31.3529 -31.3529 -31.3488 -31.3488 -31.3444 -31.3444 -12.6685 -12.6685 -12.6517 -12.6517 -12.6352 -12.6352 -12.3196 -12.3196 -12.2964 -12.2964 -12.2762 -12.2762 -12.2542 -12.2542 -12.2439 -12.2439 -12.2324 -12.2324 -1.5110 -1.5110 -1.1393 -1.1393 -0.9616 -0.9616 3.8570 3.8570 3.9475 3.9475 4.0395 4.0395 4.1401 4.1401 4.3178 4.3178 4.3817 4.3817 4.4101 4.4101 4.7208 4.7208 4.7788 4.7788 4.8458 4.8458 4.9842 4.9842 5.0668 5.0668 5.1381 5.1381 5.2419 5.2419 5.2897 5.2897 5.9476 5.9476 6.0666 6.0666 6.8590 6.8590 8.2172 8.2172 8.2690 8.2690 8.3227 8.3227 8.4822 8.4822 8.8852 8.8852 9.0712 9.0712 10.2437 10.2437 10.7312 10.7312 11.0029 11.0029 11.7018 11.7018 12.0716 12.0716 12.3081 12.3081 12.7120 12.7120 12.9631 12.9631 k = 0.2444 0.4234-0.0000 ( 6827 PWs) bands (ev): -31.3532 -31.3532 -31.3485 -31.3485 -31.3444 -31.3444 -12.6688 -12.6688 -12.6529 -12.6529 -12.6339 -12.6339 -12.3199 -12.3199 -12.2980 -12.2980 -12.2747 -12.2747 -12.2548 -12.2548 -12.2434 -12.2434 -12.2317 -12.2317 -1.5246 -1.5246 -1.1420 -1.1420 -0.9447 -0.9447 3.8564 3.8564 3.9575 3.9575 4.0421 4.0421 4.1527 4.1527 4.3168 4.3168 4.3864 4.3864 4.4146 4.4146 4.7057 4.7057 4.7783 4.7783 4.8401 4.8401 4.9890 4.9890 5.0700 5.0700 5.1363 5.1363 5.2485 5.2485 5.2920 5.2920 5.9174 5.9174 6.0457 6.0457 6.9405 6.9405 8.1507 8.1507 8.2571 8.2571 8.3079 8.3079 8.4023 8.4023 8.9009 8.9009 9.1079 9.1079 10.2861 10.2861 10.7226 10.7226 11.0638 11.0638 11.6664 11.6664 12.1080 12.1080 12.3063 12.3063 12.6427 12.6427 12.9702 12.9702 k = 0.2333 0.4041-0.0000 ( 6815 PWs) bands (ev): -31.3535 -31.3535 -31.3482 -31.3482 -31.3444 -31.3444 -12.6690 -12.6690 -12.6541 -12.6541 -12.6326 -12.6326 -12.3201 -12.3201 -12.2996 -12.2996 -12.2733 -12.2733 -12.2552 -12.2552 -12.2428 -12.2428 -12.2309 -12.2309 -1.5396 -1.5396 -1.1432 -1.1432 -0.9279 -0.9279 3.8557 3.8557 3.9673 3.9673 4.0473 4.0473 4.1654 4.1654 4.3163 4.3163 4.3914 4.3914 4.4197 4.4197 4.6877 4.6877 4.7784 4.7784 4.8368 4.8368 4.9935 4.9935 5.0737 5.0737 5.1340 5.1340 5.2562 5.2562 5.2940 5.2940 5.8885 5.8885 6.0271 6.0271 7.0193 7.0193 8.0812 8.0812 8.2401 8.2401 8.2897 8.2897 8.3232 8.3232 8.9215 8.9215 9.1482 9.1482 10.3290 10.3290 10.7119 10.7119 11.1253 11.1253 11.6273 11.6273 12.1432 12.1432 12.3101 12.3101 12.5747 12.5747 12.9837 12.9837 k = 0.2222 0.3849-0.0000 ( 6807 PWs) bands (ev): -31.3538 -31.3538 -31.3479 -31.3479 -31.3444 -31.3444 -12.6694 -12.6694 -12.6553 -12.6553 -12.6313 -12.6313 -12.3205 -12.3205 -12.3012 -12.3012 -12.2719 -12.2719 -12.2556 -12.2556 -12.2423 -12.2423 -12.2300 -12.2300 -1.5559 -1.5559 -1.1430 -1.1430 -0.9111 -0.9111 3.8550 3.8550 3.9764 3.9764 4.0554 4.0554 4.1779 4.1779 4.3161 4.3161 4.3964 4.3964 4.4259 4.4259 4.6680 4.6680 4.7790 4.7790 4.8352 4.8352 4.9976 4.9976 5.0778 5.0778 5.1314 5.1314 5.2648 5.2648 5.2958 5.2958 5.8611 5.8611 6.0106 6.0106 7.0933 7.0933 8.0129 8.0129 8.1834 8.1834 8.2662 8.2662 8.2832 8.2832 8.9449 8.9449 9.1918 9.1918 10.3706 10.3706 10.6996 10.6996 11.1856 11.1856 11.5846 11.5846 12.1765 12.1765 12.3207 12.3207 12.5084 12.5084 13.0044 13.0044 k = 0.2111 0.3657-0.0000 ( 6803 PWs) bands (ev): -31.3541 -31.3541 -31.3476 -31.3476 -31.3444 -31.3444 -12.6697 -12.6697 -12.6564 -12.6564 -12.6300 -12.6300 -12.3209 -12.3209 -12.3028 -12.3028 -12.2707 -12.2707 -12.2559 -12.2559 -12.2418 -12.2418 -12.2290 -12.2290 -1.5731 -1.5731 -1.1417 -1.1417 -0.8945 -0.8945 3.8541 3.8541 3.9844 3.9844 4.0667 4.0667 4.1900 4.1900 4.3163 4.3163 4.4011 4.4011 4.4336 4.4336 4.6479 4.6479 4.7803 4.7803 4.8350 4.8350 5.0014 5.0014 5.0821 5.0821 5.1286 5.1286 5.2734 5.2734 5.2979 5.2979 5.8353 5.8353 5.9960 5.9960 7.1597 7.1597 7.9493 7.9493 8.0898 8.0898 8.2555 8.2555 8.2638 8.2638 8.9701 8.9701 9.2381 9.2381 10.4085 10.4085 10.6865 10.6865 11.2433 11.2433 11.5393 11.5393 12.2077 12.2077 12.3388 12.3388 12.4441 12.4441 12.9857 12.9857 k = 0.2000 0.3464-0.0000 ( 6797 PWs) bands (ev): -31.3544 -31.3544 -31.3473 -31.3473 -31.3444 -31.3444 -12.6701 -12.6701 -12.6576 -12.6576 -12.6288 -12.6288 -12.3212 -12.3212 -12.3044 -12.3044 -12.2696 -12.2696 -12.2560 -12.2560 -12.2414 -12.2414 -12.2280 -12.2280 -1.5909 -1.5909 -1.1396 -1.1396 -0.8781 -0.8781 3.8530 3.8530 3.9912 3.9912 4.0808 4.0808 4.2012 4.2012 4.3166 4.3166 4.4051 4.4051 4.4433 4.4433 4.6288 4.6288 4.7820 4.7820 4.8358 4.8358 5.0048 5.0048 5.0864 5.0864 5.1257 5.1257 5.2806 5.2806 5.3018 5.3018 5.8111 5.8111 5.9831 5.9831 7.2138 7.2138 7.8943 7.8943 7.9895 7.9895 8.2453 8.2453 8.2505 8.2505 8.9964 8.9964 9.2868 9.2868 10.4397 10.4397 10.6742 10.6742 11.2970 11.2970 11.4928 11.4928 12.2370 12.2370 12.3623 12.3623 12.3844 12.3844 12.9046 12.9046 k = 0.1889 0.3272-0.0000 ( 6807 PWs) bands (ev): -31.3547 -31.3547 -31.3470 -31.3470 -31.3444 -31.3444 -12.6705 -12.6705 -12.6587 -12.6587 -12.6277 -12.6277 -12.3216 -12.3216 -12.3060 -12.3060 -12.2687 -12.2687 -12.2560 -12.2560 -12.2410 -12.2410 -12.2269 -12.2269 -1.6091 -1.6091 -1.1368 -1.1368 -0.8621 -0.8621 3.8517 3.8517 3.9970 3.9970 4.0972 4.0972 4.2113 4.2113 4.3168 4.3168 4.4083 4.4083 4.4549 4.4549 4.6121 4.6121 4.7840 4.7840 4.8372 4.8372 5.0079 5.0079 5.0906 5.0906 5.1230 5.1230 5.2841 5.2841 5.3096 5.3096 5.7887 5.7887 5.9717 5.9717 7.2488 7.2488 7.8416 7.8416 7.9020 7.9020 8.2276 8.2276 8.2469 8.2469 9.0231 9.0231 9.3374 9.3374 10.4596 10.4596 10.6652 10.6652 11.3454 11.3454 11.4471 11.4471 12.2646 12.2646 12.3204 12.3204 12.4008 12.4008 12.8214 12.8214 k = 0.1778 0.3079-0.0000 ( 6805 PWs) bands (ev): -31.3550 -31.3550 -31.3467 -31.3467 -31.3443 -31.3443 -12.6709 -12.6709 -12.6597 -12.6597 -12.6265 -12.6265 -12.3221 -12.3221 -12.3076 -12.3076 -12.2680 -12.2680 -12.2558 -12.2558 -12.2406 -12.2406 -12.2258 -12.2258 -1.6273 -1.6273 -1.1335 -1.1335 -0.8464 -0.8464 3.8504 3.8504 4.0022 4.0022 4.1151 4.1151 4.2199 4.2199 4.3168 4.3168 4.4107 4.4107 4.4682 4.4682 4.5991 4.5991 4.7863 4.7863 4.8394 4.8394 5.0105 5.0105 5.0943 5.0943 5.1208 5.1208 5.2842 5.2842 5.3212 5.3212 5.7681 5.7681 5.9616 5.9616 7.2581 7.2581 7.7545 7.7545 7.8731 7.8731 8.2099 8.2099 8.2448 8.2448 9.0501 9.0501 9.3898 9.3898 10.4637 10.4637 10.6625 10.6625 11.3865 11.3865 11.4055 11.4055 12.2593 12.2593 12.2967 12.2967 12.4419 12.4419 12.7370 12.7370 k = 0.1667 0.2887-0.0000 ( 6805 PWs) bands (ev): -31.3553 -31.3553 -31.3465 -31.3465 -31.3443 -31.3443 -12.6714 -12.6714 -12.6607 -12.6607 -12.6255 -12.6255 -12.3225 -12.3225 -12.3090 -12.3090 -12.2674 -12.2674 -12.2555 -12.2555 -12.2402 -12.2402 -12.2246 -12.2246 -1.6453 -1.6453 -1.1298 -1.1298 -0.8312 -0.8312 3.8488 3.8488 4.0069 4.0069 4.1338 4.1338 4.2267 4.2267 4.3167 4.3167 4.4123 4.4123 4.4824 4.4824 4.5913 4.5913 4.7886 4.7886 4.8424 4.8424 5.0128 5.0128 5.0969 5.0969 5.1197 5.1197 5.2821 5.2821 5.3350 5.3350 5.7492 5.7492 5.9527 5.9527 7.2398 7.2398 7.6501 7.6501 7.8894 7.8894 8.1925 8.1925 8.2435 8.2435 9.0770 9.0770 9.4435 9.4435 10.4497 10.4497 10.6662 10.6662 11.3662 11.3662 11.4242 11.4242 12.2053 12.2053 12.3254 12.3254 12.4902 12.4902 12.6521 12.6521 k = 0.1556 0.2694-0.0000 ( 6803 PWs) bands (ev): -31.3556 -31.3556 -31.3462 -31.3462 -31.3443 -31.3443 -12.6718 -12.6718 -12.6616 -12.6616 -12.6245 -12.6245 -12.3230 -12.3230 -12.3104 -12.3104 -12.2670 -12.2670 -12.2550 -12.2550 -12.2399 -12.2399 -12.2234 -12.2234 -1.6630 -1.6630 -1.1260 -1.1260 -0.8166 -0.8166 3.8471 3.8471 4.0113 4.0113 4.1523 4.1523 4.2317 4.2317 4.3165 4.3165 4.4132 4.4132 4.4968 4.4968 4.5898 4.5898 4.7907 4.7907 4.8463 4.8463 5.0148 5.0148 5.0978 5.0978 5.1205 5.1205 5.2788 5.2788 5.3504 5.3504 5.7320 5.7320 5.9448 5.9448 7.1986 7.1986 7.5434 7.5434 7.9325 7.9325 8.1757 8.1757 8.2430 8.2430 9.1035 9.1035 9.4982 9.4982 10.4194 10.4194 10.6728 10.6728 11.3371 11.3371 11.4525 11.4525 12.1527 12.1527 12.3581 12.3581 12.5429 12.5429 12.5690 12.5690 k = 0.1444 0.2502-0.0000 ( 6801 PWs) bands (ev): -31.3558 -31.3558 -31.3460 -31.3460 -31.3443 -31.3443 -12.6723 -12.6723 -12.6625 -12.6625 -12.6235 -12.6235 -12.3234 -12.3234 -12.3117 -12.3117 -12.2667 -12.2667 -12.2545 -12.2545 -12.2396 -12.2396 -12.2222 -12.2222 -1.6801 -1.6801 -1.1222 -1.1222 -0.8026 -0.8026 3.8453 3.8453 4.0153 4.0153 4.1697 4.1697 4.2349 4.2349 4.3165 4.3165 4.4136 4.4136 4.5109 4.5109 4.5951 4.5951 4.7924 4.7924 4.8512 4.8512 5.0165 5.0165 5.0971 5.0971 5.1230 5.1230 5.2746 5.2746 5.3671 5.3671 5.7165 5.7165 5.9378 5.9378 7.1422 7.1422 7.4372 7.4372 7.9930 7.9930 8.1597 8.1597 8.2432 8.2432 9.1294 9.1294 9.5535 9.5535 10.3757 10.3757 10.6782 10.6782 11.3174 11.3174 11.4738 11.4738 12.1028 12.1028 12.3942 12.3942 12.4825 12.4825 12.6049 12.6049 k = 0.1333 0.2309-0.0000 ( 6797 PWs) bands (ev): -31.3560 -31.3560 -31.3457 -31.3457 -31.3443 -31.3443 -12.6728 -12.6728 -12.6632 -12.6632 -12.6226 -12.6226 -12.3239 -12.3239 -12.3129 -12.3129 -12.2665 -12.2665 -12.2540 -12.2540 -12.2393 -12.2393 -12.2210 -12.2210 -1.6966 -1.6966 -1.1184 -1.1184 -0.7893 -0.7893 3.8434 3.8434 4.0190 4.0190 4.1848 4.1848 4.2370 4.2370 4.3169 4.3169 4.4138 4.4138 4.5246 4.5246 4.6065 4.6065 4.7936 4.7936 4.8573 4.8573 5.0180 5.0180 5.0953 5.0953 5.1268 5.1268 5.2698 5.2698 5.3851 5.3851 5.7025 5.7025 5.9316 5.9316 7.0770 7.0770 7.3326 7.3326 8.0638 8.0638 8.1453 8.1453 8.2439 8.2439 9.1545 9.1545 9.6090 9.6090 10.3211 10.3211 10.6801 10.6801 11.3077 11.3077 11.4884 11.4884 12.0558 12.0558 12.3968 12.3968 12.4377 12.4377 12.6682 12.6682 k = 0.1222 0.2117-0.0000 ( 6805 PWs) bands (ev): -31.3563 -31.3563 -31.3455 -31.3455 -31.3443 -31.3443 -12.6733 -12.6733 -12.6640 -12.6640 -12.6218 -12.6218 -12.3244 -12.3244 -12.3141 -12.3141 -12.2664 -12.2664 -12.2534 -12.2534 -12.2390 -12.2390 -12.2198 -12.2198 -1.7121 -1.7121 -1.1146 -1.1146 -0.7769 -0.7769 3.8415 3.8415 4.0223 4.0223 4.1956 4.1956 4.2398 4.2398 4.3180 4.3180 4.4141 4.4141 4.5388 4.5388 4.6223 4.6223 4.7942 4.7942 4.8648 4.8648 5.0193 5.0193 5.0929 5.0929 5.1313 5.1313 5.2645 5.2645 5.4043 5.4043 5.6898 5.6898 5.9263 5.9263 7.0076 7.0076 7.2302 7.2302 8.1205 8.1205 8.1530 8.1530 8.2456 8.2456 9.1786 9.1786 9.6641 9.6641 10.2570 10.2570 10.6782 10.6782 11.3075 11.3075 11.4972 11.4972 12.0120 12.0120 12.3168 12.3168 12.4812 12.4812 12.7340 12.7340 k = 0.1111 0.1925-0.0000 ( 6811 PWs) bands (ev): -31.3565 -31.3565 -31.3453 -31.3453 -31.3443 -31.3443 -12.6738 -12.6738 -12.6646 -12.6646 -12.6210 -12.6210 -12.3250 -12.3250 -12.3151 -12.3151 -12.2664 -12.2664 -12.2529 -12.2529 -12.2388 -12.2388 -12.2187 -12.2187 -1.7267 -1.7267 -1.1111 -1.1111 -0.7652 -0.7652 3.8395 3.8395 4.0249 4.0249 4.2003 4.2003 4.2453 4.2453 4.3196 4.3196 4.4145 4.4145 4.5540 4.5540 4.6405 4.6405 4.7941 4.7941 4.8738 4.8738 5.0206 5.0206 5.0903 5.0903 5.1363 5.1363 5.2591 5.2591 5.4245 5.4245 5.6783 5.6783 5.9217 5.9217 6.9369 6.9369 7.1308 7.1308 8.1127 8.1127 8.2256 8.2256 8.2530 8.2530 9.2014 9.2014 9.7183 9.7183 10.1850 10.1850 10.6730 10.6730 11.3151 11.3151 11.5010 11.5010 11.9714 11.9714 12.2381 12.2381 12.5299 12.5299 12.8005 12.8005 k = 0.1000 0.1732-0.0000 ( 6797 PWs) bands (ev): -31.3567 -31.3567 -31.3451 -31.3451 -31.3443 -31.3443 -12.6743 -12.6743 -12.6651 -12.6651 -12.6203 -12.6203 -12.3254 -12.3254 -12.3159 -12.3159 -12.2664 -12.2664 -12.2524 -12.2524 -12.2386 -12.2386 -12.2175 -12.2175 -1.7402 -1.7402 -1.1077 -1.1077 -0.7545 -0.7545 3.8376 3.8376 4.0270 4.0270 4.1998 4.1998 4.2534 4.2534 4.3215 4.3215 4.4153 4.4153 4.5705 4.5705 4.6594 4.6594 4.7934 4.7934 4.8843 4.8843 5.0219 5.0219 5.0876 5.0876 5.1418 5.1418 5.2537 5.2537 5.4458 5.4458 5.6679 5.6679 5.9179 5.9179 6.8673 6.8673 7.0350 7.0350 8.1007 8.1007 8.2447 8.2447 8.3229 8.3229 9.2228 9.2228 9.7705 9.7705 10.1068 10.1068 10.6657 10.6657 11.3287 11.3287 11.5011 11.5011 11.9343 11.9343 12.1623 12.1623 12.5821 12.5821 12.8613 12.8613 k = 0.0889 0.1540-0.0000 ( 6789 PWs) bands (ev): -31.3568 -31.3568 -31.3449 -31.3449 -31.3443 -31.3443 -12.6747 -12.6747 -12.6655 -12.6655 -12.6197 -12.6197 -12.3259 -12.3259 -12.3166 -12.3166 -12.2664 -12.2664 -12.2519 -12.2519 -12.2384 -12.2384 -12.2165 -12.2165 -1.7525 -1.7525 -1.1047 -1.1047 -0.7447 -0.7447 3.8358 3.8358 4.0283 4.0283 4.1966 4.1966 4.2622 4.2622 4.3236 4.3236 4.4162 4.4162 4.5880 4.5880 4.6777 4.6777 4.7923 4.7923 4.8962 4.8962 5.0234 5.0234 5.0846 5.0846 5.1478 5.1478 5.2485 5.2485 5.4678 5.4678 5.6583 5.6583 5.9150 5.9150 6.8002 6.8002 6.9435 6.9435 8.0894 8.0894 8.2474 8.2474 8.4123 8.4123 9.2425 9.2425 9.8189 9.8189 10.0251 10.0251 10.6574 10.6574 11.3460 11.3460 11.4984 11.4984 11.9007 11.9007 12.0904 12.0904 12.6369 12.6369 12.8339 12.8339 k = 0.0778 0.1347-0.0000 ( 6789 PWs) bands (ev): -31.3570 -31.3570 -31.3448 -31.3448 -31.3443 -31.3443 -12.6752 -12.6752 -12.6659 -12.6659 -12.6191 -12.6191 -12.3264 -12.3264 -12.3173 -12.3173 -12.2664 -12.2664 -12.2515 -12.2515 -12.2382 -12.2382 -12.2155 -12.2155 -1.7636 -1.7636 -1.1019 -1.1019 -0.7360 -0.7360 3.8341 3.8341 4.0289 4.0289 4.1924 4.1924 4.2704 4.2704 4.3256 4.3256 4.4173 4.4173 4.6060 4.6060 4.6942 4.6942 4.7910 4.7910 4.9092 4.9092 5.0252 5.0252 5.0815 5.0815 5.1543 5.1543 5.2437 5.2437 5.4900 5.4900 5.6494 5.6494 5.9130 5.9130 6.7371 6.7371 6.8572 6.8572 8.0791 8.0791 8.2494 8.2494 8.5047 8.5047 9.2604 9.2604 9.8531 9.8531 9.9505 9.9505 10.6489 10.6489 11.3652 11.3652 11.4939 11.4939 11.8708 11.8708 12.0232 12.0232 12.6921 12.6921 12.7896 12.7896 k = 0.0667 0.1155-0.0000 ( 6797 PWs) bands (ev): -31.3571 -31.3571 -31.3447 -31.3447 -31.3443 -31.3443 -12.6756 -12.6756 -12.6663 -12.6663 -12.6187 -12.6187 -12.3269 -12.3269 -12.3178 -12.3178 -12.2664 -12.2664 -12.2511 -12.2511 -12.2381 -12.2381 -12.2147 -12.2147 -1.7733 -1.7733 -1.0995 -1.0995 -0.7283 -0.7283 3.8325 3.8325 4.0288 4.0288 4.1884 4.1884 4.2776 4.2776 4.3274 4.3274 4.4185 4.4185 4.6239 4.6239 4.7079 4.7079 4.7898 4.7898 4.9227 4.9227 5.0273 5.0273 5.0781 5.0781 5.1614 5.1614 5.2392 5.2392 5.5117 5.5117 5.6414 5.6414 5.9121 5.9121 6.6793 6.6793 6.7772 6.7772 8.0701 8.0701 8.2512 8.2512 8.5987 8.5987 9.2760 9.2760 9.8171 9.8171 9.9397 9.9397 10.6407 10.6407 11.3845 11.3845 11.4888 11.4888 11.8446 11.8446 11.9617 11.9617 12.7247 12.7247 12.7740 12.7740 k = 0.0556 0.0962-0.0000 ( 6789 PWs) bands (ev): -31.3572 -31.3572 -31.3445 -31.3445 -31.3443 -31.3443 -12.6759 -12.6759 -12.6665 -12.6665 -12.6182 -12.6182 -12.3273 -12.3273 -12.3182 -12.3182 -12.2664 -12.2664 -12.2508 -12.2508 -12.2380 -12.2380 -12.2139 -12.2139 -1.7816 -1.7816 -1.0974 -1.0974 -0.7217 -0.7217 3.8311 3.8311 4.0282 4.0282 4.1851 4.1851 4.2837 4.2837 4.3289 4.3289 4.4197 4.4197 4.6412 4.6412 4.7181 4.7181 4.7893 4.7893 4.9361 4.9361 5.0299 5.0299 5.0744 5.0744 5.1693 5.1693 5.2353 5.2353 5.5320 5.5320 5.6346 5.6346 5.9124 5.9124 6.6278 6.6278 6.7046 6.7046 8.0623 8.0623 8.2528 8.2528 8.6937 8.6937 9.2893 9.2893 9.7315 9.7315 9.9721 9.9721 10.6334 10.6334 11.4026 11.4026 11.4839 11.4839 11.8222 11.8222 11.9070 11.9070 12.6984 12.6984 12.8241 12.8241 k = 0.0444 0.0770-0.0000 ( 6789 PWs) bands (ev): -31.3573 -31.3573 -31.3445 -31.3445 -31.3443 -31.3443 -12.6763 -12.6763 -12.6667 -12.6667 -12.6179 -12.6179 -12.3276 -12.3276 -12.3186 -12.3186 -12.2665 -12.2665 -12.2506 -12.2506 -12.2378 -12.2378 -12.2133 -12.2133 -1.7885 -1.7885 -1.0957 -1.0957 -0.7163 -0.7163 3.8299 3.8299 4.0272 4.0272 4.1824 4.1824 4.2885 4.2885 4.3302 4.3302 4.4208 4.4208 4.6572 4.6572 4.7243 4.7243 4.7897 4.7897 4.9486 4.9486 5.0330 5.0330 5.0703 5.0703 5.1776 5.1776 5.2316 5.2316 5.5492 5.5492 5.6297 5.6297 5.9138 5.9138 6.5835 6.5835 6.6412 6.6412 8.0559 8.0559 8.2542 8.2542 8.7891 8.7891 9.2996 9.2996 9.6392 9.6392 10.0054 10.0054 10.6271 10.6271 11.4179 11.4179 11.4802 11.4802 11.8037 11.8037 11.8600 11.8600 12.6684 12.6684 12.8847 12.8847 k = 0.0333 0.0577-0.0000 ( 6779 PWs) bands (ev): -31.3574 -31.3574 -31.3444 -31.3444 -31.3443 -31.3443 -12.6765 -12.6765 -12.6669 -12.6669 -12.6176 -12.6176 -12.3279 -12.3279 -12.3189 -12.3189 -12.2665 -12.2665 -12.2504 -12.2504 -12.2378 -12.2378 -12.2128 -12.2128 -1.7939 -1.7939 -1.0943 -1.0943 -0.7120 -0.7120 3.8290 3.8290 4.0263 4.0263 4.1805 4.1805 4.2923 4.2923 4.3311 4.3311 4.4217 4.4217 4.6716 4.6716 4.7264 4.7264 4.7910 4.7910 4.9593 4.9593 5.0367 5.0367 5.0658 5.0658 5.1862 5.1862 5.2282 5.2282 5.5617 5.5617 5.6274 5.6274 5.9163 5.9163 6.5471 6.5471 6.5893 6.5893 8.0509 8.0509 8.2553 8.2553 8.8838 8.8838 9.3059 9.3059 9.5474 9.5474 10.0337 10.0337 10.6221 10.6221 11.4291 11.4291 11.4787 11.4787 11.7892 11.7892 11.8221 11.8221 12.6436 12.6436 12.9466 12.9466 k = 0.0222 0.0385-0.0000 ( 6789 PWs) bands (ev): -31.3575 -31.3575 -31.3443 -31.3443 -31.3443 -31.3443 -12.6767 -12.6767 -12.6670 -12.6670 -12.6174 -12.6174 -12.3281 -12.3281 -12.3191 -12.3191 -12.2665 -12.2665 -12.2502 -12.2502 -12.2377 -12.2377 -12.2124 -12.2124 -1.7978 -1.7978 -1.0933 -1.0933 -0.7090 -0.7090 3.8283 3.8283 4.0253 4.0253 4.1792 4.1792 4.2949 4.2949 4.3317 4.3317 4.4224 4.4224 4.6838 4.6838 4.7253 4.7253 4.7927 4.7927 4.9673 4.9673 5.0409 5.0409 5.0609 5.0609 5.1943 5.1943 5.2248 5.2248 5.5687 5.5687 5.6281 5.6281 5.9191 5.9191 6.5188 6.5188 6.5514 6.5514 8.0472 8.0472 8.2561 8.2561 8.9752 8.9752 9.3053 9.3053 9.4627 9.4627 10.0550 10.0550 10.6185 10.6185 11.4356 11.4356 11.4794 11.4794 11.7784 11.7784 11.7944 11.7944 12.6253 12.6253 13.0081 13.0081 k = 0.0111 0.0192-0.0000 ( 6789 PWs) bands (ev): -31.3575 -31.3575 -31.3443 -31.3443 -31.3443 -31.3443 -12.6768 -12.6768 -12.6671 -12.6671 -12.6173 -12.6173 -12.3282 -12.3282 -12.3192 -12.3192 -12.2665 -12.2665 -12.2502 -12.2502 -12.2377 -12.2377 -12.2122 -12.2122 -1.8001 -1.8001 -1.0928 -1.0928 -0.7071 -0.7071 3.8279 3.8279 4.0247 4.0247 4.1785 4.1785 4.2965 4.2965 4.3321 4.3321 4.4228 4.4228 4.6930 4.6930 4.7226 4.7226 4.7940 4.7940 4.9724 4.9724 5.0455 5.0455 5.0559 5.0559 5.2007 5.2007 5.2217 5.2217 5.5714 5.5714 5.6301 5.6301 5.9214 5.9214 6.5000 6.5000 6.5290 6.5290 8.0451 8.0451 8.2566 8.2566 9.0558 9.0558 9.2899 9.2899 9.4011 9.4011 10.0682 10.0682 10.6163 10.6163 11.4385 11.4385 11.4810 11.4810 11.7710 11.7710 11.7784 11.7784 12.6141 12.6141 13.0672 13.0672 k = 0.0000 0.0000 0.0000 ( 6779 PWs) bands (ev): -31.3575 -31.3575 -31.3443 -31.3443 -31.3443 -31.3443 -12.6768 -12.6768 -12.6671 -12.6671 -12.6172 -12.6172 -12.3283 -12.3283 -12.3192 -12.3192 -12.2665 -12.2665 -12.2501 -12.2501 -12.2376 -12.2376 -12.2121 -12.2121 -1.8009 -1.8009 -1.0926 -1.0926 -0.7065 -0.7065 3.8278 3.8278 4.0245 4.0245 4.1782 4.1782 4.2970 4.2970 4.3323 4.3323 4.4230 4.4230 4.6968 4.6968 4.7208 4.7208 4.7945 4.7945 4.9741 4.9741 5.0497 5.0497 5.0517 5.0517 5.2035 5.2035 5.2202 5.2202 5.5721 5.5721 5.6311 5.6311 5.9223 5.9223 6.4933 6.4933 6.5218 6.5218 8.0443 8.0443 8.2568 8.2568 9.0957 9.0957 9.2709 9.2709 9.3814 9.3814 10.0727 10.0727 10.6156 10.6156 11.4392 11.4392 11.4817 11.4817 11.7676 11.7676 11.7740 11.7740 12.6103 12.6103 13.1080 13.1080 k = 0.0000 0.0000 0.0000 ( 6779 PWs) bands (ev): -31.3575 -31.3575 -31.3443 -31.3443 -31.3443 -31.3443 -12.6768 -12.6768 -12.6671 -12.6671 -12.6172 -12.6172 -12.3283 -12.3283 -12.3192 -12.3192 -12.2665 -12.2665 -12.2501 -12.2501 -12.2376 -12.2376 -12.2121 -12.2121 -1.8009 -1.8009 -1.0926 -1.0926 -0.7065 -0.7065 3.8278 3.8278 4.0245 4.0245 4.1782 4.1782 4.2970 4.2970 4.3323 4.3323 4.4230 4.4230 4.6968 4.6968 4.7208 4.7208 4.7945 4.7945 4.9741 4.9741 5.0497 5.0497 5.0517 5.0517 5.2035 5.2035 5.2202 5.2202 5.5721 5.5721 5.6311 5.6311 5.9223 5.9223 6.4933 6.4933 6.5218 6.5218 8.0443 8.0443 8.2568 8.2568 9.0957 9.0957 9.2709 9.2709 9.3814 9.3814 10.0727 10.0727 10.6156 10.6156 11.4392 11.4392 11.4817 11.4817 11.7676 11.7676 11.7740 11.7740 12.6103 12.6103 13.1080 13.1080 k = 0.0000 0.0000 0.0228 ( 6797 PWs) bands (ev): -31.3575 -31.3575 -31.3443 -31.3443 -31.3443 -31.3443 -12.6768 -12.6768 -12.6672 -12.6671 -12.6173 -12.6173 -12.3283 -12.3283 -12.3192 -12.3192 -12.2666 -12.2665 -12.2502 -12.2502 -12.2377 -12.2377 -12.2121 -12.2121 -1.8000 -1.8000 -1.0922 -1.0922 -0.7066 -0.7066 3.8276 3.8276 4.0243 4.0253 4.1785 4.1785 4.2972 4.2972 4.3228 4.3425 4.4235 4.4235 4.6959 4.6959 4.7217 4.7217 4.7782 4.8105 4.9704 4.9779 5.0495 5.0495 5.0515 5.0515 5.2035 5.2035 5.2199 5.2205 5.5722 5.5722 5.6309 5.6319 5.9222 5.9222 6.4948 6.4948 6.5208 6.5254 8.0346 8.0346 8.2549 8.2549 9.0889 9.0889 9.2695 9.2695 9.3783 9.3811 10.0710 10.0710 10.6276 10.6276 11.4364 11.4364 11.4769 11.4792 11.7702 11.7702 11.7771 11.7779 12.6202 12.6202 13.1109 13.1109 k = 0.0000 0.0000 0.0457 ( 6791 PWs) bands (ev): -31.3575 -31.3575 -31.3443 -31.3443 -31.3443 -31.3443 -12.6768 -12.6768 -12.6673 -12.6671 -12.6174 -12.6174 -12.3282 -12.3282 -12.3192 -12.3192 -12.2668 -12.2666 -12.2503 -12.2503 -12.2379 -12.2379 -12.2121 -12.2121 -1.7973 -1.7973 -1.0911 -1.0911 -0.7068 -0.7068 3.8271 3.8271 4.0246 4.0267 4.1793 4.1793 4.2976 4.2976 4.3141 4.3537 4.4250 4.4250 4.6934 4.6934 4.7242 4.7242 4.7617 4.8263 4.9668 4.9817 5.0489 5.0489 5.0512 5.0512 5.2038 5.2038 5.2196 5.2209 5.5728 5.5728 5.6314 5.6333 5.9221 5.9221 6.4994 6.4994 6.5226 6.5316 8.0060 8.0060 8.2492 8.2492 9.0681 9.0681 9.2653 9.2653 9.3718 9.3775 10.0676 10.0676 10.6622 10.6622 11.4286 11.4286 11.4654 11.4698 11.7780 11.7780 11.7869 11.7884 12.6497 12.6497 13.1194 13.1194 k = 0.0000 0.0000 0.0685 ( 6779 PWs) bands (ev): -31.3575 -31.3575 -31.3443 -31.3442 -31.3442 -31.3442 -12.6768 -12.6768 -12.6673 -12.6670 -12.6176 -12.6176 -12.3282 -12.3282 -12.3192 -12.3192 -12.2671 -12.2667 -12.2505 -12.2505 -12.2382 -12.2382 -12.2122 -12.2121 -1.7929 -1.7929 -1.0893 -1.0893 -0.7071 -0.7071 3.8263 3.8263 4.0255 4.0287 4.1806 4.1806 4.2984 4.2984 4.3063 4.3658 4.4274 4.4274 4.6899 4.6899 4.7277 4.7277 4.7452 4.8419 4.9634 4.9856 5.0480 5.0480 5.0508 5.0508 5.2042 5.2042 5.2194 5.2212 5.5738 5.5738 5.6327 5.6354 5.9220 5.9220 6.5069 6.5069 6.5271 6.5405 7.9599 7.9599 8.2398 8.2398 9.0333 9.0333 9.2578 9.2578 9.3619 9.3704 10.0661 10.0661 10.7152 10.7152 11.4164 11.4164 11.4489 11.4550 11.7900 11.7900 11.8019 11.8038 12.6979 12.6979 13.1061 13.1061 k = 0.0000 0.0000 0.0913 ( 6779 PWs) bands (ev): -31.3575 -31.3575 -31.3442 -31.3442 -31.3442 -31.3442 -12.6768 -12.6768 -12.6674 -12.6670 -12.6178 -12.6178 -12.3281 -12.3281 -12.3192 -12.3192 -12.2675 -12.2670 -12.2508 -12.2508 -12.2385 -12.2385 -12.2122 -12.2121 -1.7867 -1.7867 -1.0868 -1.0868 -0.7075 -0.7075 3.8252 3.8252 4.0270 4.0313 4.1824 4.1824 4.2991 4.2995 4.2995 4.3786 4.4309 4.4309 4.6858 4.6858 4.7288 4.7317 4.7317 4.8571 4.9602 4.9894 5.0466 5.0466 5.0503 5.0503 5.2048 5.2048 5.2193 5.2216 5.5751 5.5751 5.6347 5.6381 5.9217 5.9217 6.5174 6.5174 6.5344 6.5518 7.8986 7.8986 8.2268 8.2268 8.9845 8.9845 9.2470 9.2470 9.3485 9.3599 10.0700 10.0700 10.7822 10.7822 11.4011 11.4011 11.4290 11.4364 11.8050 11.8050 11.8206 11.8226 12.7636 12.7636 13.0777 13.0777 k = 0.0000 0.0000 0.1141 ( 6785 PWs) bands (ev): -31.3574 -31.3574 -31.3442 -31.3442 -31.3442 -31.3442 -12.6768 -12.6768 -12.6675 -12.6671 -12.6181 -12.6181 -12.3280 -12.3280 -12.3192 -12.3192 -12.2679 -12.2673 -12.2512 -12.2512 -12.2390 -12.2390 -12.2122 -12.2121 -1.7787 -1.7787 -1.0836 -1.0836 -0.7080 -0.7080 3.8237 3.8237 4.0289 4.0344 4.1847 4.1847 4.2925 4.3008 4.3008 4.3922 4.4352 4.4352 4.6813 4.6813 4.7125 4.7360 4.7360 4.8721 4.9572 4.9932 5.0448 5.0448 5.0497 5.0497 5.2055 5.2055 5.2193 5.2218 5.5769 5.5769 5.6374 5.6413 5.9215 5.9215 6.5308 6.5308 6.5445 6.5657 7.8245 7.8245 8.2104 8.2104 8.9225 8.9225 9.2325 9.2325 9.3314 9.3459 10.0812 10.0812 10.8595 10.8595 11.3837 11.3837 11.4071 11.4156 11.8221 11.8221 11.8413 11.8433 12.8450 12.8450 13.0401 13.0401 k = 0.0000 0.0000 0.1370 ( 6785 PWs) bands (ev): -31.3574 -31.3574 -31.3442 -31.3442 -31.3442 -31.3442 -12.6768 -12.6768 -12.6676 -12.6671 -12.6185 -12.6185 -12.3280 -12.3280 -12.3192 -12.3192 -12.2685 -12.2677 -12.2517 -12.2517 -12.2396 -12.2396 -12.2123 -12.2121 -1.7691 -1.7691 -1.0798 -1.0798 -0.7087 -0.7087 3.8218 3.8218 4.0313 4.0379 4.1873 4.1873 4.2865 4.3025 4.3025 4.4063 4.4405 4.4405 4.6765 4.6765 4.6967 4.7406 4.7406 4.8869 4.9545 4.9970 5.0427 5.0427 5.0491 5.0491 5.2063 5.2063 5.2194 5.2220 5.5793 5.5793 5.6410 5.6452 5.9211 5.9211 6.5469 6.5469 6.5573 6.5819 7.7400 7.7400 8.1909 8.1909 8.8490 8.8490 9.2143 9.2143 9.3106 9.3282 10.1000 10.1000 10.9441 10.9441 11.3653 11.3653 11.3845 11.3938 11.8403 11.8403 11.8630 11.8649 12.9396 12.9396 12.9950 12.9950 k = 0.0000 0.0000 0.1598 ( 6809 PWs) bands (ev): -31.3574 -31.3574 -31.3441 -31.3441 -31.3441 -31.3441 -12.6769 -12.6769 -12.6678 -12.6672 -12.6189 -12.6189 -12.3279 -12.3279 -12.3192 -12.3192 -12.2691 -12.2683 -12.2523 -12.2523 -12.2402 -12.2402 -12.2123 -12.2121 -1.7578 -1.7578 -1.0754 -1.0754 -0.7095 -0.7095 3.8196 3.8196 4.0341 4.0420 4.1904 4.1904 4.2809 4.3045 4.3045 4.4207 4.4464 4.4464 4.6716 4.6716 4.6817 4.7454 4.7454 4.9015 4.9521 5.0006 5.0405 5.0405 5.0484 5.0484 5.2074 5.2074 5.2196 5.2221 5.5821 5.5821 5.6454 5.6497 5.9208 5.9208 6.5657 6.5657 6.5728 6.6004 7.6472 7.6472 8.1685 8.1685 8.7656 8.7656 9.1922 9.1922 9.2859 9.3068 10.1260 10.1260 11.0342 11.0342 11.3466 11.3466 11.3619 11.3718 11.8587 11.8587 11.8847 11.8865 12.9411 12.9411 12.9856 13.0008 k = 0.0000 0.0000 0.1826 ( 6809 PWs) bands (ev): -31.3573 -31.3573 -31.3441 -31.3441 -31.3441 -31.3441 -12.6769 -12.6769 -12.6680 -12.6673 -12.6194 -12.6194 -12.3278 -12.3278 -12.3192 -12.3192 -12.2698 -12.2689 -12.2529 -12.2529 -12.2410 -12.2410 -12.2123 -12.2121 -1.7450 -1.7450 -1.0704 -1.0704 -0.7103 -0.7103 3.8171 3.8171 4.0372 4.0464 4.1937 4.1937 4.2757 4.3069 4.3069 4.4348 4.4531 4.4531 4.6665 4.6665 4.6681 4.7504 4.7504 4.9161 4.9500 5.0042 5.0382 5.0382 5.0477 5.0477 5.2086 5.2086 5.2199 5.2221 5.5856 5.5856 5.6507 5.6548 5.9204 5.9204 6.5871 6.5871 6.5911 6.6212 7.5482 7.5482 8.1434 8.1434 8.6746 8.6746 9.1663 9.1663 9.2573 9.2815 10.1582 10.1582 11.1279 11.1279 11.3282 11.3282 11.3402 11.3505 11.8767 11.8767 11.9057 11.9075 12.8850 12.8850 12.9280 12.9420 k = 0.0000 0.0000 0.2054 ( 6803 PWs) bands (ev): -31.3573 -31.3573 -31.3441 -31.3441 -31.3440 -31.3440 -12.6769 -12.6769 -12.6681 -12.6674 -12.6199 -12.6199 -12.3277 -12.3277 -12.3193 -12.3193 -12.2705 -12.2695 -12.2536 -12.2536 -12.2418 -12.2418 -12.2124 -12.2122 -1.7305 -1.7305 -1.0648 -1.0648 -0.7113 -0.7113 3.8143 3.8143 4.0407 4.0512 4.1973 4.1973 4.2709 4.3096 4.3096 4.4481 4.4604 4.4604 4.6566 4.6615 4.6615 4.7555 4.7555 4.9306 4.9482 5.0078 5.0361 5.0361 5.0470 5.0470 5.2100 5.2100 5.2204 5.2219 5.5899 5.5899 5.6570 5.6607 5.9200 5.9200 6.6109 6.6109 6.6120 6.6441 7.4445 7.4445 8.1160 8.1160 8.5777 8.5777 9.1365 9.1365 9.2247 9.2523 10.1957 10.1957 11.2241 11.2241 11.3108 11.3108 11.3197 11.3304 11.8935 11.8935 11.9253 11.9271 12.8267 12.8267 12.8683 12.8810 k = 0.0000 0.0000 0.2283 ( 6815 PWs) bands (ev): -31.3572 -31.3572 -31.3440 -31.3440 -31.3440 -31.3440 -12.6770 -12.6770 -12.6683 -12.6675 -12.6205 -12.6205 -12.3276 -12.3276 -12.3193 -12.3193 -12.2714 -12.2702 -12.2544 -12.2544 -12.2427 -12.2427 -12.2124 -12.2122 -1.7146 -1.7146 -1.0588 -1.0588 -0.7124 -0.7124 3.8111 3.8111 4.0445 4.0562 4.2011 4.2011 4.2663 4.3126 4.3126 4.4594 4.4680 4.4680 4.6483 4.6565 4.6565 4.7607 4.7607 4.9446 4.9471 5.0112 5.0340 5.0340 5.0462 5.0462 5.2116 5.2116 5.2210 5.2216 5.5949 5.5949 5.6641 5.6673 5.9195 5.9195 6.6355 6.6370 6.6370 6.6692 7.3375 7.3375 8.0865 8.0865 8.4766 8.4766 9.1027 9.1027 9.1880 9.2192 10.2378 10.2378 11.2941 11.2941 11.3009 11.3117 11.3219 11.3219 11.9085 11.9085 11.9428 11.9447 12.7684 12.7684 12.8083 12.8198 k = 0.0000 0.0000 0.2511 ( 6821 PWs) bands (ev): -31.3571 -31.3571 -31.3440 -31.3440 -31.3440 -31.3440 -12.6770 -12.6770 -12.6685 -12.6676 -12.6211 -12.6211 -12.3274 -12.3274 -12.3193 -12.3193 -12.2723 -12.2710 -12.2552 -12.2552 -12.2436 -12.2436 -12.2124 -12.2122 -1.6972 -1.6972 -1.0524 -1.0524 -0.7135 -0.7135 3.8076 3.8076 4.0485 4.0616 4.2051 4.2051 4.2619 4.3161 4.3161 4.4673 4.4757 4.4757 4.6443 4.6518 4.6518 4.7659 4.7659 4.9452 4.9596 5.0147 5.0322 5.0322 5.0454 5.0454 5.2134 5.2134 5.2211 5.2219 5.6009 5.6009 5.6723 5.6747 5.9191 5.9191 6.6615 6.6653 6.6653 6.6962 7.2284 7.2284 8.0552 8.0552 8.3727 8.3727 9.0651 9.0651 9.1473 9.1820 10.2839 10.2839 11.2796 11.2796 11.2839 11.2948 11.4196 11.4196 11.9210 11.9210 11.9575 11.9597 12.7117 12.7117 12.7498 12.7600 k = 0.0000 0.0000 0.2739 ( 6821 PWs) bands (ev): -31.3571 -31.3571 -31.3439 -31.3439 -31.3439 -31.3439 -12.6770 -12.6770 -12.6687 -12.6677 -12.6218 -12.6218 -12.3273 -12.3273 -12.3194 -12.3194 -12.2732 -12.2719 -12.2560 -12.2560 -12.2445 -12.2445 -12.2125 -12.2122 -1.6785 -1.6785 -1.0456 -1.0456 -0.7147 -0.7147 3.8038 3.8038 4.0527 4.0671 4.2091 4.2091 4.2577 4.3198 4.3198 4.4707 4.4832 4.4832 4.6460 4.6476 4.6476 4.7712 4.7712 4.9442 4.9742 5.0182 5.0307 5.0307 5.0447 5.0447 5.2154 5.2154 5.2205 5.2230 5.6079 5.6079 5.6815 5.6831 5.9186 5.9186 6.6899 6.6955 6.6955 6.7252 7.1183 7.1183 8.0225 8.0225 8.2673 8.2673 9.0235 9.0235 9.1024 9.1408 10.3336 10.3336 11.2665 11.2665 11.2690 11.2799 11.5171 11.5171 11.9301 11.9301 11.9685 11.9712 12.6583 12.6583 12.6942 12.7032 k = 0.0000 0.0000 0.2967 ( 6809 PWs) bands (ev): -31.3570 -31.3570 -31.3438 -31.3438 -31.3438 -31.3438 -12.6771 -12.6771 -12.6689 -12.6679 -12.6224 -12.6224 -12.3272 -12.3272 -12.3194 -12.3194 -12.2741 -12.2727 -12.2569 -12.2569 -12.2455 -12.2455 -12.2124 -12.2121 -1.6586 -1.6586 -1.0385 -1.0385 -0.7160 -0.7160 3.7998 3.7998 4.0570 4.0727 4.2133 4.2133 4.2535 4.3240 4.3240 4.4692 4.4902 4.4902 4.6441 4.6441 4.6537 4.7764 4.7764 4.9434 4.9888 5.0218 5.0295 5.0295 5.0442 5.0442 5.2176 5.2176 5.2197 5.2243 5.6161 5.6161 5.6918 5.6926 5.9180 5.9180 6.7205 6.7276 6.7276 6.7559 7.0080 7.0080 7.9884 7.9884 8.1615 8.1615 8.9781 8.9781 9.0536 9.0957 10.3866 10.3866 11.2553 11.2553 11.2562 11.2671 11.6135 11.6135 11.9350 11.9350 11.9751 11.9785 12.6097 12.6097 12.6430 12.6508 k = 0.0000 0.0000 0.3196 ( 6821 PWs) bands (ev): -31.3569 -31.3569 -31.3438 -31.3438 -31.3438 -31.3438 -12.6772 -12.6772 -12.6691 -12.6681 -12.6232 -12.6232 -12.3270 -12.3270 -12.3195 -12.3195 -12.2752 -12.2737 -12.2578 -12.2578 -12.2465 -12.2465 -12.2125 -12.2121 -1.6374 -1.6374 -1.0312 -1.0312 -0.7174 -0.7174 3.7955 3.7955 4.0615 4.0784 4.2174 4.2174 4.2494 4.3285 4.3285 4.4632 4.4962 4.4962 4.6415 4.6415 4.6667 4.7816 4.7816 4.9427 5.0033 5.0255 5.0288 5.0288 5.0437 5.0437 5.2188 5.2199 5.2199 5.2260 5.6256 5.6256 5.7033 5.7033 5.9174 5.9174 6.7533 6.7613 6.7613 6.7882 6.8984 6.8984 7.9524 7.9524 8.0568 8.0568 8.9291 8.9291 9.0008 9.0467 10.4427 10.4427 11.2455 11.2459 11.2459 11.2563 11.7080 11.7080 11.9350 11.9350 11.9761 11.9804 12.5670 12.5670 12.5975 12.6040 k = 0.0000 0.0000 0.3424 ( 6821 PWs) bands (ev): -31.3568 -31.3568 -31.3437 -31.3437 -31.3437 -31.3437 -12.6772 -12.6772 -12.6693 -12.6683 -12.6240 -12.6240 -12.3269 -12.3269 -12.3196 -12.3196 -12.2762 -12.2747 -12.2587 -12.2587 -12.2475 -12.2475 -12.2124 -12.2121 -1.6152 -1.6152 -1.0238 -1.0238 -0.7187 -0.7187 3.7910 3.7910 4.0661 4.0840 4.2215 4.2215 4.2453 4.3334 4.3334 4.4538 4.5008 4.5008 4.6402 4.6402 4.6838 4.7866 4.7866 4.9422 5.0178 5.0284 5.0284 5.0295 5.0435 5.0435 5.2178 5.2225 5.2225 5.2280 5.6366 5.6366 5.7153 5.7161 5.9167 5.9167 6.7880 6.7891 6.7891 6.7974 6.7974 6.8221 7.9100 7.9100 7.9588 7.9588 8.8764 8.8764 8.9444 8.9940 10.5018 10.5018 11.2368 11.2383 11.2383 11.2476 11.7993 11.7993 11.9304 11.9304 11.9708 11.9763 12.5312 12.5312 12.5587 12.5640 k = 0.0000 0.0000 0.3652 ( 6821 PWs) bands (ev): -31.3568 -31.3568 -31.3436 -31.3436 -31.3436 -31.3436 -12.6773 -12.6773 -12.6695 -12.6684 -12.6248 -12.6248 -12.3267 -12.3267 -12.3197 -12.3197 -12.2773 -12.2758 -12.2597 -12.2597 -12.2486 -12.2486 -12.2124 -12.2121 -1.5920 -1.5920 -1.0163 -1.0163 -0.7202 -0.7202 3.7863 3.7863 4.0707 4.0897 4.2256 4.2256 4.2412 4.3386 4.3386 4.4421 4.5038 4.5038 4.6403 4.6403 4.7037 4.7913 4.7913 4.9417 5.0284 5.0284 5.0320 5.0338 5.0436 5.0436 5.2165 5.2252 5.2252 5.2304 5.6493 5.6493 5.7288 5.7301 5.9159 5.9159 6.6835 6.6835 6.8245 6.8331 6.8331 6.8573 7.8335 7.8335 7.8960 7.8960 8.8204 8.8204 8.8846 8.9378 10.5638 10.5638 11.2301 11.2324 11.2324 11.2408 11.8772 11.8772 11.9305 11.9305 11.9586 11.9656 12.5027 12.5027 12.5272 12.5312 k = 0.0000 0.0000 0.3881 ( 6809 PWs) bands (ev): -31.3567 -31.3567 -31.3436 -31.3436 -31.3436 -31.3436 -12.6773 -12.6773 -12.6697 -12.6686 -12.6256 -12.6256 -12.3266 -12.3266 -12.3198 -12.3198 -12.2783 -12.2768 -12.2606 -12.2606 -12.2496 -12.2496 -12.2124 -12.2121 -1.5680 -1.5680 -1.0089 -1.0089 -0.7216 -0.7216 3.7815 3.7815 4.0753 4.0952 4.2295 4.2295 4.2371 4.3443 4.3443 4.4291 4.5049 4.5049 4.6420 4.6420 4.7253 4.7957 4.7957 4.9412 5.0285 5.0285 5.0386 5.0443 5.0443 5.0458 5.2153 5.2281 5.2281 5.2334 5.6638 5.6638 5.7441 5.7456 5.9148 5.9148 6.5796 6.5796 6.8626 6.8706 6.8706 6.8937 7.7352 7.7352 7.8570 7.8570 8.7613 8.7613 8.8215 8.8783 10.6286 10.6286 11.2250 11.2282 11.2282 11.2358 11.8864 11.8864 11.9397 11.9483 11.9906 11.9906 12.4814 12.4814 12.5031 12.5058 k = 0.0000 0.0000 0.4109 ( 6803 PWs) bands (ev): -31.3566 -31.3566 -31.3435 -31.3435 -31.3435 -31.3435 -12.6774 -12.6774 -12.6700 -12.6688 -12.6264 -12.6264 -12.3265 -12.3265 -12.3199 -12.3199 -12.2794 -12.2779 -12.2616 -12.2616 -12.2506 -12.2506 -12.2123 -12.2120 -1.5432 -1.5432 -1.0016 -1.0016 -0.7231 -0.7231 3.7767 3.7767 4.0799 4.1006 4.2330 4.2334 4.2334 4.3503 4.3503 4.4152 4.5042 4.5042 4.6450 4.6450 4.7477 4.7997 4.7997 4.9408 5.0286 5.0286 5.0440 5.0457 5.0457 5.0591 5.2139 5.2311 5.2311 5.2368 5.6803 5.6803 5.7612 5.7625 5.9133 5.9133 6.4790 6.4790 6.9021 6.9088 6.9088 6.9312 7.6361 7.6361 7.8214 7.8214 8.6993 8.6993 8.7555 8.8158 10.6961 10.6961 11.2215 11.2254 11.2254 11.2324 11.8650 11.8650 11.9147 11.9249 12.0729 12.0729 12.4665 12.4665 12.4855 12.4871 k = 0.0000 0.0000 0.4337 ( 6809 PWs) bands (ev): -31.3565 -31.3565 -31.3434 -31.3434 -31.3434 -31.3434 -12.6775 -12.6775 -12.6702 -12.6691 -12.6273 -12.6273 -12.3263 -12.3263 -12.3201 -12.3201 -12.2805 -12.2790 -12.2625 -12.2625 -12.2516 -12.2516 -12.2123 -12.2120 -1.5179 -1.5179 -0.9945 -0.9945 -0.7246 -0.7246 3.7717 3.7717 4.0845 4.1058 4.2290 4.2372 4.2372 4.3567 4.3567 4.4009 4.5019 4.5019 4.6492 4.6492 4.7701 4.8031 4.8031 4.9404 5.0285 5.0285 5.0478 5.0478 5.0502 5.0715 5.2124 5.2343 5.2343 5.2406 5.6988 5.6988 5.7803 5.7811 5.9112 5.9112 6.3824 6.3824 6.9428 6.9476 6.9476 6.9694 7.5389 7.5389 7.7871 7.7871 8.6348 8.6348 8.6870 8.7506 10.7662 10.7662 11.2193 11.2238 11.2238 11.2303 11.8368 11.8368 11.8846 11.8965 12.1546 12.1546 12.4568 12.4568 12.4733 12.4738 k = 0.0000 0.0000 0.4565 ( 6779 PWs) bands (ev): -31.3564 -31.3564 -31.3433 -31.3433 -31.3433 -31.3433 -12.6775 -12.6775 -12.6704 -12.6692 -12.6281 -12.6281 -12.3262 -12.3262 -12.3202 -12.3202 -12.2815 -12.2800 -12.2633 -12.2633 -12.2526 -12.2526 -12.2122 -12.2119 -1.4920 -1.4920 -0.9877 -0.9877 -0.7261 -0.7261 3.7669 3.7669 4.0890 4.1108 4.2251 4.2408 4.2408 4.3635 4.3635 4.3865 4.4982 4.4982 4.6542 4.6542 4.7920 4.8059 4.8059 4.9400 5.0284 5.0284 5.0507 5.0507 5.0573 5.0831 5.2110 5.2375 5.2375 5.2451 5.7195 5.7195 5.8013 5.8015 5.9081 5.9081 6.2905 6.2905 6.9845 6.9863 6.9863 7.0082 7.4448 7.4448 7.7538 7.7538 8.5681 8.5681 8.6163 8.6831 10.8388 10.8388 11.2181 11.2233 11.2233 11.2294 11.8049 11.8049 11.8509 11.8644 12.2336 12.2336 12.4509 12.4509 12.4647 12.4650 k = 0.0000 0.0000 0.4794 ( 6779 PWs) bands (ev): -31.3563 -31.3563 -31.3433 -31.3433 -31.3433 -31.3433 -12.6776 -12.6776 -12.6706 -12.6695 -12.6290 -12.6290 -12.3261 -12.3261 -12.3203 -12.3203 -12.2826 -12.2811 -12.2642 -12.2642 -12.2535 -12.2535 -12.2122 -12.2119 -1.4659 -1.4659 -0.9813 -0.9813 -0.7276 -0.7276 3.7620 3.7620 4.0934 4.1154 4.2213 4.2442 4.2442 4.3705 4.3705 4.3722 4.4936 4.4936 4.6596 4.6596 4.8079 4.8079 4.8126 4.9395 5.0280 5.0280 5.0542 5.0542 5.0655 5.0935 5.2097 5.2407 5.2407 5.2500 5.7425 5.7425 5.8233 5.8249 5.9032 5.9032 6.2047 6.2047 7.0244 7.0244 7.0268 7.0474 7.3547 7.3547 7.7218 7.7218 8.4996 8.4996 8.5438 8.6137 10.9139 10.9139 11.2177 11.2238 11.2238 11.2294 11.7707 11.7707 11.8146 11.8298 12.3090 12.3091 12.4477 12.4477 12.4582 12.4593 k = 0.0000 0.0000 0.5022 ( 6773 PWs) bands (ev): -31.3563 -31.3563 -31.3432 -31.3432 -31.3432 -31.3432 -12.6776 -12.6776 -12.6708 -12.6697 -12.6298 -12.6298 -12.3260 -12.3260 -12.3205 -12.3205 -12.2836 -12.2821 -12.2651 -12.2651 -12.2544 -12.2544 -12.2121 -12.2118 -1.4396 -1.4396 -0.9753 -0.9753 -0.7290 -0.7290 3.7573 3.7573 4.0977 4.1198 4.2177 4.2475 4.2475 4.3581 4.3779 4.3779 4.4882 4.4882 4.6652 4.6652 4.8091 4.8091 4.8316 4.9389 5.0276 5.0276 5.0581 5.0581 5.0748 5.1028 5.2084 5.2438 5.2438 5.2552 5.7676 5.7676 5.8472 5.8506 5.8949 5.8949 6.1271 6.1271 7.0597 7.0597 7.0696 7.0867 7.2705 7.2705 7.6909 7.6909 8.4297 8.4297 8.4700 8.5427 10.9910 10.9910 11.2178 11.2253 11.2253 11.2300 11.7353 11.7353 11.7769 11.7938 12.3798 12.3798 12.4471 12.4471 12.4532 12.4550 k = 0.0000 0.0000 0.5250 ( 6774 PWs) bands (ev): -31.3562 -31.3562 -31.3431 -31.3431 -31.3431 -31.3431 -12.6777 -12.6777 -12.6710 -12.6700 -12.6306 -12.6306 -12.3259 -12.3259 -12.3207 -12.3207 -12.2846 -12.2832 -12.2659 -12.2659 -12.2553 -12.2553 -12.2120 -12.2118 -1.4132 -1.4132 -0.9700 -0.9700 -0.7304 -0.7304 3.7527 3.7527 4.1019 4.1239 4.2143 4.2507 4.2507 4.3445 4.3856 4.3856 4.4824 4.4824 4.6706 4.6706 4.8093 4.8093 4.8486 4.9384 5.0270 5.0270 5.0624 5.0624 5.0852 5.1109 5.2074 5.2467 5.2467 5.2607 5.7948 5.7948 5.8729 5.8785 5.8799 5.8799 6.0615 6.0615 7.0840 7.0840 7.1125 7.1258 7.2007 7.2007 7.6615 7.6615 8.3589 8.3589 8.3953 8.4707 11.0695 11.0695 11.2183 11.2280 11.2280 11.2311 11.6995 11.6995 11.7387 11.7572 12.4307 12.4307 12.4487 12.4511 12.4629 12.4629 k = 0.0000 0.0000 0.5478 ( 6774 PWs) bands (ev): -31.3561 -31.3561 -31.3431 -31.3431 -31.3431 -31.3431 -12.6778 -12.6778 -12.6712 -12.6702 -12.6314 -12.6314 -12.3258 -12.3258 -12.3209 -12.3209 -12.2856 -12.2842 -12.2667 -12.2667 -12.2561 -12.2561 -12.2120 -12.2117 -1.3870 -1.3870 -0.9653 -0.9653 -0.7318 -0.7318 3.7483 3.7483 4.1059 4.1276 4.2112 4.2537 4.2537 4.3312 4.3935 4.3935 4.4764 4.4764 4.6758 4.6758 4.8084 4.8084 4.8634 4.9378 5.0264 5.0264 5.0669 5.0669 5.0964 5.1179 5.2067 5.2493 5.2493 5.2662 5.8225 5.8225 5.8545 5.8545 5.9004 5.9084 6.0134 6.0134 7.0631 7.0631 7.1553 7.1644 7.1795 7.1795 7.6337 7.6337 8.2877 8.2877 8.3201 8.3980 11.1469 11.1469 11.2189 11.2325 11.2344 11.2344 11.6639 11.6639 11.7007 11.7206 12.4360 12.4360 12.4443 12.4470 12.5198 12.5198 k = 0.0000 0.0000 0.5707 ( 6810 PWs) bands (ev): -31.3560 -31.3560 -31.3430 -31.3430 -31.3430 -31.3430 -12.6780 -12.6780 -12.6715 -12.6705 -12.6323 -12.6323 -12.3258 -12.3258 -12.3211 -12.3211 -12.2865 -12.2852 -12.2675 -12.2675 -12.2569 -12.2569 -12.2120 -12.2117 -1.3612 -1.3612 -0.9613 -0.9613 -0.7331 -0.7331 3.7440 3.7440 4.1097 4.1309 4.2084 4.2564 4.2564 4.3184 4.4015 4.4015 4.4704 4.4704 4.6806 4.6806 4.8064 4.8064 4.8760 4.9370 5.0257 5.0257 5.0713 5.0713 5.1082 5.1238 5.2065 5.2515 5.2515 5.2715 5.8096 5.8096 5.8577 5.8577 5.9296 5.9402 5.9849 5.9849 7.0009 7.0009 7.1977 7.2024 7.2027 7.2027 7.6075 7.6075 8.2165 8.2165 8.2451 8.3252 11.2040 11.2040 11.2196 11.2339 11.2633 11.2633 11.6289 11.6289 11.6632 11.6846 12.4340 12.4340 12.4394 12.4424 12.5784 12.5784 k = 0.0000 0.0000 0.5935 ( 6822 PWs) bands (ev): -31.3560 -31.3560 -31.3430 -31.3430 -31.3430 -31.3430 -12.6781 -12.6781 -12.6717 -12.6708 -12.6330 -12.6330 -12.3258 -12.3258 -12.3214 -12.3214 -12.2874 -12.2862 -12.2682 -12.2682 -12.2575 -12.2575 -12.2119 -12.2117 -1.3359 -1.3359 -0.9581 -0.9581 -0.7344 -0.7344 3.7401 3.7401 4.1133 4.1337 4.2060 4.2590 4.2590 4.3063 4.4096 4.4096 4.4647 4.4647 4.6849 4.6849 4.8032 4.8032 4.8865 4.9364 5.0250 5.0250 5.0758 5.0758 5.1198 5.1287 5.2071 5.2531 5.2531 5.2764 5.7627 5.7627 5.8885 5.8885 5.9604 5.9711 5.9711 5.9735 6.9330 6.9330 7.2349 7.2349 7.2393 7.2394 7.5833 7.5833 8.1460 8.1460 8.1707 8.2528 11.2192 11.2192 11.2203 11.2355 11.3360 11.3360 11.5951 11.5951 11.6269 11.6495 12.4306 12.4306 12.4340 12.4373 12.6323 12.6323 k = 0.0000 0.0000 0.6163 ( 6834 PWs) bands (ev): -31.3559 -31.3559 -31.3429 -31.3429 -31.3429 -31.3429 -12.6782 -12.6782 -12.6719 -12.6710 -12.6337 -12.6337 -12.3258 -12.3258 -12.3216 -12.3216 -12.2883 -12.2871 -12.2689 -12.2689 -12.2582 -12.2582 -12.2119 -12.2117 -1.3112 -1.3112 -0.9557 -0.9557 -0.7355 -0.7355 3.7364 3.7364 4.1168 4.1361 4.2041 4.2614 4.2614 4.2947 4.4176 4.4176 4.4595 4.4595 4.6887 4.6887 4.7988 4.7988 4.8951 4.9356 5.0243 5.0243 5.0800 5.0800 5.1308 5.1330 5.2089 5.2540 5.2540 5.2809 5.7144 5.7144 5.9184 5.9184 5.9673 5.9673 5.9926 6.0079 6.8673 6.8673 7.2679 7.2679 7.2748 7.2801 7.5610 7.5610 8.0768 8.0768 8.0975 8.1813 11.2209 11.2238 11.2238 11.2369 11.4211 11.4211 11.5625 11.5625 11.5920 11.6157 12.4263 12.4263 12.4281 12.4316 12.6796 12.6796 k = 0.0000 0.0000 0.6392 ( 6828 PWs) bands (ev): -31.3559 -31.3559 -31.3429 -31.3429 -31.3429 -31.3429 -12.6783 -12.6783 -12.6720 -12.6712 -12.6344 -12.6344 -12.3257 -12.3257 -12.3218 -12.3218 -12.2890 -12.2879 -12.2694 -12.2694 -12.2588 -12.2588 -12.2118 -12.2117 -1.2876 -1.2876 -0.9541 -0.9541 -0.7366 -0.7366 3.7331 3.7331 4.1200 4.1381 4.2028 4.2636 4.2636 4.2839 4.4250 4.4250 4.4555 4.4555 4.6920 4.6920 4.7933 4.7933 4.9022 4.9349 5.0237 5.0237 5.0841 5.0841 5.1366 5.1402 5.2123 5.2540 5.2540 5.2847 5.6693 5.6693 5.9385 5.9385 5.9779 5.9779 6.0257 6.0429 6.8058 6.8058 7.2998 7.2998 7.3089 7.3197 7.5409 7.5409 8.0095 8.0095 8.0262 8.1113 11.2216 11.2266 11.2266 11.2384 11.5088 11.5088 11.5321 11.5321 11.5589 11.5833 12.4212 12.4212 12.4220 12.4255 12.7186 12.7186 k = 0.0000 0.0000 0.6620 ( 6834 PWs) bands (ev): -31.3558 -31.3558 -31.3428 -31.3428 -31.3428 -31.3428 -12.6783 -12.6783 -12.6721 -12.6714 -12.6350 -12.6350 -12.3257 -12.3257 -12.3220 -12.3220 -12.2896 -12.2887 -12.2700 -12.2700 -12.2593 -12.2593 -12.2118 -12.2116 -1.2650 -1.2650 -0.9534 -0.9534 -0.7376 -0.7376 3.7301 3.7301 4.1230 4.1396 4.2020 4.2656 4.2656 4.2737 4.4306 4.4306 4.4538 4.4538 4.6947 4.6947 4.7867 4.7867 4.9078 4.9342 5.0230 5.0230 5.0877 5.0877 5.1396 5.1474 5.2175 5.2531 5.2531 5.2877 5.6293 5.6293 5.9441 5.9441 6.0051 6.0051 6.0592 6.0778 6.7492 6.7492 7.3296 7.3296 7.3411 7.3578 7.5232 7.5232 7.9449 7.9449 7.9574 8.0434 11.2223 11.2290 11.2290 11.2397 11.5014 11.5014 11.5278 11.5526 11.6003 11.6003 12.4159 12.4159 12.4159 12.4193 12.7470 12.7470 k = 0.0000 0.0000 0.6848 ( 6834 PWs) bands (ev): -31.3558 -31.3558 -31.3428 -31.3428 -31.3428 -31.3428 -12.6784 -12.6784 -12.6723 -12.6716 -12.6356 -12.6356 -12.3257 -12.3257 -12.3221 -12.3221 -12.2902 -12.2894 -12.2704 -12.2704 -12.2597 -12.2597 -12.2117 -12.2116 -1.2439 -1.2439 -0.9534 -0.9534 -0.7385 -0.7385 3.7275 3.7275 4.1258 4.1407 4.2019 4.2642 4.2674 4.2674 4.4326 4.4326 4.4560 4.4560 4.6968 4.6968 4.7794 4.7794 4.9124 4.9334 5.0224 5.0224 5.0911 5.0911 5.1423 5.1525 5.2243 5.2512 5.2512 5.2899 5.5952 5.5952 5.9451 5.9451 6.0373 6.0373 6.0926 6.1118 6.6980 6.6980 7.3566 7.3566 7.3714 7.3943 7.5081 7.5081 7.8839 7.8839 7.8918 7.9782 11.2232 11.2313 11.2313 11.2410 11.4739 11.4739 11.4990 11.5239 11.6916 11.6916 12.4099 12.4104 12.4104 12.4132 12.7624 12.7624 k = 0.0000 0.0000 0.7076 ( 6840 PWs) bands (ev): -31.3557 -31.3557 -31.3428 -31.3428 -31.3428 -31.3428 -12.6785 -12.6785 -12.6724 -12.6718 -12.6361 -12.6361 -12.3257 -12.3257 -12.3223 -12.3223 -12.2907 -12.2900 -12.2709 -12.2709 -12.2601 -12.2601 -12.2117 -12.2116 -1.2245 -1.2245 -0.9541 -0.9541 -0.7393 -0.7393 3.7252 3.7252 4.1284 4.1414 4.2023 4.2555 4.2690 4.2690 4.4315 4.4315 4.4616 4.4616 4.6982 4.6982 4.7716 4.7716 4.9160 4.9327 5.0219 5.0219 5.0940 5.0940 5.1446 5.1555 5.2324 5.2485 5.2485 5.2911 5.5673 5.5673 5.9454 5.9454 6.0695 6.0695 6.1249 6.1440 6.6527 6.6527 7.3802 7.3802 7.3998 7.4291 7.4961 7.4961 7.8274 7.8274 7.8302 7.9164 11.2245 11.2339 11.2339 11.2421 11.4484 11.4484 11.4731 11.4972 11.7833 11.7833 12.4044 12.4051 12.4051 12.4074 12.7620 12.7620 k = 0.0000 0.0000 0.7305 ( 6864 PWs) bands (ev): -31.3557 -31.3557 -31.3427 -31.3427 -31.3427 -31.3427 -12.6786 -12.6786 -12.6725 -12.6720 -12.6365 -12.6365 -12.3257 -12.3257 -12.3225 -12.3225 -12.2912 -12.2906 -12.2712 -12.2712 -12.2605 -12.2605 -12.2117 -12.2115 -1.2071 -1.2071 -0.9554 -0.9554 -0.7400 -0.7400 3.7233 3.7233 4.1307 4.1417 4.2033 4.2474 4.2704 4.2704 4.4292 4.4292 4.4685 4.4685 4.6989 4.6989 4.7638 4.7638 4.9189 4.9319 5.0213 5.0213 5.0965 5.0965 5.1467 5.1569 5.2410 5.2452 5.2452 5.2914 5.5452 5.5452 5.9456 5.9456 6.0996 6.0996 6.1555 6.1734 6.6137 6.6137 7.3994 7.3994 7.4262 7.4621 7.4876 7.4876 7.7733 7.7763 7.7763 7.8586 11.2261 11.2367 11.2367 11.2431 11.4253 11.4253 11.4503 11.4731 11.8746 11.8746 12.3996 12.4003 12.4003 12.4022 12.7444 12.7444 k = 0.0000 0.0000 0.7533 ( 6852 PWs) bands (ev): -31.3556 -31.3556 -31.3427 -31.3427 -31.3427 -31.3427 -12.6786 -12.6786 -12.6725 -12.6721 -12.6368 -12.6368 -12.3257 -12.3257 -12.3226 -12.3226 -12.2915 -12.2910 -12.2715 -12.2715 -12.2608 -12.2608 -12.2116 -12.2115 -1.1921 -1.1921 -0.9571 -0.9571 -0.7406 -0.7406 3.7217 3.7217 4.1329 4.1417 4.2050 4.2400 4.2715 4.2715 4.4269 4.4269 4.4754 4.4754 4.6989 4.6989 4.7566 4.7566 4.9213 4.9311 5.0209 5.0209 5.0986 5.0986 5.1485 5.1575 5.2417 5.2417 5.2496 5.2907 5.5284 5.5284 5.9459 5.9459 6.1265 6.1265 6.1831 6.1989 6.5812 6.5812 7.4133 7.4133 7.4512 7.4833 7.4833 7.4934 7.7220 7.7319 7.7319 7.8052 11.2283 11.2398 11.2398 11.2438 11.4051 11.4051 11.4314 11.4518 11.9641 11.9641 12.3955 12.3961 12.3961 12.3977 12.7107 12.7107 k = 0.0000 0.0000 0.7761 ( 6846 PWs) bands (ev): -31.3556 -31.3556 -31.3427 -31.3427 -31.3427 -31.3427 -12.6786 -12.6786 -12.6725 -12.6722 -12.6371 -12.6371 -12.3257 -12.3257 -12.3227 -12.3227 -12.2917 -12.2914 -12.2717 -12.2717 -12.2610 -12.2610 -12.2116 -12.2115 -1.1798 -1.1798 -0.9588 -0.9588 -0.7410 -0.7410 3.7205 3.7205 4.1347 4.1414 4.2072 4.2334 4.2724 4.2724 4.4250 4.4250 4.4816 4.4816 4.6984 4.6984 4.7506 4.7506 4.9233 4.9303 5.0205 5.0205 5.1003 5.1003 5.1503 5.1573 5.2385 5.2385 5.2578 5.2890 5.5164 5.5164 5.9461 5.9461 6.1489 6.1489 6.2067 6.2196 6.5556 6.5556 7.4216 7.4216 7.4750 7.4834 7.4834 7.5225 7.6774 7.6952 7.6952 7.7566 11.2309 11.2430 11.2430 11.2440 11.3881 11.3881 11.4167 11.4336 12.0496 12.0496 12.3923 12.3924 12.3924 12.3941 12.6646 12.6646 k = 0.0000 0.0000 0.7989 ( 6846 PWs) bands (ev): -31.3556 -31.3556 -31.3427 -31.3427 -31.3427 -31.3427 -12.6787 -12.6787 -12.6725 -12.6723 -12.6373 -12.6373 -12.3257 -12.3257 -12.3227 -12.3227 -12.2919 -12.2917 -12.2719 -12.2719 -12.2611 -12.2611 -12.2115 -12.2115 -1.1706 -1.1706 -0.9603 -0.9603 -0.7413 -0.7413 3.7196 3.7196 4.1364 4.1409 4.2100 4.2274 4.2730 4.2730 4.4235 4.4235 4.4865 4.4865 4.6974 4.6974 4.7462 4.7462 4.9249 4.9294 5.0202 5.0202 5.1015 5.1015 5.1519 5.1567 5.2359 5.2359 5.2653 5.2863 5.5083 5.5083 5.9464 5.9464 6.1657 6.1657 6.2253 6.2345 6.5372 6.5372 7.4254 7.4254 7.4862 7.4862 7.4983 7.5474 7.6424 7.6676 7.6676 7.7131 11.2339 11.2435 11.2460 11.2460 11.3750 11.3750 11.4069 11.4191 12.1269 12.1269 12.3895 12.3895 12.3901 12.3913 12.6134 12.6134 k = 0.0000 0.0000 0.8218 ( 6846 PWs) bands (ev): -31.3556 -31.3556 -31.3427 -31.3427 -31.3427 -31.3427 -12.6787 -12.6787 -12.6725 -12.6724 -12.6374 -12.6374 -12.3257 -12.3257 -12.3228 -12.3228 -12.2920 -12.2919 -12.2719 -12.2719 -12.2612 -12.2612 -12.2115 -12.2115 -1.1649 -1.1649 -0.9614 -0.9614 -0.7415 -0.7415 3.7191 3.7191 4.1379 4.1401 4.2134 4.2221 4.2734 4.2734 4.4225 4.4225 4.4897 4.4897 4.6965 4.6965 4.7436 4.7436 4.9262 4.9284 5.0201 5.0201 5.1022 5.1022 5.1533 5.1558 5.2342 5.2342 5.2720 5.2825 5.5038 5.5038 5.9465 5.9465 6.1762 6.1762 6.2380 6.2427 6.5261 6.5261 7.4267 7.4267 7.4893 7.4893 7.5217 7.5579 7.6278 7.6502 7.6502 7.6750 11.2369 11.2421 11.2482 11.2482 11.3667 11.3667 11.4022 11.4087 12.1863 12.1863 12.3872 12.3872 12.3889 12.3895 12.5689 12.5689 k = 0.0000 0.0000 0.8446 ( 6882 PWs) bands (ev): -31.3556 -31.3556 -31.3427 -31.3427 -31.3427 -31.3427 -12.6787 -12.6787 -12.6725 -12.6725 -12.6375 -12.6375 -12.3258 -12.3258 -12.3228 -12.3228 -12.2920 -12.2920 -12.2720 -12.2720 -12.2613 -12.2613 -12.2116 -12.2116 -1.1630 -1.1630 -0.9618 -0.9618 -0.7416 -0.7416 3.7189 3.7189 4.1390 4.1390 4.2174 4.2174 4.2735 4.2735 4.4222 4.4222 4.4907 4.4907 4.6961 4.6961 4.7427 4.7427 4.9274 4.9274 5.0200 5.0200 5.1024 5.1024 5.1546 5.1546 5.2335 5.2335 5.2777 5.2777 5.5022 5.5022 5.9466 5.9466 6.1798 6.1798 6.2438 6.2438 6.5223 6.5223 7.4270 7.4270 7.4906 7.4906 7.5442 7.5442 7.6438 7.6438 7.6443 7.6443 11.2398 11.2398 11.2490 11.2490 11.3638 11.3638 11.4029 11.4029 12.2104 12.2104 12.3861 12.3861 12.3887 12.3887 12.5500 12.5500 k = 0.0000 0.0000 0.8446 ( 6882 PWs) bands (ev): -31.3556 -31.3556 -31.3427 -31.3427 -31.3427 -31.3427 -12.6787 -12.6787 -12.6725 -12.6725 -12.6375 -12.6375 -12.3258 -12.3258 -12.3228 -12.3228 -12.2920 -12.2920 -12.2720 -12.2720 -12.2613 -12.2613 -12.2116 -12.2116 -1.1630 -1.1630 -0.9618 -0.9618 -0.7416 -0.7416 3.7189 3.7189 4.1390 4.1390 4.2174 4.2174 4.2735 4.2735 4.4222 4.4222 4.4907 4.4907 4.6961 4.6961 4.7427 4.7427 4.9274 4.9274 5.0200 5.0200 5.1024 5.1024 5.1546 5.1546 5.2335 5.2335 5.2777 5.2777 5.5022 5.5022 5.9466 5.9466 6.1798 6.1798 6.2438 6.2438 6.5223 6.5223 7.4270 7.4270 7.4906 7.4906 7.5442 7.5442 7.6438 7.6438 7.6443 7.6443 11.2398 11.2398 11.2490 11.2490 11.3638 11.3638 11.4029 11.4029 12.2104 12.2104 12.3861 12.3861 12.3887 12.3887 12.5500 12.5500 k = 0.0192 0.0111 0.8446 ( 6858 PWs) bands (ev): -31.3556 -31.3556 -31.3427 -31.3427 -31.3427 -31.3427 -12.6787 -12.6787 -12.6725 -12.6725 -12.6375 -12.6375 -12.3258 -12.3257 -12.3227 -12.3227 -12.2920 -12.2920 -12.2721 -12.2721 -12.2612 -12.2612 -12.2116 -12.2116 -1.1629 -1.1629 -0.9615 -0.9615 -0.7418 -0.7418 3.7180 3.7180 4.1396 4.1396 4.2173 4.2174 4.2738 4.2738 4.4210 4.4211 4.4919 4.4920 4.6960 4.6961 4.7426 4.7426 4.9262 4.9263 5.0201 5.0201 5.1016 5.1017 5.1544 5.1546 5.2345 5.2345 5.2784 5.2785 5.5005 5.5005 5.9411 5.9414 6.1828 6.1832 6.2473 6.2480 6.5214 6.5214 7.4179 7.4183 7.4950 7.4957 7.5468 7.5471 7.6441 7.6443 7.6496 7.6499 11.2413 11.2414 11.2510 11.2510 11.3604 11.3605 11.3998 11.3999 12.1892 12.1892 12.3877 12.3881 12.4111 12.4115 12.5492 12.5492 k = 0.0385 0.0222 0.8446 ( 6850 PWs) bands (ev): -31.3555 -31.3555 -31.3427 -31.3427 -31.3427 -31.3427 -12.6786 -12.6786 -12.6724 -12.6724 -12.6375 -12.6375 -12.3258 -12.3258 -12.3224 -12.3223 -12.2920 -12.2920 -12.2723 -12.2722 -12.2612 -12.2611 -12.2118 -12.2118 -1.1628 -1.1628 -0.9608 -0.9608 -0.7423 -0.7423 3.7154 3.7154 4.1409 4.1410 4.2170 4.2171 4.2744 4.2747 4.4174 4.4179 4.4951 4.4957 4.6958 4.6962 4.7423 4.7425 4.9227 4.9234 5.0204 5.0204 5.0991 5.0999 5.1535 5.1549 5.2370 5.2376 5.2803 5.2811 5.4951 5.4953 5.9253 5.9271 6.1906 6.1940 6.2561 6.2610 6.5186 6.5187 7.3963 7.3981 7.5019 7.5057 7.5543 7.5561 7.6500 7.6507 7.6605 7.6617 11.2457 11.2461 11.2567 11.2570 11.3484 11.3489 11.3924 11.3932 12.1440 12.1442 12.3891 12.3899 12.4636 12.4644 12.5468 12.5473 k = 0.0577 0.0333 0.8446 ( 6834 PWs) bands (ev): -31.3555 -31.3555 -31.3427 -31.3427 -31.3427 -31.3427 -12.6784 -12.6784 -12.6723 -12.6723 -12.6376 -12.6376 -12.3259 -12.3257 -12.3220 -12.3218 -12.2919 -12.2919 -12.2726 -12.2725 -12.2611 -12.2610 -12.2122 -12.2122 -1.1625 -1.1625 -0.9595 -0.9595 -0.7431 -0.7431 3.7111 3.7111 4.1430 4.1434 4.2164 4.2167 4.2754 4.2764 4.4121 4.4134 4.4994 4.5013 4.6953 4.6964 4.7418 4.7425 4.9167 4.9189 5.0205 5.0207 5.0954 5.0978 5.1520 5.1558 5.2404 5.2423 5.2831 5.2856 5.4867 5.4870 5.9011 5.9063 6.2012 6.2121 6.2673 6.2823 6.5140 6.5142 7.3683 7.3723 7.5066 7.5153 7.5661 7.5705 7.6617 7.6629 7.6765 7.6791 11.2521 11.2537 11.2657 11.2669 11.3247 11.3255 11.3850 11.3869 12.0934 12.0936 12.3914 12.3927 12.5217 12.5227 12.5485 12.5498 k = 0.0769 0.0444 0.8446 ( 6826 PWs) bands (ev): -31.3554 -31.3554 -31.3428 -31.3428 -31.3427 -31.3427 -12.6783 -12.6782 -12.6722 -12.6721 -12.6378 -12.6378 -12.3261 -12.3256 -12.3216 -12.3210 -12.2918 -12.2918 -12.2730 -12.2729 -12.2610 -12.2608 -12.2127 -12.2127 -1.1621 -1.1621 -0.9577 -0.9577 -0.7443 -0.7443 3.7051 3.7051 4.1457 4.1466 4.2154 4.2162 4.2766 4.2791 4.4056 4.4080 4.5045 4.5084 4.6940 4.6967 4.7412 4.7425 4.9082 4.9135 5.0202 5.0209 5.0914 5.0958 5.1497 5.1573 5.2436 5.2482 5.2868 5.2920 5.4758 5.4763 5.8708 5.8812 6.2131 6.2373 6.2787 6.3108 6.5076 6.5080 7.3367 7.3431 7.5092 7.5232 7.5806 7.5878 7.6786 7.6806 7.6975 7.7023 11.2565 11.2619 11.2763 11.2799 11.2927 11.2935 11.3790 11.3817 12.0441 12.0442 12.3946 12.3964 12.5312 12.5332 12.6031 12.6035 k = 0.0962 0.0555 0.8446 ( 6826 PWs) bands (ev): -31.3553 -31.3553 -31.3429 -31.3429 -31.3427 -31.3427 -12.6780 -12.6779 -12.6721 -12.6719 -12.6380 -12.6379 -12.3262 -12.3255 -12.3211 -12.3202 -12.2918 -12.2917 -12.2735 -12.2734 -12.2609 -12.2606 -12.2134 -12.2133 -1.1615 -1.1615 -0.9555 -0.9555 -0.7457 -0.7457 3.6975 3.6976 4.1487 4.1504 4.2142 4.2156 4.2780 4.2829 4.3985 4.4022 4.5099 4.5163 4.6918 4.6972 4.7405 4.7428 4.8975 4.9075 5.0195 5.0208 5.0877 5.0945 5.1471 5.1593 5.2464 5.2547 5.2912 5.3000 5.4632 5.4637 5.8365 5.8535 6.2249 6.2689 6.2886 6.3452 6.4995 6.5001 7.3026 7.3115 7.5108 7.5301 7.5961 7.6062 7.6997 7.7027 7.7243 7.7315 11.2326 11.2380 11.2785 11.2792 11.2941 11.2988 11.3736 11.3768 11.9990 11.9991 12.3986 12.4008 12.5242 12.5286 12.6746 12.6756 k = 0.1154 0.0666 0.8446 ( 6828 PWs) bands (ev): -31.3552 -31.3552 -31.3430 -31.3430 -31.3427 -31.3427 -12.6778 -12.6776 -12.6719 -12.6717 -12.6382 -12.6382 -12.3263 -12.3252 -12.3205 -12.3192 -12.2917 -12.2916 -12.2742 -12.2739 -12.2609 -12.2603 -12.2142 -12.2140 -1.1609 -1.1609 -0.9528 -0.9528 -0.7475 -0.7475 3.6885 3.6886 4.1517 4.1547 4.2126 4.2150 4.2795 4.2882 4.3914 4.3962 4.5153 4.5249 4.6884 4.6977 4.7400 4.7431 4.8848 4.9014 5.0183 5.0208 5.0848 5.0939 5.1444 5.1615 5.2487 5.2615 5.2962 5.3089 5.4498 5.4499 5.7999 5.8242 6.2358 6.2960 6.3067 6.3846 6.4897 6.4908 7.2666 7.2779 7.5123 7.5364 7.6113 7.6244 7.7239 7.7279 7.7572 7.7671 11.1817 11.1848 11.2851 11.2878 11.3118 11.3196 11.3684 11.3716 11.9601 11.9605 12.4033 12.4060 12.5157 12.5228 12.7490 12.7502 k = 0.1346 0.0777 0.8446 ( 6828 PWs) bands (ev): -31.3551 -31.3551 -31.3431 -31.3431 -31.3427 -31.3427 -12.6776 -12.6773 -12.6717 -12.6714 -12.6385 -12.6384 -12.3264 -12.3249 -12.3200 -12.3181 -12.2915 -12.2915 -12.2749 -12.2746 -12.2609 -12.2599 -12.2152 -12.2149 -1.1602 -1.1602 -0.9497 -0.9496 -0.7496 -0.7496 3.6781 3.6783 4.1545 4.1592 4.2107 4.2143 4.2809 4.2952 4.3846 4.3900 4.5205 4.5338 4.6837 4.6980 4.7399 4.7437 4.8708 4.8956 5.0170 5.0208 5.0827 5.0940 5.1416 5.1639 5.2505 5.2684 5.3018 5.3180 5.4349 5.4366 5.7619 5.7940 6.2448 6.3008 6.3499 6.4283 6.4783 6.4804 7.2292 7.2429 7.5140 7.5424 7.6257 7.6418 7.7504 7.7552 7.7962 7.8087 11.1229 11.1244 11.2904 11.2947 11.3319 11.3431 11.3641 11.3664 11.9293 11.9304 12.4086 12.4117 12.5065 12.5168 12.8247 12.8261 k = 0.1538 0.0888 0.8446 ( 6834 PWs) bands (ev): -31.3549 -31.3549 -31.3433 -31.3433 -31.3427 -31.3427 -12.6773 -12.6769 -12.6714 -12.6710 -12.6388 -12.6387 -12.3264 -12.3245 -12.3194 -12.3169 -12.2914 -12.2913 -12.2757 -12.2753 -12.2610 -12.2596 -12.2163 -12.2159 -1.1594 -1.1594 -0.9461 -0.9461 -0.7520 -0.7519 3.6665 3.6668 4.1569 4.1638 4.2085 4.2136 4.2821 4.3039 4.3786 4.3839 4.5256 4.5427 4.6778 4.6979 4.7403 4.7443 4.8562 4.8903 5.0159 5.0211 5.0812 5.0947 5.1389 5.1664 5.2520 5.2750 5.3079 5.3266 5.4195 5.4241 5.7235 5.7633 6.2518 6.3028 6.3979 6.4641 6.4658 6.4808 7.1908 7.2067 7.5161 7.5482 7.6390 7.6580 7.7786 7.7841 7.8403 7.8554 11.0598 11.0599 11.2917 11.2967 11.3452 11.3555 11.3692 11.3746 11.9081 11.9104 12.4142 12.4178 12.4973 12.5109 12.9011 12.9026 k = 0.1731 0.0999 0.8446 ( 6826 PWs) bands (ev): -31.3547 -31.3547 -31.3435 -31.3435 -31.3427 -31.3427 -12.6770 -12.6766 -12.6711 -12.6705 -12.6391 -12.6391 -12.3264 -12.3240 -12.3188 -12.3156 -12.2912 -12.2911 -12.2766 -12.2761 -12.2610 -12.2592 -12.2176 -12.2169 -1.1586 -1.1586 -0.9422 -0.9421 -0.7546 -0.7546 3.6539 3.6542 4.1588 4.1681 4.2059 4.2128 4.2829 4.3144 4.3740 4.3779 4.5303 4.5514 4.6711 4.6968 4.7413 4.7449 4.8422 4.8860 5.0153 5.0217 5.0801 5.0958 5.1364 5.1689 5.2531 5.2811 5.3143 5.3342 5.4038 5.4132 5.6854 5.7324 6.2565 6.3022 6.4439 6.4535 6.4586 6.5304 7.1519 7.1698 7.5187 7.5539 7.6512 7.6728 7.8082 7.8142 7.8882 7.9058 10.9935 10.9948 11.2873 11.2927 11.3414 11.3488 11.3932 11.4036 11.8977 11.9015 12.4199 12.4241 12.4885 12.5054 12.9775 12.9792 k = 0.1923 0.1110 0.8446 ( 6820 PWs) bands (ev): -31.3546 -31.3546 -31.3436 -31.3436 -31.3427 -31.3427 -12.6767 -12.6762 -12.6707 -12.6700 -12.6395 -12.6394 -12.3263 -12.3234 -12.3183 -12.3143 -12.2909 -12.2908 -12.2775 -12.2770 -12.2612 -12.2589 -12.2189 -12.2180 -1.1577 -1.1577 -0.9379 -0.9378 -0.7575 -0.7575 3.6404 3.6407 4.1601 4.1720 4.2032 4.2121 4.2829 4.3263 4.3710 4.3723 4.5348 4.5597 4.6641 4.6940 4.7427 4.7455 4.8301 4.8828 5.0154 5.0224 5.0791 5.0973 5.1342 5.1715 5.2539 5.2867 5.3210 5.3399 5.3880 5.4047 5.6480 5.7017 6.2591 6.2993 6.4346 6.4395 6.5098 6.5861 7.1127 7.1325 7.5218 7.5593 7.6624 7.6862 7.8388 7.8449 7.9386 7.9583 10.9271 10.9298 11.2768 11.2825 11.3323 11.3394 11.4236 11.4364 11.8984 11.9040 12.4257 12.4305 12.4805 12.5004 13.0534 13.0552 k = 0.2115 0.1221 0.8446 ( 6812 PWs) bands (ev): -31.3544 -31.3544 -31.3438 -31.3438 -31.3427 -31.3427 -12.6765 -12.6758 -12.6702 -12.6694 -12.6400 -12.6398 -12.3262 -12.3227 -12.3177 -12.3128 -12.2906 -12.2904 -12.2784 -12.2779 -12.2613 -12.2585 -12.2204 -12.2192 -1.1567 -1.1567 -0.9333 -0.9332 -0.7606 -0.7606 3.6262 3.6266 4.1608 4.1751 4.2002 4.2114 4.2818 4.3384 4.3683 4.3702 4.5389 4.5672 4.6574 4.6889 4.7444 4.7461 4.8210 4.8808 5.0161 5.0231 5.0780 5.0991 5.1322 5.1741 5.2542 5.2916 5.3273 5.3430 5.3726 5.3994 5.6119 5.6712 6.2597 6.2946 6.4187 6.4244 6.5706 6.6454 7.0738 7.0950 7.5254 7.5646 7.6726 7.6983 7.8699 7.8757 7.9897 8.0111 10.8628 10.8668 11.2604 11.2662 11.3209 11.3284 11.4571 11.4715 11.9092 11.9168 12.4312 12.4368 12.4736 12.4962 13.1279 13.1298 k = 0.2308 0.1332 0.8446 ( 6812 PWs) bands (ev): -31.3541 -31.3541 -31.3441 -31.3441 -31.3427 -31.3427 -12.6762 -12.6754 -12.6697 -12.6687 -12.6405 -12.6403 -12.3260 -12.3219 -12.3172 -12.3113 -12.2902 -12.2900 -12.2794 -12.2789 -12.2616 -12.2581 -12.2219 -12.2205 -1.1557 -1.1557 -0.9284 -0.9283 -0.7640 -0.7639 3.6115 3.6119 4.1611 4.1774 4.1970 4.2107 4.2795 4.3458 4.3704 4.3714 4.5428 4.5737 4.6518 4.6810 4.7464 4.7470 4.8156 4.8803 5.0175 5.0233 5.0767 5.1013 5.1306 5.1766 5.2541 5.2957 5.3317 5.3429 5.3589 5.3976 5.5777 5.6412 6.2586 6.2886 6.4018 6.4087 6.6351 6.7079 7.0353 7.0579 7.5295 7.5697 7.6820 7.7091 7.9012 7.9061 8.0399 8.0624 10.8026 10.8076 11.2392 11.2449 11.3081 11.3159 11.4927 11.5084 11.9286 11.9381 12.4362 12.4429 12.4682 12.4928 13.2001 13.2021 k = 0.2500 0.1443 0.8446 ( 6824 PWs) bands (ev): -31.3539 -31.3539 -31.3443 -31.3443 -31.3427 -31.3427 -12.6760 -12.6751 -12.6691 -12.6679 -12.6410 -12.6408 -12.3259 -12.3212 -12.3167 -12.3098 -12.2898 -12.2895 -12.2804 -12.2800 -12.2619 -12.2577 -12.2236 -12.2218 -1.1547 -1.1547 -0.9233 -0.9232 -0.7676 -0.7675 3.5965 3.5969 4.1611 4.1788 4.1937 4.2102 4.2761 4.3441 4.3746 4.3824 4.5464 4.5788 4.6481 4.6707 4.7484 4.7485 4.8138 4.8812 5.0194 5.0230 5.0750 5.1039 5.1295 5.1790 5.2535 5.2990 5.3280 5.3403 5.3527 5.3986 5.5460 5.6120 6.2561 6.2815 6.3843 6.3925 6.7027 6.7734 6.9978 7.0214 7.5340 7.5745 7.6907 7.7186 7.9322 7.9355 8.0874 8.1101 10.7485 10.7543 11.2144 11.2198 11.2943 11.3020 11.5299 11.5468 11.9547 11.9660 12.4402 12.4487 12.4648 12.4902 13.2688 13.2708 k = 0.2692 0.1554 0.8446 ( 6812 PWs) bands (ev): -31.3537 -31.3537 -31.3445 -31.3445 -31.3427 -31.3427 -12.6758 -12.6748 -12.6683 -12.6671 -12.6416 -12.6414 -12.3256 -12.3204 -12.3162 -12.3083 -12.2892 -12.2890 -12.2814 -12.2811 -12.2622 -12.2574 -12.2252 -12.2231 -1.1537 -1.1537 -0.9180 -0.9179 -0.7713 -0.7712 3.5814 3.5819 4.1610 4.1792 4.1905 4.2099 4.2716 4.3385 4.3793 4.3990 4.5499 4.5824 4.6468 4.6592 4.7504 4.7509 4.8148 4.8834 5.0217 5.0218 5.0730 5.1064 5.1294 5.1813 5.2525 5.3014 5.3142 5.3362 5.3557 5.4011 5.5174 5.5839 6.2525 6.2737 6.3667 6.3760 6.7731 6.8415 6.9617 6.9860 7.5389 7.5790 7.6987 7.7271 7.9622 7.9631 8.1306 8.1525 10.7024 10.7087 11.1874 11.1923 11.2796 11.2871 11.5683 11.5860 11.9854 11.9982 12.4430 12.4540 12.4636 12.4887 13.3319 13.3344 k = 0.2885 0.1665 0.8446 ( 6808 PWs) bands (ev): -31.3534 -31.3534 -31.3448 -31.3448 -31.3427 -31.3427 -12.6756 -12.6746 -12.6676 -12.6663 -12.6422 -12.6419 -12.3253 -12.3197 -12.3156 -12.3068 -12.2886 -12.2884 -12.2824 -12.2823 -12.2626 -12.2571 -12.2269 -12.2244 -1.1528 -1.1528 -0.9125 -0.9124 -0.7752 -0.7751 3.5665 3.5670 4.1608 4.1787 4.1872 4.2100 4.2663 4.3315 4.3852 4.4167 4.5535 4.5849 4.6476 4.6480 4.7529 4.7533 4.8178 4.8868 5.0199 5.0243 5.0705 5.1081 5.1308 5.1834 5.2510 5.2958 5.3038 5.3312 5.3612 5.4039 5.4926 5.5574 6.2482 6.2656 6.3492 6.3595 6.8456 6.9098 6.9295 6.9523 7.5441 7.5831 7.7061 7.7346 7.9881 7.9906 8.1681 8.1880 10.6659 10.6722 11.1595 11.1638 11.2641 11.2712 11.6073 11.6256 12.0188 12.0330 12.4448 12.4588 12.4644 12.4881 13.3105 13.3207 k = 0.3077 0.1776 0.8446 ( 6814 PWs) bands (ev): -31.3532 -31.3532 -31.3450 -31.3450 -31.3427 -31.3427 -12.6754 -12.6744 -12.6667 -12.6654 -12.6429 -12.6426 -12.3250 -12.3191 -12.3149 -12.3054 -12.2879 -12.2878 -12.2835 -12.2834 -12.2630 -12.2569 -12.2286 -12.2258 -1.1518 -1.1518 -0.9070 -0.9068 -0.7792 -0.7791 3.5520 3.5524 4.1607 4.1775 4.1841 4.2103 4.2604 4.3239 4.3917 4.4341 4.5577 4.5865 4.6369 4.6513 4.7555 4.7558 4.8224 4.8910 5.0171 5.0271 5.0676 5.1084 5.1340 5.1854 5.2491 5.2766 5.3042 5.3257 5.3666 5.4062 5.4723 5.5332 6.2433 6.2574 6.3321 6.3432 6.8932 6.9071 6.9332 6.9864 7.5493 7.5868 7.7130 7.7412 8.0095 8.0166 8.1988 8.2154 10.6405 10.6464 11.1316 11.1353 11.2479 11.2545 11.6465 11.6650 12.0534 12.0686 12.4461 12.4631 12.4666 12.4884 13.2257 13.2377 k = 0.3269 0.1887 0.8446 ( 6804 PWs) bands (ev): -31.3529 -31.3529 -31.3453 -31.3453 -31.3427 -31.3427 -12.6752 -12.6743 -12.6658 -12.6645 -12.6436 -12.6432 -12.3246 -12.3187 -12.3139 -12.3040 -12.2872 -12.2871 -12.2847 -12.2843 -12.2634 -12.2568 -12.2302 -12.2271 -1.1509 -1.1509 -0.9013 -0.9012 -0.7834 -0.7832 3.5381 3.5384 4.1607 4.1757 4.1813 4.2112 4.2539 4.3159 4.3985 4.4497 4.5634 4.5881 4.6280 4.6563 4.7582 4.7584 4.8278 4.8957 5.0138 5.0299 5.0642 5.1074 5.1389 5.1872 5.2468 5.2561 5.3039 5.3197 5.3713 5.4073 5.4569 5.5119 6.2381 6.2492 6.3158 6.3274 6.8630 6.8854 7.0011 7.0611 7.5547 7.5899 7.7194 7.7469 8.0259 8.0390 8.2224 8.2340 10.6268 10.6319 11.1045 11.1077 11.2311 11.2372 11.6851 11.7037 12.0879 12.1037 12.4477 12.4669 12.4692 12.4897 13.1369 13.1513 k = 0.3462 0.1999 0.8446 ( 6816 PWs) bands (ev): -31.3526 -31.3526 -31.3455 -31.3455 -31.3427 -31.3427 -12.6751 -12.6742 -12.6649 -12.6636 -12.6443 -12.6439 -12.3242 -12.3184 -12.3129 -12.3027 -12.2868 -12.2866 -12.2855 -12.2850 -12.2638 -12.2568 -12.2317 -12.2284 -1.1500 -1.1500 -0.8957 -0.8956 -0.7876 -0.7874 3.5249 3.5252 4.1609 4.1735 4.1788 4.2125 4.2470 4.3074 4.4053 4.4621 4.5715 4.5897 4.6211 4.6625 4.7607 4.7609 4.8339 4.9005 5.0102 5.0324 5.0603 5.1053 5.1447 5.1887 5.2353 5.2440 5.3027 5.3130 5.3748 5.4067 5.4464 5.4945 6.2327 6.2413 6.3006 6.3123 6.8352 6.8572 7.0790 7.1376 7.5600 7.5925 7.7253 7.7519 8.0356 8.0560 8.2393 8.2446 10.6251 10.6292 11.0790 11.0817 11.2137 11.2193 11.7227 11.7409 12.1211 12.1371 12.4499 12.4701 12.4718 12.4917 13.0464 13.0632 k = 0.3654 0.2110 0.8446 ( 6814 PWs) bands (ev): -31.3524 -31.3524 -31.3458 -31.3458 -31.3427 -31.3427 -12.6749 -12.6741 -12.6640 -12.6627 -12.6450 -12.6446 -12.3238 -12.3184 -12.3116 -12.3016 -12.2877 -12.2867 -12.2850 -12.2849 -12.2643 -12.2570 -12.2331 -12.2296 -1.1493 -1.1493 -0.8902 -0.8900 -0.7918 -0.7916 3.5128 3.5131 4.1612 4.1712 4.1770 4.2142 4.2398 4.2988 4.4120 4.4701 4.5828 4.5917 4.6168 4.6696 4.7630 4.7633 4.8403 4.9049 5.0065 5.0344 5.0564 5.1025 5.1509 5.1900 5.2153 5.2407 5.3008 5.3056 5.3770 5.4041 5.4407 5.4816 6.2274 6.2338 6.2868 6.2981 6.8102 6.8310 7.1583 7.2153 7.5651 7.5945 7.7307 7.7562 8.0369 8.0652 8.2490 8.2508 10.6348 10.6375 11.0555 11.0576 11.1959 11.2010 11.7584 11.7760 12.1522 12.1679 12.4529 12.4727 12.4743 12.4945 12.9560 12.9752 k = 0.3846 0.2221 0.8446 ( 6806 PWs) bands (ev): -31.3521 -31.3521 -31.3460 -31.3460 -31.3427 -31.3427 -12.6747 -12.6740 -12.6630 -12.6618 -12.6457 -12.6452 -12.3233 -12.3184 -12.3103 -12.3006 -12.2890 -12.2875 -12.2843 -12.2839 -12.2646 -12.2573 -12.2343 -12.2308 -1.1485 -1.1485 -0.8849 -0.8847 -0.7960 -0.7958 3.5018 3.5021 4.1613 4.1688 4.1760 4.2165 4.2325 4.2901 4.4185 4.4738 4.5938 4.5953 4.6165 4.6773 4.7647 4.7653 4.8468 4.9083 5.0031 5.0349 5.0533 5.0991 5.1567 5.1899 5.1985 5.2366 5.2977 5.2982 5.3779 5.3999 5.4388 5.4729 6.2223 6.2267 6.2747 6.2851 6.7884 6.8073 7.2381 7.2937 7.5701 7.5960 7.7356 7.7598 8.0279 8.0635 8.2505 8.2588 10.6544 10.6556 11.0345 11.0361 11.1777 11.1824 11.7918 11.8082 12.1804 12.1954 12.4566 12.4750 12.4764 12.4980 12.8680 12.8898 k = 0.4038 0.2332 0.8446 ( 6786 PWs) bands (ev): -31.3519 -31.3519 -31.3463 -31.3463 -31.3427 -31.3427 -12.6746 -12.6739 -12.6621 -12.6609 -12.6464 -12.6459 -12.3228 -12.3186 -12.3089 -12.2998 -12.2902 -12.2883 -12.2836 -12.2829 -12.2647 -12.2578 -12.2352 -12.2319 -1.1479 -1.1479 -0.8798 -0.8796 -0.8001 -0.7998 3.4923 3.4925 4.1613 4.1666 4.1761 4.2193 4.2252 4.2814 4.4249 4.4741 4.5960 4.6023 4.6256 4.6852 4.7660 4.7669 4.8533 4.9100 5.0003 5.0326 5.0524 5.0953 5.1618 5.1800 5.1945 5.2316 5.2903 5.2952 5.3781 5.3950 5.4396 5.4675 6.2175 6.2203 6.2645 6.2737 6.7698 6.7864 7.3177 7.3719 7.5747 7.5969 7.7398 7.7628 8.0079 8.0481 8.2525 8.2647 10.6815 10.6816 11.0162 11.0173 11.1593 11.1636 11.8221 11.8369 12.2053 12.2190 12.4608 12.4767 12.4784 12.5022 12.7849 12.8093 k = 0.4231 0.2443 0.8446 ( 6790 PWs) bands (ev): -31.3517 -31.3517 -31.3465 -31.3465 -31.3427 -31.3427 -12.6744 -12.6739 -12.6612 -12.6602 -12.6471 -12.6466 -12.3223 -12.3188 -12.3074 -12.2992 -12.2913 -12.2891 -12.2828 -12.2820 -12.2648 -12.2586 -12.2359 -12.2329 -1.1474 -1.1474 -0.8751 -0.8749 -0.8039 -0.8037 3.4843 3.4844 4.1610 4.1646 4.1774 4.2180 4.2227 4.2728 4.4309 4.4719 4.5979 4.6035 4.6424 4.6927 4.7666 4.7677 4.8596 4.9094 4.9983 5.0272 5.0541 5.0911 5.1656 5.1691 5.1955 5.2254 5.2841 5.2918 5.3779 5.3904 5.4420 5.4641 6.2131 6.2146 6.2564 6.2639 6.7548 6.7687 7.3962 7.4491 7.5790 7.5972 7.7432 7.7652 7.9774 8.0190 8.2564 8.2695 10.7121 10.7134 11.0010 11.0015 11.1410 11.1449 11.8485 11.8612 12.2263 12.2382 12.4658 12.4781 12.4802 12.5073 12.7093 12.7364 k = 0.4423 0.2554 0.8446 ( 6784 PWs) bands (ev): -31.3515 -31.3515 -31.3467 -31.3467 -31.3427 -31.3427 -12.6743 -12.6739 -12.6604 -12.6596 -12.6476 -12.6472 -12.3218 -12.3191 -12.3059 -12.2991 -12.2921 -12.2899 -12.2821 -12.2813 -12.2646 -12.2595 -12.2363 -12.2339 -1.1470 -1.1470 -0.8710 -0.8708 -0.8072 -0.8071 3.4779 3.4780 4.1606 4.1630 4.1798 4.2110 4.2267 4.2646 4.4369 4.4684 4.5996 4.6035 4.6607 4.6992 4.7666 4.7678 4.8659 4.9063 4.9975 5.0206 5.0574 5.0866 5.1622 5.1676 5.1968 5.2185 5.2800 5.2884 5.3779 5.3865 5.4451 5.4617 6.2093 6.2099 6.2504 6.2561 6.7434 6.7542 7.4721 7.5231 7.5829 7.5972 7.7457 7.7673 7.9387 7.9782 8.2617 8.2732 10.7440 10.7460 10.9889 10.9889 11.1236 11.1269 11.8704 11.8804 12.2433 12.2529 12.4713 12.4791 12.4824 12.5138 12.6435 12.6735 k = 0.4615 0.2665 0.8446 ( 6786 PWs) bands (ev): -31.3513 -31.3513 -31.3468 -31.3468 -31.3427 -31.3427 -12.6742 -12.6739 -12.6598 -12.6591 -12.6480 -12.6477 -12.3213 -12.3195 -12.3044 -12.2995 -12.2924 -12.2907 -12.2814 -12.2808 -12.2642 -12.2605 -12.2364 -12.2347 -1.1467 -1.1467 -0.8677 -0.8676 -0.8100 -0.8098 3.4733 3.4733 4.1602 4.1617 4.1833 4.2044 4.2314 4.2568 4.4426 4.4640 4.6009 4.6032 4.6776 4.7035 4.7662 4.7671 4.8723 4.9009 4.9980 5.0139 5.0616 5.0818 5.1593 5.1675 5.1983 5.2118 5.2782 5.2851 5.3781 5.3835 5.4485 5.4596 6.2063 6.2064 6.2464 6.2502 6.7358 6.7432 7.5432 7.5863 7.5864 7.6006 7.7476 7.7690 7.8964 7.9300 8.2673 8.2756 10.7728 10.7749 10.9798 10.9800 11.1083 11.1109 11.8871 11.8941 12.2561 12.2628 12.4764 12.4798 12.4870 12.5224 12.5896 12.6222 k = 0.4808 0.2776 0.8446 ( 6788 PWs) bands (ev): -31.3512 -31.3512 -31.3469 -31.3469 -31.3427 -31.3427 -12.6741 -12.6740 -12.6593 -12.6589 -12.6482 -12.6481 -12.3209 -12.3199 -12.3029 -12.3003 -12.2923 -12.2914 -12.2810 -12.2806 -12.2635 -12.2616 -12.2362 -12.2354 -1.1465 -1.1465 -0.8656 -0.8655 -0.8117 -0.8117 3.4705 3.4705 4.1600 4.1607 4.1876 4.1982 4.2368 4.2495 4.4483 4.4590 4.6018 4.6029 4.6913 4.7044 4.7657 4.7662 4.8791 4.8939 5.0000 5.0081 5.0664 5.0767 5.1597 5.1654 5.2001 5.2065 5.2782 5.2820 5.3787 5.3813 5.4518 5.4573 6.2043 6.2044 6.2444 6.2463 6.7320 6.7357 7.5892 7.5933 7.6049 7.6407 7.7519 7.7695 7.8601 7.8814 8.2719 8.2762 10.7936 10.7950 10.9743 10.9745 11.0977 11.0991 11.8981 11.9017 12.2645 12.2679 12.4790 12.4801 12.4979 12.5327 12.5506 12.5834 k = 0.5000 0.2887 0.8446 ( 6788 PWs) bands (ev): -31.3512 -31.3512 -31.3469 -31.3469 -31.3427 -31.3427 -12.6741 -12.6741 -12.6590 -12.6590 -12.6483 -12.6483 -12.3204 -12.3204 -12.3015 -12.3015 -12.2920 -12.2920 -12.2807 -12.2807 -12.2626 -12.2626 -12.2359 -12.2359 -1.1465 -1.1465 -0.8648 -0.8648 -0.8123 -0.8123 3.4695 3.4695 4.1602 4.1602 4.1926 4.1926 4.2428 4.2428 4.4538 4.4538 4.6025 4.6025 4.7004 4.7004 4.7656 4.7656 4.8864 4.8864 5.0033 5.0033 5.0716 5.0716 5.1623 5.1623 5.2027 5.2027 5.2796 5.2796 5.3797 5.3797 5.4547 5.4547 6.2037 6.2037 6.2444 6.2444 6.7320 6.7320 7.5917 7.5917 7.6447 7.6447 7.7639 7.7639 7.8505 7.8505 8.2750 8.2750 10.8018 10.8018 10.9726 10.9726 11.0942 11.0942 11.9031 11.9031 12.2685 12.2685 12.4799 12.4799 12.5165 12.5165 12.5562 12.5562 k = 0.5000 0.2887 0.8446 ( 6788 PWs) bands (ev): -31.3512 -31.3512 -31.3469 -31.3469 -31.3427 -31.3427 -12.6741 -12.6741 -12.6590 -12.6590 -12.6483 -12.6483 -12.3204 -12.3204 -12.3015 -12.3015 -12.2920 -12.2920 -12.2807 -12.2807 -12.2626 -12.2626 -12.2359 -12.2359 -1.1465 -1.1465 -0.8648 -0.8648 -0.8123 -0.8123 3.4695 3.4695 4.1602 4.1602 4.1926 4.1926 4.2428 4.2428 4.4538 4.4538 4.6025 4.6025 4.7004 4.7004 4.7656 4.7656 4.8864 4.8864 5.0033 5.0033 5.0716 5.0716 5.1623 5.1623 5.2027 5.2027 5.2796 5.2796 5.3797 5.3797 5.4547 5.4547 6.2037 6.2037 6.2444 6.2444 6.7320 6.7320 7.5917 7.5917 7.6447 7.6447 7.7639 7.7639 7.8505 7.8505 8.2750 8.2750 10.8018 10.8018 10.9726 10.9726 11.0942 11.0942 11.9031 11.9031 12.2685 12.2685 12.4799 12.4799 12.5165 12.5165 12.5562 12.5562 k = 0.4889 0.3079 0.8446 ( 6792 PWs) bands (ev): -31.3512 -31.3512 -31.3470 -31.3470 -31.3427 -31.3427 -12.6740 -12.6740 -12.6590 -12.6590 -12.6483 -12.6483 -12.3204 -12.3204 -12.3016 -12.3016 -12.2920 -12.2920 -12.2806 -12.2806 -12.2626 -12.2626 -12.2360 -12.2360 -1.1464 -1.1464 -0.8647 -0.8647 -0.8124 -0.8124 3.4692 3.4692 4.1603 4.1603 4.1931 4.1931 4.2429 4.2429 4.4531 4.4531 4.6031 4.6031 4.6980 4.6980 4.7671 4.7671 4.8856 4.8856 5.0013 5.0013 5.0732 5.0732 5.1611 5.1611 5.2048 5.2048 5.2796 5.2796 5.3794 5.3794 5.4544 5.4544 6.2083 6.2083 6.2457 6.2457 6.7291 6.7291 7.5934 7.5934 7.6426 7.6426 7.7625 7.7625 7.8395 7.8395 8.2863 8.2863 10.8046 10.8046 10.9720 10.9720 11.0965 11.0965 11.9038 11.9038 12.2679 12.2679 12.4802 12.4802 12.5156 12.5156 12.5541 12.5541 k = 0.4778 0.3272 0.8446 ( 6792 PWs) bands (ev): -31.3512 -31.3512 -31.3470 -31.3470 -31.3427 -31.3427 -12.6740 -12.6740 -12.6589 -12.6589 -12.6484 -12.6484 -12.3203 -12.3203 -12.3017 -12.3017 -12.2921 -12.2921 -12.2805 -12.2805 -12.2624 -12.2624 -12.2362 -12.2362 -1.1464 -1.1464 -0.8643 -0.8643 -0.8127 -0.8127 3.4681 3.4681 4.1606 4.1606 4.1947 4.1947 4.2430 4.2430 4.4513 4.4513 4.6046 4.6046 4.6914 4.6914 4.7710 4.7710 4.8832 4.8832 4.9960 4.9960 5.0774 5.0774 5.1582 5.1582 5.2105 5.2105 5.2797 5.2797 5.3788 5.3788 5.4533 5.4533 6.2210 6.2210 6.2507 6.2507 6.7206 6.7206 7.5986 7.5986 7.6362 7.6362 7.7567 7.7567 7.8120 7.8120 8.3166 8.3166 10.8130 10.8130 10.9704 10.9704 11.1033 11.1033 11.9060 11.9060 12.2660 12.2660 12.4813 12.4813 12.5122 12.5122 12.5482 12.5482 k = 0.4667 0.3464 0.8446 ( 6784 PWs) bands (ev): -31.3511 -31.3511 -31.3470 -31.3470 -31.3427 -31.3427 -12.6739 -12.6739 -12.6588 -12.6588 -12.6485 -12.6485 -12.3201 -12.3201 -12.3019 -12.3019 -12.2922 -12.2922 -12.2802 -12.2802 -12.2622 -12.2622 -12.2365 -12.2365 -1.1463 -1.1463 -0.8636 -0.8636 -0.8132 -0.8132 3.4663 3.4663 4.1611 4.1611 4.1973 4.1973 4.2433 4.2433 4.4486 4.4486 4.6059 4.6059 4.6827 4.6827 4.7763 4.7763 4.8793 4.8793 4.9893 4.9893 5.0828 5.0828 5.1547 5.1547 5.2181 5.2181 5.2799 5.2799 5.3777 5.3777 5.4517 5.4517 6.2353 6.2353 6.2656 6.2656 6.7069 6.7069 7.6064 7.6064 7.6254 7.6254 7.7357 7.7357 7.7860 7.7860 8.3590 8.3590 10.8269 10.8269 10.9678 10.9678 11.1144 11.1144 11.9097 11.9097 12.2629 12.2629 12.4831 12.4831 12.5051 12.5051 12.5405 12.5405 k = 0.4556 0.3657 0.8446 ( 6780 PWs) bands (ev): -31.3510 -31.3510 -31.3471 -31.3471 -31.3427 -31.3427 -12.6738 -12.6738 -12.6587 -12.6587 -12.6486 -12.6486 -12.3199 -12.3199 -12.3021 -12.3021 -12.2923 -12.2923 -12.2799 -12.2799 -12.2620 -12.2620 -12.2370 -12.2370 -1.1462 -1.1462 -0.8626 -0.8626 -0.8138 -0.8138 3.4639 3.4639 4.1619 4.1619 4.2008 4.2008 4.2438 4.2438 4.4452 4.4452 4.6053 4.6053 4.6745 4.6745 4.7821 4.7821 4.8742 4.8742 4.9826 4.9826 5.0884 5.0884 5.1511 5.1511 5.2263 5.2263 5.2804 5.2804 5.3763 5.3763 5.4496 5.4496 6.2444 6.2444 6.2964 6.2964 6.6886 6.6886 7.6086 7.6086 7.6162 7.6162 7.6935 7.6935 7.7756 7.7756 8.4073 8.4073 10.8462 10.8462 10.9641 10.9641 11.1295 11.1295 11.9153 11.9153 12.2586 12.2586 12.4848 12.4848 12.4927 12.4927 12.5332 12.5332 k = 0.4444 0.3849 0.8446 ( 6794 PWs) bands (ev): -31.3510 -31.3510 -31.3472 -31.3472 -31.3427 -31.3427 -12.6736 -12.6736 -12.6586 -12.6586 -12.6489 -12.6489 -12.3196 -12.3196 -12.3024 -12.3024 -12.2926 -12.2926 -12.2795 -12.2795 -12.2616 -12.2616 -12.2376 -12.2376 -1.1460 -1.1460 -0.8615 -0.8615 -0.8147 -0.8147 3.4610 3.4610 4.1627 4.1627 4.2049 4.2049 4.2445 4.2445 4.4413 4.4413 4.6001 4.6001 4.6696 4.6696 4.7880 4.7880 4.8684 4.8684 4.9765 4.9765 5.0937 5.0937 5.1477 5.1477 5.2342 5.2342 5.2813 5.2813 5.3746 5.3746 5.4471 5.4471 6.2515 6.2515 6.3394 6.3394 6.6666 6.6666 7.5840 7.5840 7.6180 7.6180 7.6542 7.6542 7.7714 7.7714 8.4577 8.4577 10.8707 10.8707 10.9596 10.9596 11.1483 11.1483 11.9228 11.9228 12.2529 12.2529 12.4716 12.4716 12.4892 12.4892 12.5273 12.5273 k = 0.4333 0.4041 0.8446 ( 6790 PWs) bands (ev): -31.3508 -31.3508 -31.3473 -31.3473 -31.3427 -31.3427 -12.6735 -12.6735 -12.6584 -12.6584 -12.6492 -12.6492 -12.3193 -12.3193 -12.3027 -12.3027 -12.2928 -12.2928 -12.2790 -12.2790 -12.2612 -12.2612 -12.2383 -12.2383 -1.1458 -1.1458 -0.8600 -0.8600 -0.8158 -0.8158 3.4577 3.4577 4.1638 4.1638 4.2095 4.2095 4.2456 4.2456 4.4372 4.4372 4.5894 4.5894 4.6696 4.6696 4.7939 4.7939 4.8621 4.8621 4.9715 4.9715 5.0984 5.0984 5.1447 5.1447 5.2411 5.2411 5.2827 5.2827 5.3726 5.3726 5.4445 5.4445 6.2589 6.2589 6.3911 6.3911 6.6416 6.6416 7.5426 7.5426 7.5924 7.5924 7.6527 7.6527 7.7689 7.7689 8.5076 8.5076 10.8996 10.8996 10.9547 10.9547 11.1700 11.1700 11.9325 11.9325 12.2460 12.2460 12.4477 12.4477 12.4922 12.4922 12.5217 12.5217 k = 0.4222 0.4234 0.8446 ( 6786 PWs) bands (ev): -31.3507 -31.3507 -31.3474 -31.3474 -31.3427 -31.3427 -12.6733 -12.6733 -12.6581 -12.6581 -12.6495 -12.6495 -12.3189 -12.3189 -12.3031 -12.3031 -12.2931 -12.2931 -12.2785 -12.2785 -12.2607 -12.2607 -12.2391 -12.2391 -1.1456 -1.1456 -0.8583 -0.8583 -0.8171 -0.8171 3.4541 3.4541 4.1650 4.1650 4.2142 4.2142 4.2474 4.2474 4.4329 4.4329 4.5745 4.5745 4.6735 4.6735 4.7995 4.7995 4.8558 4.8558 4.9675 4.9675 5.1026 5.1026 5.1420 5.1420 5.2466 5.2466 5.2849 5.2849 5.3704 5.3704 5.4419 5.4419 6.2673 6.2673 6.4502 6.4502 6.6147 6.6147 7.4871 7.4871 7.5636 7.5636 7.6645 7.6645 7.7671 7.7671 8.5551 8.5551 10.9291 10.9291 10.9534 10.9534 11.1939 11.1939 11.9445 11.9445 12.2377 12.2377 12.4207 12.4207 12.4953 12.4953 12.5156 12.5156 k = 0.4111 0.4426 0.8446 ( 6794 PWs) bands (ev): -31.3506 -31.3506 -31.3476 -31.3476 -31.3427 -31.3427 -12.6731 -12.6731 -12.6578 -12.6578 -12.6499 -12.6499 -12.3185 -12.3185 -12.3035 -12.3035 -12.2934 -12.2934 -12.2780 -12.2780 -12.2602 -12.2602 -12.2400 -12.2400 -1.1454 -1.1454 -0.8563 -0.8563 -0.8186 -0.8186 3.4503 3.4503 4.1661 4.1661 4.2186 4.2186 4.2501 4.2501 4.4283 4.4283 4.5578 4.5578 4.6795 4.6795 4.8048 4.8048 4.8499 4.8499 4.9644 4.9644 5.1063 5.1063 5.1395 5.1395 5.2506 5.2506 5.2876 5.2876 5.3681 5.3681 5.4394 5.4394 6.2768 6.2768 6.5144 6.5144 6.5873 6.5873 7.4268 7.4268 7.5350 7.5350 7.6775 7.6775 7.7659 7.7659 8.5992 8.5992 10.9356 10.9356 10.9786 10.9786 11.2188 11.2188 11.9589 11.9589 12.2280 12.2280 12.3923 12.3923 12.4975 12.4975 12.5083 12.5083 k = 0.4000 0.4619 0.8446 ( 6798 PWs) bands (ev): -31.3504 -31.3504 -31.3477 -31.3477 -31.3427 -31.3427 -12.6730 -12.6730 -12.6575 -12.6575 -12.6503 -12.6503 -12.3181 -12.3181 -12.3038 -12.3038 -12.2937 -12.2937 -12.2775 -12.2775 -12.2597 -12.2597 -12.2409 -12.2409 -1.1452 -1.1452 -0.8542 -0.8542 -0.8204 -0.8204 3.4466 3.4466 4.1673 4.1673 4.2223 4.2223 4.2540 4.2540 4.4233 4.4233 4.5413 4.5413 4.6863 4.6863 4.8098 4.8098 4.8444 4.8444 4.9620 4.9620 5.1094 5.1094 5.1372 5.1372 5.2533 5.2533 5.2904 5.2904 5.3657 5.3657 5.4373 5.4373 6.2877 6.2877 6.5506 6.5506 6.5924 6.5924 7.3657 7.3657 7.5053 7.5053 7.6898 7.6898 7.7650 7.7650 8.6388 8.6388 10.9301 10.9301 11.0191 11.0191 11.2436 11.2436 11.9757 11.9757 12.2168 12.2168 12.3643 12.3643 12.4925 12.4925 12.5049 12.5049 k = 0.3889 0.4811 0.8446 ( 6798 PWs) bands (ev): -31.3502 -31.3502 -31.3479 -31.3479 -31.3427 -31.3427 -12.6728 -12.6728 -12.6571 -12.6571 -12.6508 -12.6508 -12.3177 -12.3177 -12.3041 -12.3041 -12.2940 -12.2940 -12.2770 -12.2770 -12.2591 -12.2591 -12.2418 -12.2418 -1.1450 -1.1450 -0.8517 -0.8517 -0.8224 -0.8224 3.4430 3.4430 4.1683 4.1683 4.2252 4.2252 4.2589 4.2589 4.4176 4.4176 4.5264 4.5264 4.6930 4.6930 4.8144 4.8144 4.8397 4.8397 4.9602 4.9602 5.1120 5.1120 5.1352 5.1352 5.2552 5.2552 5.2929 5.2929 5.3634 5.3634 5.4356 5.4356 6.2999 6.2999 6.5246 6.5246 6.6638 6.6638 7.3053 7.3053 7.4744 7.4744 7.7006 7.7006 7.7648 7.7648 8.6734 8.6734 10.9236 10.9236 11.0630 11.0630 11.2666 11.2666 11.9945 11.9945 12.2040 12.2040 12.3384 12.3384 12.4771 12.4771 12.5069 12.5069 k = 0.3778 0.5004 0.8446 ( 6790 PWs) bands (ev): -31.3500 -31.3500 -31.3481 -31.3481 -31.3427 -31.3427 -12.6727 -12.6727 -12.6566 -12.6566 -12.6513 -12.6513 -12.3174 -12.3174 -12.3044 -12.3044 -12.2943 -12.2943 -12.2766 -12.2766 -12.2586 -12.2586 -12.2427 -12.2427 -1.1448 -1.1448 -0.8491 -0.8491 -0.8247 -0.8247 3.4397 3.4397 4.1692 4.1692 4.2275 4.2275 4.2643 4.2643 4.4113 4.4113 4.5141 4.5141 4.6991 4.6991 4.8184 4.8184 4.8359 4.8359 4.9589 4.9589 5.1141 5.1141 5.1333 5.1333 5.2567 5.2567 5.2946 5.2946 5.3612 5.3612 5.4343 5.4343 6.3136 6.3136 6.4962 6.4962 6.7410 6.7410 7.2462 7.2462 7.4428 7.4428 7.7093 7.7093 7.7652 7.7652 8.7022 8.7022 10.9173 10.9173 11.1082 11.1082 11.2858 11.2858 12.0153 12.0153 12.1896 12.1896 12.3166 12.3166 12.4546 12.4546 12.5092 12.5092 k = 0.3667 0.5196 0.8446 ( 6794 PWs) bands (ev): -31.3498 -31.3498 -31.3483 -31.3483 -31.3427 -31.3427 -12.6726 -12.6726 -12.6561 -12.6561 -12.6518 -12.6518 -12.3170 -12.3170 -12.3046 -12.3046 -12.2946 -12.2946 -12.2762 -12.2762 -12.2581 -12.2581 -12.2435 -12.2435 -1.1447 -1.1447 -0.8462 -0.8462 -0.8272 -0.8272 3.4369 3.4369 4.1698 4.1698 4.2292 4.2292 4.2697 4.2697 4.4046 4.4046 4.5050 4.5050 4.7042 4.7042 4.8214 4.8214 4.8333 4.8333 4.9580 4.9580 5.1158 5.1158 5.1316 5.1316 5.2581 5.2581 5.2955 5.2955 5.3594 5.3594 5.4335 5.4335 6.3285 6.3285 6.4688 6.4688 6.8196 6.8196 7.1889 7.1889 7.4116 7.4116 7.7157 7.7157 7.7661 7.7661 8.7250 8.7250 10.9117 10.9117 11.1527 11.1527 11.2989 11.2989 12.0374 12.0374 12.1736 12.1736 12.3010 12.3010 12.4255 12.4255 12.5112 12.5112 k = 0.3556 0.5389 0.8446 ( 6798 PWs) bands (ev): -31.3496 -31.3496 -31.3486 -31.3486 -31.3427 -31.3427 -12.6725 -12.6725 -12.6555 -12.6555 -12.6524 -12.6524 -12.3168 -12.3168 -12.3047 -12.3047 -12.2948 -12.2948 -12.2759 -12.2759 -12.2577 -12.2577 -12.2442 -12.2442 -1.1445 -1.1445 -0.8432 -0.8432 -0.8300 -0.8300 3.4347 3.4347 4.1703 4.1703 4.2305 4.2305 4.2741 4.2741 4.3985 4.3985 4.4991 4.4991 4.7080 4.7080 4.8232 4.8232 4.8321 4.8321 4.9573 4.9573 5.1169 5.1169 5.1302 5.1302 5.2593 5.2593 5.2955 5.2955 5.3581 5.3581 5.4331 5.4331 6.3444 6.3444 6.4435 6.4435 6.8971 6.8971 7.1339 7.1339 7.3826 7.3826 7.7198 7.7198 7.7674 7.7674 8.7414 8.7414 10.9073 10.9073 11.1941 11.1941 11.3037 11.3037 12.0602 12.0602 12.1560 12.1560 12.2933 12.2933 12.3928 12.3928 12.5127 12.5127 k = 0.3444 0.5581 0.8446 ( 6802 PWs) bands (ev): -31.3493 -31.3493 -31.3488 -31.3488 -31.3427 -31.3427 -12.6725 -12.6725 -12.6550 -12.6550 -12.6530 -12.6530 -12.3167 -12.3167 -12.3048 -12.3048 -12.2950 -12.2950 -12.2757 -12.2757 -12.2575 -12.2575 -12.2446 -12.2446 -1.1445 -1.1445 -0.8399 -0.8399 -0.8331 -0.8331 3.4333 3.4333 4.1705 4.1705 4.2314 4.2314 4.2770 4.2770 4.3942 4.3942 4.4959 4.4959 4.7103 4.7103 4.8238 4.8238 4.8321 4.8321 4.9569 4.9569 5.1176 5.1176 5.1292 5.1292 5.2603 5.2603 5.2951 5.2951 5.3573 5.3573 5.4329 5.4329 6.3598 6.3598 6.4221 6.4221 6.9688 6.9688 7.0815 7.0815 7.3595 7.3595 7.7219 7.7219 7.7684 7.7684 8.7514 8.7514 10.9045 10.9045 11.2292 11.2292 11.2988 11.2988 12.0822 12.0822 12.1378 12.1378 12.2943 12.2943 12.3626 12.3626 12.5136 12.5136 k = 0.3333 0.5774 0.8446 ( 6798 PWs) bands (ev): -31.3491 -31.3491 -31.3491 -31.3491 -31.3427 -31.3427 -12.6725 -12.6725 -12.6547 -12.6547 -12.6533 -12.6533 -12.3166 -12.3166 -12.3048 -12.3048 -12.2950 -12.2950 -12.2756 -12.2756 -12.2574 -12.2574 -12.2448 -12.2448 -1.1444 -1.1444 -0.8366 -0.8366 -0.8363 -0.8363 3.4328 3.4328 4.1706 4.1706 4.2318 4.2318 4.2779 4.2779 4.3927 4.3927 4.4950 4.4950 4.7111 4.7111 4.8238 4.8238 4.8324 4.8324 4.9568 4.9568 5.1178 5.1178 5.1289 5.1289 5.2607 5.2607 5.2948 5.2948 5.3571 5.3571 5.4329 5.4329 6.3680 6.3680 6.4119 6.4119 7.0178 7.0178 7.0415 7.0415 7.3494 7.3494 7.7226 7.7226 7.7689 7.7689 8.7547 8.7547 10.9035 10.9035 11.2473 11.2473 11.2914 11.2914 12.0953 12.0953 12.1261 12.1261 12.2983 12.2983 12.3476 12.3476 12.5139 12.5139 k = 0.3333 0.5774 0.8446 ( 6798 PWs) bands (ev): -31.3491 -31.3491 -31.3491 -31.3491 -31.3427 -31.3427 -12.6725 -12.6725 -12.6547 -12.6547 -12.6533 -12.6533 -12.3166 -12.3166 -12.3048 -12.3048 -12.2950 -12.2950 -12.2756 -12.2756 -12.2574 -12.2574 -12.2448 -12.2448 -1.1444 -1.1444 -0.8366 -0.8366 -0.8363 -0.8363 3.4328 3.4328 4.1706 4.1706 4.2318 4.2318 4.2779 4.2779 4.3927 4.3927 4.4950 4.4950 4.7111 4.7111 4.8238 4.8238 4.8324 4.8324 4.9568 4.9568 5.1178 5.1178 5.1289 5.1289 5.2607 5.2607 5.2948 5.2948 5.3571 5.3571 5.4329 5.4329 6.3680 6.3680 6.4119 6.4119 7.0178 7.0178 7.0415 7.0415 7.3494 7.3494 7.7226 7.7226 7.7689 7.7689 8.7547 8.7547 10.9035 10.9035 11.2473 11.2473 11.2914 11.2914 12.0953 12.0953 12.1261 12.1261 12.2983 12.2983 12.3476 12.3476 12.5139 12.5139 k = 0.3222 0.5581 0.8446 ( 6796 PWs) bands (ev): -31.3493 -31.3493 -31.3488 -31.3488 -31.3427 -31.3427 -12.6725 -12.6725 -12.6550 -12.6550 -12.6529 -12.6529 -12.3166 -12.3166 -12.3048 -12.3048 -12.2950 -12.2950 -12.2757 -12.2757 -12.2575 -12.2575 -12.2446 -12.2446 -1.1445 -1.1445 -0.8401 -0.8401 -0.8329 -0.8329 3.4333 3.4333 4.1705 4.1705 4.2313 4.2313 4.2772 4.2772 4.3941 4.3941 4.4958 4.4958 4.7104 4.7104 4.8238 4.8238 4.8320 4.8320 4.9569 4.9569 5.1176 5.1176 5.1292 5.1292 5.2602 5.2602 5.2953 5.2953 5.3573 5.3573 5.4329 5.4329 6.3601 6.3601 6.4220 6.4220 6.9799 6.9799 7.0667 7.0667 7.3631 7.3631 7.7220 7.7220 7.7684 7.7684 8.7514 8.7514 10.9046 10.9046 11.2263 11.2263 11.3015 11.3015 12.0815 12.0815 12.1382 12.1382 12.2928 12.2928 12.3651 12.3651 12.5136 12.5136 k = 0.3111 0.5389 0.8446 ( 6794 PWs) bands (ev): -31.3496 -31.3496 -31.3485 -31.3485 -31.3427 -31.3427 -12.6725 -12.6725 -12.6557 -12.6557 -12.6523 -12.6523 -12.3168 -12.3168 -12.3048 -12.3048 -12.2947 -12.2947 -12.2759 -12.2759 -12.2577 -12.2577 -12.2441 -12.2441 -1.1446 -1.1446 -0.8441 -0.8441 -0.8291 -0.8291 3.4350 3.4350 4.1704 4.1704 4.2296 4.2296 4.2760 4.2760 4.3982 4.3982 4.4979 4.4979 4.7084 4.7084 4.8237 4.8237 4.8305 4.8305 4.9575 4.9575 5.1173 5.1173 5.1304 5.1304 5.2585 5.2585 5.2971 5.2971 5.3580 5.3580 5.4327 5.4327 6.3458 6.3458 6.4429 6.4429 6.9348 6.9348 7.0717 7.0717 7.4055 7.4055 7.7206 7.7206 7.7669 7.7669 8.7416 8.7416 10.9080 10.9080 11.1808 11.1808 11.3158 11.3158 12.0569 12.0569 12.1573 12.1573 12.2867 12.2867 12.4076 12.4076 12.5128 12.5128 k = 0.3000 0.5196 0.8446 ( 6798 PWs) bands (ev): -31.3499 -31.3499 -31.3482 -31.3482 -31.3427 -31.3427 -12.6726 -12.6726 -12.6564 -12.6564 -12.6515 -12.6515 -12.3170 -12.3170 -12.3048 -12.3048 -12.2944 -12.2944 -12.2764 -12.2764 -12.2580 -12.2580 -12.2434 -12.2434 -1.1447 -1.1447 -0.8483 -0.8483 -0.8253 -0.8253 3.4379 3.4379 4.1703 4.1703 4.2264 4.2264 4.2753 4.2753 4.4038 4.4038 4.5011 4.5011 4.7054 4.7054 4.8225 4.8225 4.8288 4.8288 4.9584 4.9584 5.1168 5.1168 5.1322 5.1322 5.2558 5.2558 5.3001 5.3001 5.3593 5.3593 5.4323 5.4323 6.3320 6.3320 6.4679 6.4679 6.8916 6.8916 7.0551 7.0551 7.4680 7.4680 7.7183 7.7183 7.7645 7.7645 8.7255 8.7255 10.9137 10.9137 11.1226 11.1226 11.3254 11.3254 12.0287 12.0287 12.1753 12.1753 12.2871 12.2871 12.4661 12.4661 12.5117 12.5117 k = 0.2889 0.5004 0.8446 ( 6802 PWs) bands (ev): -31.3502 -31.3502 -31.3480 -31.3480 -31.3427 -31.3427 -12.6727 -12.6727 -12.6573 -12.6573 -12.6507 -12.6507 -12.3174 -12.3174 -12.3049 -12.3049 -12.2939 -12.2939 -12.2770 -12.2770 -12.2583 -12.2583 -12.2424 -12.2424 -1.1450 -1.1450 -0.8527 -0.8527 -0.8213 -0.8213 3.4420 3.4420 4.1702 4.1702 4.2220 4.2220 4.2756 4.2756 4.4101 4.4101 4.5053 4.5053 4.7016 4.7016 4.8186 4.8186 4.8281 4.8281 4.9600 4.9600 5.1163 5.1163 5.1347 5.1347 5.2527 5.2527 5.3042 5.3042 5.3612 5.3612 5.4315 5.4315 6.3205 6.3205 6.4954 6.4954 6.8508 6.8508 7.0266 7.0266 7.5393 7.5393 7.7154 7.7154 7.7616 7.7616 8.7033 8.7033 10.9219 10.9219 11.0568 11.0568 11.3301 11.3301 11.9981 11.9981 12.1905 12.1905 12.2936 12.2936 12.5087 12.5087 12.5389 12.5389 k = 0.2778 0.4811 0.8446 ( 6806 PWs) bands (ev): -31.3505 -31.3505 -31.3477 -31.3477 -31.3427 -31.3427 -12.6728 -12.6728 -12.6582 -12.6582 -12.6499 -12.6499 -12.3178 -12.3178 -12.3050 -12.3050 -12.2932 -12.2932 -12.2778 -12.2778 -12.2586 -12.2586 -12.2413 -12.2413 -1.1453 -1.1453 -0.8575 -0.8575 -0.8172 -0.8172 3.4475 3.4475 4.1702 4.1702 4.2169 4.2169 4.2769 4.2769 4.4162 4.4162 4.5103 4.5103 4.6975 4.6975 4.8120 4.8120 4.8281 4.8281 4.9622 4.9622 5.1158 5.1158 5.1378 5.1378 5.2496 5.2496 5.3087 5.3087 5.3641 5.3641 5.4303 5.4303 6.3116 6.3116 6.5250 6.5250 6.8122 6.8122 6.9921 6.9921 7.6111 7.6111 7.7126 7.7126 7.7594 7.7594 8.6755 8.6755 10.9315 10.9315 10.9881 10.9881 11.3309 11.3309 11.9654 11.9654 12.2019 12.2019 12.3046 12.3046 12.5069 12.5069 12.6203 12.6203 k = 0.2667 0.4619 0.8446 ( 6792 PWs) bands (ev): -31.3508 -31.3508 -31.3474 -31.3474 -31.3427 -31.3427 -12.6729 -12.6729 -12.6590 -12.6590 -12.6490 -12.6490 -12.3183 -12.3183 -12.3052 -12.3052 -12.2924 -12.2924 -12.2787 -12.2787 -12.2588 -12.2588 -12.2400 -12.2400 -1.1457 -1.1457 -0.8624 -0.8624 -0.8130 -0.8130 3.4543 3.4543 4.1703 4.1703 4.2117 4.2117 4.2791 4.2791 4.4214 4.4214 4.5161 4.5161 4.6933 4.6933 4.8038 4.8038 4.8282 4.8282 4.9651 4.9651 5.1152 5.1152 5.1413 5.1413 5.2468 5.2468 5.3133 5.3133 5.3684 5.3684 5.4287 5.4287 6.3055 6.3055 6.5564 6.5564 6.7758 6.7758 6.9545 6.9545 7.6695 7.6695 7.7161 7.7161 7.7616 7.7616 8.6423 8.6423 10.9112 10.9112 10.9518 10.9518 11.3292 11.3292 11.9309 11.9309 12.2089 12.2089 12.3182 12.3182 12.5044 12.5044 12.7101 12.7101 k = 0.2556 0.4426 0.8446 ( 6792 PWs) bands (ev): -31.3511 -31.3511 -31.3471 -31.3471 -31.3427 -31.3427 -12.6731 -12.6731 -12.6599 -12.6599 -12.6482 -12.6482 -12.3188 -12.3188 -12.3055 -12.3055 -12.2915 -12.2915 -12.2798 -12.2798 -12.2590 -12.2590 -12.2386 -12.2386 -1.1462 -1.1462 -0.8675 -0.8675 -0.8087 -0.8087 3.4623 3.4623 4.1704 4.1704 4.2069 4.2069 4.2819 4.2819 4.4251 4.4251 4.5225 4.5225 4.6894 4.6894 4.7943 4.7943 4.8280 4.8280 4.9686 4.9686 5.1143 5.1143 5.1450 5.1450 5.2449 5.2449 5.3174 5.3174 5.3745 5.3745 5.4265 5.4265 6.3023 6.3023 6.5893 6.5893 6.7417 6.7417 6.9155 6.9155 7.6841 7.6841 7.7334 7.7334 7.7888 7.7888 8.6041 8.6041 10.8461 10.8461 10.9657 10.9657 11.3262 11.3262 11.8948 11.8948 12.2109 12.2109 12.3328 12.3328 12.5014 12.5014 12.8057 12.8057 k = 0.2444 0.4234 0.8446 ( 6792 PWs) bands (ev): -31.3514 -31.3514 -31.3468 -31.3468 -31.3427 -31.3427 -12.6733 -12.6733 -12.6608 -12.6608 -12.6473 -12.6473 -12.3193 -12.3193 -12.3059 -12.3059 -12.2905 -12.2905 -12.2809 -12.2809 -12.2592 -12.2592 -12.2372 -12.2372 -1.1468 -1.1468 -0.8729 -0.8729 -0.8045 -0.8045 3.4717 3.4717 4.1706 4.1706 4.2028 4.2028 4.2851 4.2851 4.4269 4.4269 4.5292 4.5292 4.6859 4.6859 4.7843 4.7843 4.8276 4.8276 4.9726 4.9726 5.1131 5.1131 5.1487 5.1487 5.2441 5.2441 5.3207 5.3207 5.3828 5.3828 5.4239 5.4239 6.3019 6.3019 6.6228 6.6228 6.7102 6.7102 6.8757 6.8757 7.6784 7.6784 7.7366 7.7366 7.8434 7.8434 8.5616 8.5616 10.7845 10.7845 10.9843 10.9843 11.3227 11.3227 11.8574 11.8574 12.2075 12.2075 12.3476 12.3476 12.4980 12.4980 12.9050 12.9050 k = 0.2333 0.4041 0.8446 ( 6798 PWs) bands (ev): -31.3517 -31.3517 -31.3465 -31.3465 -31.3427 -31.3427 -12.6735 -12.6735 -12.6618 -12.6618 -12.6465 -12.6465 -12.3199 -12.3199 -12.3063 -12.3063 -12.2895 -12.2895 -12.2821 -12.2821 -12.2593 -12.2593 -12.2356 -12.2356 -1.1474 -1.1474 -0.8783 -0.8783 -0.8001 -0.8001 3.4823 3.4823 4.1707 4.1707 4.1996 4.1996 4.2887 4.2887 4.4267 4.4267 4.5361 4.5361 4.6830 4.6830 4.7741 4.7741 4.8268 4.8268 4.9770 4.9770 5.1114 5.1114 5.1519 5.1519 5.2446 5.2446 5.3231 5.3231 5.3935 5.3935 5.4209 5.4209 6.3042 6.3042 6.6515 6.6515 6.6866 6.6866 6.8360 6.8360 7.6689 7.6689 7.7351 7.7351 7.8980 7.8980 8.5153 8.5153 10.7307 10.7307 11.0056 11.0056 11.3195 11.3195 11.8189 11.8189 12.1984 12.1984 12.3621 12.3621 12.4943 12.4943 13.0060 13.0060 k = 0.2222 0.3849 0.8446 ( 6794 PWs) bands (ev): -31.3520 -31.3520 -31.3462 -31.3462 -31.3427 -31.3427 -12.6737 -12.6737 -12.6627 -12.6627 -12.6457 -12.6457 -12.3204 -12.3204 -12.3069 -12.3069 -12.2884 -12.2884 -12.2832 -12.2832 -12.2593 -12.2593 -12.2340 -12.2340 -1.1482 -1.1482 -0.8839 -0.8839 -0.7958 -0.7958 3.4940 3.4940 4.1708 4.1708 4.1974 4.1974 4.2924 4.2924 4.4244 4.4244 4.5428 4.5428 4.6809 4.6809 4.7646 4.7646 4.8258 4.8258 4.9817 4.9817 5.1095 5.1095 5.1546 5.1546 5.2464 5.2464 5.3247 5.3247 5.4063 5.4063 5.4181 5.4181 6.3090 6.3090 6.6417 6.6417 6.7036 6.7036 6.7971 6.7971 7.6577 7.6577 7.7326 7.7326 7.9454 7.9454 8.4656 8.4656 10.6871 10.6871 11.0294 11.0294 11.3171 11.3171 11.7795 11.7795 12.1835 12.1835 12.3758 12.3758 12.4903 12.4903 13.1062 13.1062 k = 0.2111 0.3657 0.8446 ( 6802 PWs) bands (ev): -31.3523 -31.3523 -31.3459 -31.3459 -31.3427 -31.3427 -12.6739 -12.6739 -12.6636 -12.6636 -12.6449 -12.6449 -12.3210 -12.3210 -12.3075 -12.3075 -12.2872 -12.2872 -12.2843 -12.2843 -12.2594 -12.2594 -12.2325 -12.2325 -1.1490 -1.1490 -0.8896 -0.8896 -0.7915 -0.7915 3.5067 3.5067 4.1708 4.1708 4.1962 4.1962 4.2962 4.2962 4.4199 4.4199 4.5490 4.5490 4.6792 4.6792 4.7562 4.7562 4.8248 4.8248 4.9864 4.9864 5.1071 5.1071 5.1566 5.1566 5.2494 5.2494 5.3259 5.3259 5.4114 5.4114 5.4250 5.4250 6.3161 6.3161 6.6157 6.6157 6.7333 6.7333 6.7646 6.7646 7.6456 7.6456 7.7296 7.7296 7.9831 7.9831 8.4133 8.4133 10.6555 10.6555 11.0552 11.0552 11.3157 11.3157 11.7397 11.7397 12.1632 12.1632 12.3888 12.3888 12.4858 12.4858 13.1778 13.1778 k = 0.2000 0.3464 0.8446 ( 6806 PWs) bands (ev): -31.3526 -31.3526 -31.3456 -31.3456 -31.3427 -31.3427 -12.6741 -12.6741 -12.6645 -12.6645 -12.6442 -12.6442 -12.3216 -12.3216 -12.3082 -12.3082 -12.2863 -12.2863 -12.2853 -12.2853 -12.2594 -12.2594 -12.2308 -12.2308 -1.1498 -1.1498 -0.8953 -0.8953 -0.7873 -0.7873 3.5203 3.5203 4.1708 4.1708 4.1959 4.1959 4.3001 4.3001 4.4138 4.4138 4.5544 4.5544 4.6778 4.6778 4.7497 4.7497 4.8237 4.8237 4.9910 4.9910 5.1046 5.1046 5.1578 5.1578 5.2533 5.2533 5.3268 5.3268 5.4076 5.4076 5.4431 5.4431 6.3253 6.3253 6.5892 6.5892 6.7136 6.7136 6.7849 6.7849 7.6331 7.6331 7.7263 7.7263 8.0099 8.0099 8.3588 8.3588 10.6371 10.6371 11.0829 11.0829 11.3154 11.3154 11.6997 11.6997 12.1378 12.1378 12.4011 12.4011 12.4810 12.4810 13.2377 13.2377 k = 0.1889 0.3272 0.8446 ( 6814 PWs) bands (ev): -31.3529 -31.3529 -31.3453 -31.3453 -31.3427 -31.3427 -12.6744 -12.6744 -12.6654 -12.6654 -12.6434 -12.6434 -12.3221 -12.3221 -12.3090 -12.3090 -12.2866 -12.2866 -12.2848 -12.2848 -12.2594 -12.2594 -12.2292 -12.2292 -1.1507 -1.1507 -0.9011 -0.9011 -0.7831 -0.7831 3.5346 3.5346 4.1708 4.1708 4.1963 4.1963 4.3039 4.3039 4.4062 4.4062 4.5587 4.5587 4.6765 4.6765 4.7453 4.7453 4.8231 4.8231 4.9953 4.9953 5.1019 5.1019 5.1585 5.1585 5.2576 5.2576 5.3280 5.3280 5.4029 5.4029 5.4642 5.4642 6.3362 6.3362 6.5630 6.5630 6.6772 6.6772 6.8238 6.8238 7.6205 7.6205 7.7226 7.7226 8.0252 8.0252 8.3029 8.3029 10.6326 10.6326 11.1120 11.1120 11.3164 11.3164 11.6599 11.6599 12.1083 12.1083 12.4127 12.4127 12.4759 12.4759 13.2975 13.2975 k = 0.1778 0.3079 0.8446 ( 6802 PWs) bands (ev): -31.3531 -31.3531 -31.3450 -31.3450 -31.3427 -31.3427 -12.6746 -12.6746 -12.6662 -12.6662 -12.6427 -12.6427 -12.3226 -12.3226 -12.3099 -12.3099 -12.2874 -12.2874 -12.2836 -12.2836 -12.2595 -12.2595 -12.2275 -12.2275 -1.1517 -1.1517 -0.9067 -0.9067 -0.7790 -0.7790 3.5495 3.5495 4.1707 4.1707 4.1973 4.1973 4.3075 4.3075 4.3977 4.3977 4.5617 4.5617 4.6753 4.6753 4.7430 4.7430 4.8231 4.8231 4.9993 4.9993 5.0992 5.0992 5.1588 5.1588 5.2618 5.2618 5.3297 5.3297 5.3980 5.3980 5.4878 5.4878 6.3486 6.3486 6.5374 6.5374 6.6407 6.6407 6.8647 6.8647 7.6081 7.6081 7.7183 7.7183 8.0292 8.0292 8.2460 8.2460 10.6419 10.6419 11.1421 11.1421 11.3186 11.3186 11.6204 11.6204 12.0755 12.0755 12.4236 12.4236 12.4704 12.4704 13.3567 13.3567 k = 0.1667 0.2887 0.8446 ( 6806 PWs) bands (ev): -31.3534 -31.3534 -31.3448 -31.3448 -31.3427 -31.3427 -12.6749 -12.6749 -12.6671 -12.6671 -12.6421 -12.6421 -12.3231 -12.3231 -12.3108 -12.3108 -12.2882 -12.2882 -12.2825 -12.2825 -12.2595 -12.2595 -12.2259 -12.2259 -1.1527 -1.1527 -0.9124 -0.9124 -0.7750 -0.7750 3.5648 3.5648 4.1706 4.1706 4.1986 4.1986 4.3108 4.3108 4.3889 4.3889 4.5632 4.5632 4.6744 4.6744 4.7424 4.7424 4.8241 4.8241 5.0027 5.0027 5.0966 5.0966 5.1586 5.1586 5.2654 5.2654 5.3321 5.3321 5.3930 5.3930 5.5136 5.5136 6.3622 6.3622 6.5120 6.5120 6.6050 6.6050 6.9064 6.9064 7.5961 7.5961 7.7134 7.7134 8.0225 8.0225 8.1890 8.1890 10.6646 10.6646 11.1725 11.1725 11.3219 11.3219 11.5817 11.5817 12.0409 12.0409 12.4340 12.4340 12.4647 12.4647 13.3831 13.3831 k = 0.1556 0.2694 0.8446 ( 6818 PWs) bands (ev): -31.3537 -31.3537 -31.3445 -31.3445 -31.3427 -31.3427 -12.6752 -12.6752 -12.6678 -12.6678 -12.6415 -12.6415 -12.3236 -12.3236 -12.3118 -12.3118 -12.2889 -12.2889 -12.2814 -12.2814 -12.2596 -12.2596 -12.2243 -12.2243 -1.1537 -1.1537 -0.9179 -0.9179 -0.7712 -0.7712 3.5803 3.5803 4.1703 4.1703 4.2003 4.2003 4.3131 4.3131 4.3806 4.3806 4.5630 4.5630 4.6742 4.6742 4.7427 4.7427 4.8265 4.8265 5.0055 5.0055 5.0943 5.0943 5.1582 5.1582 5.2679 5.2679 5.3353 5.3353 5.3885 5.3885 5.5416 5.5416 6.3766 6.3766 6.4867 6.4867 6.5705 6.5705 6.9485 6.9485 7.5847 7.5847 7.7077 7.7077 8.0061 8.0061 8.1322 8.1322 10.6993 10.6993 11.2025 11.2025 11.3262 11.3262 11.5439 11.5439 12.0061 12.0061 12.4434 12.4434 12.4593 12.4593 13.3280 13.3280 k = 0.1444 0.2502 0.8446 ( 6810 PWs) bands (ev): -31.3539 -31.3539 -31.3443 -31.3443 -31.3427 -31.3427 -12.6755 -12.6755 -12.6685 -12.6685 -12.6409 -12.6409 -12.3241 -12.3241 -12.3128 -12.3128 -12.2895 -12.2895 -12.2803 -12.2803 -12.2596 -12.2596 -12.2228 -12.2228 -1.1547 -1.1547 -0.9232 -0.9232 -0.7675 -0.7675 3.5957 3.5957 4.1698 4.1698 4.2021 4.2021 4.3141 4.3141 4.3740 4.3740 4.5612 4.5612 4.6751 4.6751 4.7433 4.7433 4.8305 4.8305 5.0079 5.0079 5.0923 5.0923 5.1576 5.1576 5.2691 5.2691 5.3385 5.3385 5.3854 5.3854 5.5715 5.5715 6.3915 6.3915 6.4612 6.4612 6.5374 6.5374 6.9907 6.9907 7.5741 7.5741 7.7011 7.7011 7.9817 7.9817 8.0765 8.0765 10.7444 10.7444 11.2309 11.2309 11.3314 11.3314 11.5075 11.5075 11.9729 11.9729 12.4478 12.4478 12.4583 12.4583 13.2659 13.2659 k = 0.1333 0.2309 0.8446 ( 6810 PWs) bands (ev): -31.3541 -31.3541 -31.3441 -31.3441 -31.3427 -31.3427 -12.6758 -12.6758 -12.6692 -12.6692 -12.6404 -12.6404 -12.3245 -12.3245 -12.3139 -12.3139 -12.2900 -12.2900 -12.2792 -12.2792 -12.2597 -12.2597 -12.2213 -12.2213 -1.1557 -1.1557 -0.9283 -0.9283 -0.7639 -0.7639 3.6110 3.6110 4.1690 4.1690 4.2040 4.2040 4.3129 4.3129 4.3701 4.3701 4.5579 4.5579 4.6769 4.6769 4.7436 4.7436 4.8363 4.8363 5.0098 5.0098 5.0907 5.0907 5.1569 5.1569 5.2692 5.2692 5.3401 5.3401 5.3853 5.3853 5.6031 5.6031 6.4059 6.4059 6.4358 6.4358 6.5059 6.5059 7.0328 7.0328 7.5643 7.5643 7.6934 7.6934 7.9509 7.9509 8.0223 8.0223 10.7981 10.7981 11.2565 11.2565 11.3373 11.3373 11.4727 11.4727 11.9436 11.9436 12.4432 12.4432 12.4658 12.4658 13.1985 13.1985 k = 0.1222 0.2117 0.8446 ( 6822 PWs) bands (ev): -31.3544 -31.3544 -31.3438 -31.3438 -31.3427 -31.3427 -12.6761 -12.6761 -12.6698 -12.6698 -12.6399 -12.6399 -12.3248 -12.3248 -12.3149 -12.3149 -12.2905 -12.2905 -12.2783 -12.2783 -12.2598 -12.2598 -12.2199 -12.2199 -1.1567 -1.1567 -0.9332 -0.9332 -0.7606 -0.7606 3.6259 3.6259 4.1676 4.1676 4.2059 4.2059 4.3095 4.3095 4.3694 4.3694 4.5532 4.5532 4.6795 4.6795 4.7435 4.7435 4.8438 4.8438 5.0115 5.0115 5.0894 5.0894 5.1561 5.1561 5.2682 5.2682 5.3386 5.3386 5.3895 5.3895 5.6361 5.6361 6.4054 6.4054 6.4241 6.4241 6.4763 6.4763 7.0746 7.0746 7.5554 7.5554 7.6845 7.6845 7.9156 7.9156 7.9702 7.9702 10.8583 10.8583 11.2777 11.2777 11.3436 11.3436 11.4397 11.4397 11.9205 11.9205 12.4367 12.4367 12.4748 12.4748 13.1271 13.1271 k = 0.1111 0.1925 0.8446 ( 6824 PWs) bands (ev): -31.3546 -31.3546 -31.3436 -31.3436 -31.3427 -31.3427 -12.6764 -12.6764 -12.6703 -12.6703 -12.6395 -12.6395 -12.3251 -12.3251 -12.3160 -12.3160 -12.2908 -12.2908 -12.2773 -12.2773 -12.2599 -12.2599 -12.2185 -12.2185 -1.1577 -1.1577 -0.9378 -0.9378 -0.7575 -0.7575 3.6403 3.6403 4.1658 4.1658 4.2077 4.2077 4.3044 4.3044 4.3714 4.3714 4.5476 4.5476 4.6826 4.6826 4.7431 4.7431 4.8526 4.8526 5.0129 5.0129 5.0885 5.0885 5.1553 5.1553 5.2664 5.2664 5.3340 5.3340 5.3978 5.3978 5.6702 5.6702 6.3795 6.3795 6.4334 6.4334 6.4518 6.4518 7.1159 7.1159 7.5476 7.5476 7.6743 7.6743 7.8776 7.8776 7.9207 7.9207 10.9229 10.9229 11.2933 11.2933 11.3497 11.3497 11.4091 11.4091 11.9062 11.9062 12.4300 12.4300 12.4839 12.4839 13.0532 13.0532 k = 0.1000 0.1732 0.8446 ( 6828 PWs) bands (ev): -31.3547 -31.3547 -31.3435 -31.3435 -31.3427 -31.3427 -12.6768 -12.6768 -12.6708 -12.6708 -12.6391 -12.6391 -12.3254 -12.3254 -12.3170 -12.3170 -12.2911 -12.2911 -12.2764 -12.2764 -12.2601 -12.2601 -12.2173 -12.2173 -1.1586 -1.1586 -0.9421 -0.9421 -0.7546 -0.7546 3.6538 3.6538 4.1633 4.1633 4.2094 4.2094 4.2987 4.2987 4.3755 4.3755 4.5413 4.5413 4.6859 4.6859 4.7425 4.7425 4.8623 4.8623 5.0144 5.0144 5.0879 5.0879 5.1546 5.1546 5.2639 5.2639 5.3275 5.3275 5.4090 5.4090 5.7052 5.7052 6.3520 6.3520 6.4168 6.4168 6.4550 6.4550 7.1564 7.1564 7.5407 7.5407 7.6627 7.6627 7.8386 7.8386 7.8742 7.8742 10.9897 10.9897 11.3024 11.3024 11.3544 11.3544 11.3817 11.3817 11.9026 11.9026 12.4233 12.4233 12.4930 12.4930 12.9778 12.9778 k = 0.0889 0.1540 0.8446 ( 6824 PWs) bands (ev): -31.3549 -31.3549 -31.3433 -31.3433 -31.3427 -31.3427 -12.6771 -12.6771 -12.6712 -12.6712 -12.6388 -12.6388 -12.3256 -12.3256 -12.3180 -12.3180 -12.2913 -12.2913 -12.2755 -12.2755 -12.2602 -12.2602 -12.2161 -12.2161 -1.1594 -1.1594 -0.9461 -0.9461 -0.7520 -0.7520 3.6665 3.6665 4.1603 4.1603 4.2110 4.2110 4.2932 4.2932 4.3809 4.3809 4.5345 4.5345 4.6888 4.6888 4.7419 4.7419 4.8726 4.8726 5.0159 5.0159 5.0877 5.0877 5.1541 5.1541 5.2611 5.2611 5.3198 5.3198 5.4219 5.4219 5.7405 5.7405 6.3243 6.3243 6.3914 6.3914 6.4673 6.4673 7.1959 7.1959 7.5347 7.5347 7.6496 7.6496 7.8005 7.8005 7.8311 7.8311 11.0565 11.0565 11.3048 11.3048 11.3493 11.3493 11.3660 11.3660 11.9107 11.9107 12.4168 12.4168 12.5019 12.5019 12.9016 12.9016 k = 0.0778 0.1347 0.8446 ( 6824 PWs) bands (ev): -31.3551 -31.3551 -31.3431 -31.3431 -31.3427 -31.3427 -12.6774 -12.6774 -12.6715 -12.6715 -12.6384 -12.6384 -12.3258 -12.3258 -12.3189 -12.3189 -12.2915 -12.2915 -12.2748 -12.2748 -12.2604 -12.2604 -12.2151 -12.2151 -1.1602 -1.1602 -0.9496 -0.9496 -0.7496 -0.7496 3.6781 3.6781 4.1569 4.1569 4.2125 4.2125 4.2881 4.2881 4.3870 4.3870 4.5274 4.5274 4.6914 4.6914 4.7416 4.7416 4.8830 4.8830 5.0174 5.0174 5.0880 5.0880 5.1537 5.1537 5.2578 5.2578 5.3117 5.3117 5.4357 5.4357 5.7759 5.7759 6.2972 6.2972 6.3661 6.3661 6.4794 6.4794 7.2343 7.2343 7.5294 7.5294 7.6349 7.6349 7.7646 7.7646 7.7917 7.7917 11.1213 11.1213 11.3007 11.3007 11.3293 11.3293 11.3677 11.3677 11.9304 11.9304 12.4107 12.4107 12.5105 12.5105 12.8254 12.8254 k = 0.0667 0.1155 0.8446 ( 6820 PWs) bands (ev): -31.3552 -31.3552 -31.3430 -31.3430 -31.3427 -31.3427 -12.6777 -12.6777 -12.6718 -12.6718 -12.6382 -12.6382 -12.3258 -12.3258 -12.3198 -12.3198 -12.2916 -12.2916 -12.2741 -12.2741 -12.2606 -12.2606 -12.2141 -12.2141 -1.1609 -1.1609 -0.9528 -0.9528 -0.7475 -0.7475 3.6885 3.6885 4.1532 4.1532 4.2138 4.2138 4.2839 4.2839 4.3936 4.3936 4.5203 4.5203 4.6933 4.6933 4.7414 4.7414 4.8931 4.8931 5.0188 5.0188 5.0891 5.0891 5.1536 5.1536 5.2541 5.2541 5.3037 5.3037 5.4497 5.4497 5.8107 5.8107 6.2712 6.2712 6.3414 6.3414 6.4903 6.4903 7.2713 7.2713 7.5248 7.5248 7.6189 7.6189 7.7320 7.7320 7.7564 7.7564 11.1818 11.1818 11.2919 11.2919 11.3100 11.3100 11.3717 11.3717 11.9604 11.9604 12.4050 12.4050 12.5187 12.5187 12.7497 12.7497 k = 0.0556 0.0962 0.8446 ( 6820 PWs) bands (ev): -31.3553 -31.3553 -31.3429 -31.3429 -31.3427 -31.3427 -12.6780 -12.6780 -12.6720 -12.6720 -12.6379 -12.6379 -12.3259 -12.3259 -12.3206 -12.3206 -12.2917 -12.2917 -12.2735 -12.2735 -12.2607 -12.2607 -12.2133 -12.2133 -1.1615 -1.1615 -0.9555 -0.9555 -0.7457 -0.7457 3.6975 3.6975 4.1495 4.1495 4.2149 4.2149 4.2805 4.2805 4.4003 4.4003 4.5132 4.5132 4.6946 4.6946 4.7416 4.7416 4.9025 4.9025 5.0199 5.0199 5.0909 5.0909 5.1535 5.1535 5.2501 5.2501 5.2962 5.2962 5.4634 5.4634 5.8443 5.8443 6.2469 6.2469 6.3175 6.3175 6.4998 6.4998 7.3065 7.3065 7.5205 7.5205 7.6019 7.6019 7.7037 7.7037 7.7255 7.7255 11.2345 11.2345 11.2821 11.2821 11.2933 11.2933 11.3760 11.3760 11.9990 11.9990 12.3999 12.3999 12.5262 12.5262 12.6753 12.6753 k = 0.0444 0.0770 0.8446 ( 6820 PWs) bands (ev): -31.3554 -31.3554 -31.3428 -31.3428 -31.3427 -31.3427 -12.6782 -12.6782 -12.6722 -12.6722 -12.6377 -12.6377 -12.3259 -12.3259 -12.3213 -12.3213 -12.2918 -12.2918 -12.2729 -12.2729 -12.2609 -12.2609 -12.2127 -12.2127 -1.1621 -1.1621 -0.9577 -0.9577 -0.7443 -0.7443 3.7051 3.7051 4.1462 4.1462 4.2158 4.2158 4.2779 4.2779 4.4068 4.4068 4.5065 4.5065 4.6954 4.6954 4.7418 4.7418 4.9109 4.9109 5.0205 5.0205 5.0935 5.0935 5.1537 5.1537 5.2458 5.2458 5.2896 5.2896 5.4760 5.4760 5.8757 5.8757 6.2252 6.2252 6.2950 6.2950 6.5078 6.5078 7.3396 7.3396 7.5161 7.5161 7.5847 7.5847 7.6804 7.6804 7.6992 7.6992 11.2593 11.2593 11.2783 11.2783 11.2924 11.2924 11.3807 11.3807 12.0440 12.0440 12.3956 12.3956 12.5321 12.5321 12.6035 12.6035 k = 0.0333 0.0577 0.8446 ( 6838 PWs) bands (ev): -31.3555 -31.3555 -31.3427 -31.3427 -31.3427 -31.3427 -12.6784 -12.6784 -12.6723 -12.6723 -12.6376 -12.6376 -12.3258 -12.3258 -12.3219 -12.3219 -12.2919 -12.2919 -12.2725 -12.2725 -12.2610 -12.2610 -12.2122 -12.2122 -1.1625 -1.1625 -0.9595 -0.9595 -0.7431 -0.7431 3.7111 3.7111 4.1432 4.1432 4.2165 4.2165 4.2759 4.2759 4.4127 4.4127 4.5004 4.5004 4.6958 4.6958 4.7421 4.7421 4.9178 4.9178 5.0206 5.0206 5.0965 5.0965 5.1539 5.1539 5.2413 5.2413 5.2844 5.2844 5.4868 5.4868 5.9036 5.9036 6.2067 6.2067 6.2749 6.2749 6.5141 6.5141 7.3702 7.3702 7.5109 7.5109 7.5685 7.5685 7.6625 7.6625 7.6777 7.6777 11.2530 11.2530 11.2662 11.2662 11.3250 11.3250 11.3860 11.3860 12.0934 12.0934 12.3921 12.3921 12.5223 12.5223 12.5492 12.5492 k = 0.0222 0.0385 0.8446 ( 6850 PWs) bands (ev): -31.3555 -31.3555 -31.3427 -31.3427 -31.3427 -31.3427 -12.6786 -12.6786 -12.6724 -12.6724 -12.6375 -12.6375 -12.3258 -12.3258 -12.3224 -12.3224 -12.2920 -12.2920 -12.2722 -12.2722 -12.2611 -12.2611 -12.2118 -12.2118 -1.1628 -1.1628 -0.9608 -0.9608 -0.7423 -0.7423 3.7154 3.7154 4.1410 4.1410 4.2171 4.2171 4.2745 4.2745 4.4177 4.4177 4.4954 4.4954 4.6960 4.6960 4.7424 4.7424 4.9230 4.9230 5.0204 5.0204 5.0995 5.0995 5.1542 5.1542 5.2373 5.2373 5.2807 5.2807 5.4952 5.4952 5.9262 5.9262 6.1923 6.1923 6.2586 6.2586 6.5187 6.5187 7.3972 7.3972 7.5038 7.5038 7.5553 7.5553 7.6504 7.6504 7.6611 7.6611 11.2459 11.2459 11.2569 11.2569 11.3486 11.3486 11.3928 11.3928 12.1440 12.1440 12.3895 12.3895 12.4641 12.4641 12.5470 12.5470 k = 0.0111 0.0192 0.8446 ( 6854 PWs) bands (ev): -31.3556 -31.3556 -31.3427 -31.3427 -31.3427 -31.3427 -12.6787 -12.6787 -12.6725 -12.6725 -12.6375 -12.6375 -12.3257 -12.3257 -12.3227 -12.3227 -12.2920 -12.2920 -12.2721 -12.2721 -12.2612 -12.2612 -12.2116 -12.2116 -1.1629 -1.1629 -0.9615 -0.9615 -0.7418 -0.7418 3.7180 3.7180 4.1396 4.1396 4.2174 4.2174 4.2738 4.2738 4.4210 4.4210 4.4920 4.4920 4.6961 4.6961 4.7426 4.7426 4.9263 4.9263 5.0201 5.0201 5.1016 5.1016 5.1545 5.1545 5.2345 5.2345 5.2785 5.2785 5.5005 5.5005 5.9413 5.9413 6.1830 6.1830 6.2477 6.2477 6.5214 6.5214 7.4181 7.4181 7.4953 7.4953 7.5470 7.5470 7.6442 7.6442 7.6498 7.6498 11.2414 11.2414 11.2510 11.2510 11.3605 11.3605 11.3998 11.3998 12.1892 12.1892 12.3879 12.3879 12.4113 12.4113 12.5492 12.5492 k = 0.0000 0.0000 0.8446 ( 6882 PWs) bands (ev): -31.3556 -31.3556 -31.3427 -31.3427 -31.3427 -31.3427 -12.6787 -12.6787 -12.6725 -12.6725 -12.6375 -12.6375 -12.3258 -12.3258 -12.3228 -12.3228 -12.2920 -12.2920 -12.2720 -12.2720 -12.2613 -12.2613 -12.2116 -12.2116 -1.1630 -1.1630 -0.9618 -0.9618 -0.7416 -0.7416 3.7189 3.7189 4.1390 4.1390 4.2174 4.2174 4.2735 4.2735 4.4222 4.4222 4.4907 4.4907 4.6961 4.6961 4.7427 4.7427 4.9274 4.9274 5.0200 5.0200 5.1024 5.1024 5.1546 5.1546 5.2335 5.2335 5.2777 5.2777 5.5022 5.5022 5.9466 5.9466 6.1798 6.1798 6.2438 6.2438 6.5223 6.5223 7.4270 7.4270 7.4906 7.4906 7.5442 7.5442 7.6438 7.6438 7.6443 7.6443 11.2398 11.2398 11.2490 11.2490 11.3638 11.3638 11.4029 11.4029 12.2104 12.2104 12.3861 12.3861 12.3887 12.3887 12.5500 12.5500 k = 0.5000 0.2887 0.8446 ( 6788 PWs) bands (ev): -31.3512 -31.3512 -31.3469 -31.3469 -31.3427 -31.3427 -12.6741 -12.6741 -12.6590 -12.6590 -12.6483 -12.6483 -12.3204 -12.3204 -12.3015 -12.3015 -12.2920 -12.2920 -12.2807 -12.2807 -12.2626 -12.2626 -12.2359 -12.2359 -1.1465 -1.1465 -0.8648 -0.8648 -0.8123 -0.8123 3.4695 3.4695 4.1602 4.1602 4.1926 4.1926 4.2428 4.2428 4.4538 4.4538 4.6025 4.6025 4.7004 4.7004 4.7656 4.7656 4.8864 4.8864 5.0033 5.0033 5.0716 5.0716 5.1623 5.1623 5.2027 5.2027 5.2796 5.2796 5.3797 5.3797 5.4547 5.4547 6.2037 6.2037 6.2444 6.2444 6.7320 6.7320 7.5917 7.5917 7.6447 7.6447 7.7639 7.7639 7.8505 7.8505 8.2750 8.2750 10.8018 10.8018 10.9726 10.9726 11.0942 11.0942 11.9031 11.9031 12.2685 12.2685 12.4799 12.4799 12.5165 12.5165 12.5562 12.5562 k = 0.5000 0.2887 0.8218 ( 6790 PWs) bands (ev): -31.3512 -31.3512 -31.3469 -31.3469 -31.3427 -31.3427 -12.6741 -12.6740 -12.6590 -12.6589 -12.6483 -12.6482 -12.3205 -12.3203 -12.3017 -12.3013 -12.2920 -12.2919 -12.2807 -12.2805 -12.2626 -12.2626 -12.2359 -12.2359 -1.1472 -1.1472 -0.8655 -0.8654 -0.8126 -0.8125 3.4694 3.4707 4.1602 4.1604 4.1901 4.1946 4.2371 4.2491 4.4515 4.4561 4.5998 4.6044 4.7001 4.7007 4.7567 4.7738 4.8862 4.8863 4.9923 5.0107 5.0636 5.0788 5.1573 5.1665 5.1886 5.2174 5.2773 5.2837 5.3595 5.4006 5.4472 5.4647 6.1965 6.1996 6.2452 6.2480 6.7344 6.7374 7.5931 7.5988 7.6449 7.6450 7.7511 7.7700 7.8433 7.8645 8.2744 8.2781 10.8040 10.8054 10.9638 10.9744 11.0917 11.1035 11.9025 11.9038 12.2642 12.2671 12.4742 12.4778 12.5122 12.5176 12.5595 12.5611 k = 0.5000 0.2887 0.7989 ( 6786 PWs) bands (ev): -31.3512 -31.3512 -31.3470 -31.3470 -31.3427 -31.3427 -12.6741 -12.6740 -12.6590 -12.6588 -12.6482 -12.6481 -12.3205 -12.3202 -12.3018 -12.3010 -12.2919 -12.2917 -12.2807 -12.2803 -12.2625 -12.2625 -12.2359 -12.2359 -1.1494 -1.1494 -0.8674 -0.8672 -0.8131 -0.8129 3.4703 3.4728 4.1603 4.1608 4.1873 4.1960 4.2323 4.2558 4.4493 4.4587 4.5965 4.6055 4.6997 4.7009 4.7474 4.7810 4.8857 4.8857 4.9777 5.0153 5.0558 5.0844 5.1518 5.1692 5.1776 5.2289 5.2754 5.2910 5.3439 5.4071 5.4568 5.4752 6.1761 6.1858 6.2493 6.2591 6.7444 6.7496 7.6022 7.6134 7.6462 7.6465 7.7358 7.7663 7.8464 7.8815 8.2763 8.2836 10.8121 10.8149 10.9505 10.9687 11.0964 11.1171 11.9021 11.9047 12.2548 12.2604 12.4648 12.4696 12.5027 12.5090 12.5716 12.5766 k = 0.5000 0.2887 0.7761 ( 6784 PWs) bands (ev): -31.3512 -31.3512 -31.3470 -31.3470 -31.3427 -31.3427 -12.6740 -12.6739 -12.6590 -12.6586 -12.6481 -12.6479 -12.3205 -12.3201 -12.3018 -12.3007 -12.2918 -12.2915 -12.2806 -12.2801 -12.2625 -12.2625 -12.2360 -12.2358 -1.1531 -1.1530 -0.8706 -0.8703 -0.8140 -0.8137 3.4722 3.4759 4.1607 4.1613 4.1844 4.1963 4.2285 4.2629 4.4472 4.4613 4.5924 4.6053 4.6991 4.7011 4.7385 4.7870 4.8845 4.8849 4.9603 5.0177 5.0484 5.0878 5.1464 5.1657 5.1746 5.2346 5.2729 5.2996 5.3348 5.3954 5.4875 5.4881 6.1448 6.1614 6.2590 6.2770 6.7607 6.7669 7.6151 7.6294 7.6516 7.6536 7.7207 7.7565 7.8570 7.8992 8.2806 8.2914 10.8257 10.8302 10.9353 10.9574 11.1067 11.1326 11.9015 11.9052 12.2415 12.2492 12.4542 12.4593 12.4845 12.4907 12.5918 12.5999 k = 0.5000 0.2887 0.7533 ( 6788 PWs) bands (ev): -31.3513 -31.3513 -31.3470 -31.3470 -31.3427 -31.3427 -12.6740 -12.6738 -12.6589 -12.6584 -12.6480 -12.6477 -12.3206 -12.3200 -12.3017 -12.3002 -12.2917 -12.2913 -12.2805 -12.2798 -12.2624 -12.2624 -12.2360 -12.2358 -1.1582 -1.1580 -0.8749 -0.8747 -0.8152 -0.8148 3.4751 3.4800 4.1611 4.1619 4.1814 4.1952 4.2262 4.2702 4.4452 4.4640 4.5875 4.6033 4.6979 4.7014 4.7307 4.7916 4.8824 4.8840 4.9422 5.0186 5.0410 5.0891 5.1416 5.1593 5.1759 5.2353 5.2693 5.3023 5.3339 5.3784 5.5067 5.5266 6.1062 6.1276 6.2753 6.3004 6.7817 6.7877 7.6227 7.6361 7.6668 7.6726 7.7094 7.7488 7.8708 7.9167 8.2875 8.3013 10.8445 10.8513 10.9201 10.9433 11.1199 11.1489 11.9003 11.9050 12.2257 12.2350 12.4427 12.4483 12.4595 12.4658 12.6173 12.6278 k = 0.5000 0.2887 0.7305 ( 6776 PWs) bands (ev): -31.3513 -31.3513 -31.3470 -31.3470 -31.3427 -31.3427 -12.6739 -12.6737 -12.6588 -12.6582 -12.6478 -12.6473 -12.3206 -12.3199 -12.3015 -12.2997 -12.2915 -12.2910 -12.2803 -12.2794 -12.2623 -12.2622 -12.2359 -12.2357 -1.1646 -1.1644 -0.8805 -0.8802 -0.8167 -0.8162 3.4789 3.4852 4.1616 4.1622 4.1785 4.1928 4.2255 4.2779 4.4433 4.4668 4.5814 4.5991 4.6959 4.7017 4.7251 4.7949 4.8787 4.8829 4.9254 5.0182 5.0332 5.0884 5.1379 5.1541 5.1770 5.2333 5.2638 5.2994 5.3351 5.3608 5.5341 5.5706 6.0630 6.0872 6.2976 6.3284 6.8056 6.8106 7.6227 7.6378 7.6783 7.6862 7.7176 7.7576 7.8853 7.9335 8.2967 8.3133 10.8658 10.8774 10.9084 10.9290 11.1344 11.1649 11.8977 11.9031 12.2084 12.2189 12.4296 12.4300 12.4365 12.4375 12.6462 12.6586 k = 0.5000 0.2887 0.7076 ( 6780 PWs) bands (ev): -31.3513 -31.3513 -31.3471 -31.3471 -31.3428 -31.3428 -12.6739 -12.6736 -12.6587 -12.6579 -12.6475 -12.6470 -12.3206 -12.3198 -12.3014 -12.2992 -12.2913 -12.2906 -12.2800 -12.2790 -12.2621 -12.2620 -12.2359 -12.2357 -1.1723 -1.1721 -0.8872 -0.8868 -0.8186 -0.8180 3.4837 3.4912 4.1619 4.1620 4.1761 4.1893 4.2259 4.2857 4.4414 4.4696 4.5741 4.5921 4.6930 4.7021 4.7223 4.7966 4.8724 4.8817 4.9122 5.0166 5.0242 5.0863 5.1351 5.1498 5.1778 5.2298 5.2555 5.2951 5.3318 5.3446 5.5706 5.6181 6.0174 6.0425 6.3250 6.3604 6.8314 6.8349 7.6179 7.6385 7.6743 7.6818 7.7533 7.7913 7.8996 7.9492 8.3082 8.3271 10.8750 10.9023 10.9155 10.9221 11.1489 11.1803 11.8929 11.8986 12.1904 12.2020 12.3987 12.4046 12.4181 12.4236 12.6773 12.6912 k = 0.5000 0.2887 0.6848 ( 6792 PWs) bands (ev): -31.3514 -31.3514 -31.3471 -31.3471 -31.3428 -31.3428 -12.6738 -12.6735 -12.6585 -12.6577 -12.6473 -12.6467 -12.3206 -12.3197 -12.3011 -12.2986 -12.2911 -12.2902 -12.2796 -12.2786 -12.2619 -12.2618 -12.2359 -12.2356 -1.1812 -1.1809 -0.8949 -0.8945 -0.8207 -0.8201 3.4893 3.4982 4.1607 4.1622 4.1745 4.1851 4.2271 4.2937 4.4394 4.4724 4.5651 4.5825 4.6895 4.7026 4.7224 4.7967 4.8634 4.8805 4.9037 5.0136 5.0138 5.0836 5.1329 5.1462 5.1782 5.2257 5.2441 5.2909 5.3231 5.3314 5.6144 5.6679 5.9716 5.9959 6.3570 6.3957 6.8583 6.8601 7.6100 7.6390 7.6702 7.6706 7.7990 7.8378 7.9131 7.9637 8.3217 8.3424 10.8672 10.8971 10.9468 10.9521 11.1630 11.1947 11.8847 11.8904 12.1724 12.1850 12.3679 12.3743 12.4032 12.4095 12.7098 12.7252 k = 0.5000 0.2887 0.6620 ( 6792 PWs) bands (ev): -31.3514 -31.3514 -31.3471 -31.3471 -31.3429 -31.3429 -12.6737 -12.6734 -12.6583 -12.6574 -12.6469 -12.6463 -12.3206 -12.3196 -12.3009 -12.2980 -12.2908 -12.2898 -12.2791 -12.2780 -12.2617 -12.2616 -12.2359 -12.2355 -1.1911 -1.1909 -0.9037 -0.9032 -0.8232 -0.8225 3.4959 3.5061 4.1582 4.1617 4.1739 4.1810 4.2288 4.3020 4.4372 4.4751 4.5544 4.5705 4.6858 4.7030 4.7246 4.7953 4.8533 4.8793 4.8989 5.0007 5.0100 5.0809 5.1309 5.1429 5.1784 5.2213 5.2302 5.2866 5.3106 5.3216 5.6626 5.7180 5.9285 5.9497 6.3928 6.4342 6.8858 6.8859 7.6000 7.6383 7.6601 7.6694 7.8494 7.8899 7.9257 7.9772 8.3370 8.3590 10.8576 10.8867 10.9874 10.9945 11.1762 11.2080 11.8723 11.8774 12.1549 12.1685 12.3400 12.3465 12.3872 12.3939 12.7431 12.7599 k = 0.5000 0.2887 0.6392 ( 6786 PWs) bands (ev): -31.3515 -31.3515 -31.3472 -31.3472 -31.3429 -31.3429 -12.6736 -12.6732 -12.6581 -12.6570 -12.6466 -12.6459 -12.3206 -12.3195 -12.3005 -12.2974 -12.2906 -12.2893 -12.2786 -12.2774 -12.2614 -12.2613 -12.2358 -12.2354 -1.2021 -1.2019 -0.9133 -0.9128 -0.8261 -0.8253 3.5033 3.5148 4.1547 4.1602 4.1739 4.1773 4.2308 4.3104 4.4348 4.4777 4.5419 4.5567 4.6822 4.7033 4.7284 4.7926 4.8441 4.8781 4.8959 4.9855 5.0050 5.0787 5.1286 5.1395 5.1787 5.2152 5.2168 5.2811 5.2970 5.3147 5.7111 5.7613 5.8959 5.9078 6.4320 6.4752 6.9122 6.9136 7.5893 7.6326 7.6565 7.6719 7.9021 7.9370 7.9450 7.9900 8.3536 8.3766 10.8497 10.8784 11.0338 11.0424 11.1883 11.2198 11.8548 11.8587 12.1380 12.1528 12.3166 12.3228 12.3701 12.3771 12.7767 12.7949 k = 0.5000 0.2887 0.6163 ( 6782 PWs) bands (ev): -31.3515 -31.3515 -31.3472 -31.3472 -31.3430 -31.3430 -12.6734 -12.6730 -12.6578 -12.6567 -12.6461 -12.6454 -12.3205 -12.3194 -12.3001 -12.2967 -12.2903 -12.2888 -12.2779 -12.2768 -12.2610 -12.2609 -12.2357 -12.2353 -1.2140 -1.2137 -0.9238 -0.9232 -0.8292 -0.8283 3.5116 3.5245 4.1506 4.1573 4.1741 4.1746 4.2328 4.3189 4.4318 4.4800 4.5276 4.5419 4.6784 4.7030 4.7333 4.7892 4.8362 4.8771 4.8939 4.9676 4.9989 5.0771 5.1257 5.1358 5.1788 5.2006 5.2121 5.2705 5.2874 5.3098 5.7486 5.7755 5.8812 5.8963 6.4739 6.5186 6.9390 6.9416 7.5789 7.6226 7.6604 7.6779 7.9478 7.9541 8.0007 8.0036 8.3713 8.3948 10.8445 10.8730 11.0851 11.0950 11.1990 11.2302 11.8319 11.8340 12.1217 12.1381 12.2988 12.3045 12.3522 12.3590 12.8100 12.8296 k = 0.5000 0.2887 0.5935 ( 6788 PWs) bands (ev): -31.3516 -31.3516 -31.3473 -31.3473 -31.3430 -31.3430 -12.6733 -12.6728 -12.6576 -12.6563 -12.6457 -12.6449 -12.3205 -12.3193 -12.2997 -12.2960 -12.2900 -12.2882 -12.2772 -12.2760 -12.2607 -12.2605 -12.2357 -12.2352 -1.2267 -1.2264 -0.9351 -0.9345 -0.8325 -0.8317 3.5206 3.5349 4.1460 4.1528 4.1728 4.1743 4.2349 4.3276 4.4280 4.4819 4.5118 4.5268 4.6744 4.7020 4.7389 4.7859 4.8295 4.8761 4.8918 4.9476 4.9919 5.0761 5.1220 5.1314 5.1782 5.1886 5.2074 5.2547 5.2828 5.3061 5.7509 5.7533 5.8939 5.9372 6.5182 6.5639 6.9662 6.9698 7.5694 7.6122 7.6688 7.6872 7.9575 7.9944 8.0281 8.0563 8.3897 8.4134 10.8425 10.8710 11.1405 11.1516 11.2082 11.2390 11.8038 11.8040 12.1059 12.1242 12.2869 12.2919 12.3342 12.3404 12.8424 12.8636 k = 0.5000 0.2887 0.5707 ( 6788 PWs) bands (ev): -31.3516 -31.3516 -31.3474 -31.3474 -31.3431 -31.3431 -12.6731 -12.6727 -12.6572 -12.6559 -12.6453 -12.6444 -12.3205 -12.3192 -12.2993 -12.2953 -12.2897 -12.2876 -12.2763 -12.2753 -12.2603 -12.2601 -12.2356 -12.2351 -1.2401 -1.2398 -0.9470 -0.9463 -0.8362 -0.8353 3.5303 3.5460 4.1411 4.1473 4.1716 4.1743 4.2369 4.3363 4.4229 4.4832 4.4947 4.5123 4.6702 4.6999 4.7449 4.7832 4.8235 4.8752 4.8886 4.9271 4.9840 5.0755 5.1176 5.1264 5.1724 5.1841 5.2021 5.2379 5.2798 5.3032 5.7199 5.7236 5.9405 5.9934 6.5642 6.6108 6.9939 6.9982 7.5614 7.6029 7.6809 7.7002 7.9664 8.0115 8.0743 8.1106 8.4084 8.4321 10.8438 10.8726 11.1994 11.2112 11.2161 11.2464 11.7694 11.7721 12.0901 12.1108 12.2805 12.2844 12.3172 12.3220 12.8735 12.8963 k = 0.5000 0.2887 0.5478 ( 6796 PWs) bands (ev): -31.3517 -31.3517 -31.3474 -31.3474 -31.3431 -31.3431 -12.6729 -12.6725 -12.6569 -12.6556 -12.6448 -12.6439 -12.3205 -12.3191 -12.2989 -12.2946 -12.2894 -12.2871 -12.2754 -12.2744 -12.2598 -12.2596 -12.2355 -12.2350 -1.2540 -1.2537 -0.9595 -0.9588 -0.8401 -0.8391 3.5407 3.5579 4.1358 4.1410 4.1704 4.1740 4.2389 4.3450 4.4159 4.4760 4.4845 4.4992 4.6655 4.6964 4.7511 4.7812 4.8180 4.8743 4.8804 4.9105 4.9755 5.0751 5.1127 5.1207 5.1639 5.1846 5.1947 5.2229 5.2776 5.3008 5.6857 5.6886 5.9986 6.0540 6.6117 6.6590 7.0224 7.0271 7.5553 7.5955 7.6969 7.7172 7.9746 8.0218 8.1248 8.1627 8.4272 8.4507 10.8482 10.8776 11.2215 11.2496 11.2637 11.2742 11.7322 11.7376 12.0735 12.0973 12.2782 12.2808 12.3033 12.3056 12.9026 12.9270 k = 0.5000 0.2887 0.5250 ( 6804 PWs) bands (ev): -31.3518 -31.3518 -31.3475 -31.3475 -31.3432 -31.3432 -12.6728 -12.6723 -12.6566 -12.6552 -12.6443 -12.6434 -12.3205 -12.3191 -12.2984 -12.2940 -12.2891 -12.2865 -12.2745 -12.2736 -12.2593 -12.2591 -12.2354 -12.2349 -1.2683 -1.2680 -0.9724 -0.9717 -0.8441 -0.8432 3.5518 3.5705 4.1301 4.1342 4.1690 4.1732 4.2407 4.3535 4.4065 4.4574 4.4844 4.4880 4.6605 4.6913 4.7571 4.7793 4.8126 4.8636 4.8731 4.9028 4.9668 5.0743 5.1078 5.1145 5.1566 5.1827 5.1863 5.2126 5.2759 5.2988 5.6535 5.6539 6.0600 6.1159 6.6599 6.7079 7.0520 7.0567 7.5515 7.5904 7.7172 7.7385 7.9823 8.0305 8.1740 8.2119 8.4458 8.4688 10.8556 10.8859 11.2256 11.2552 11.3260 11.3381 11.6938 11.7020 12.0552 12.0827 12.2775 12.2781 12.2945 12.2960 12.9289 12.9550 k = 0.5000 0.2887 0.5022 ( 6816 PWs) bands (ev): -31.3519 -31.3519 -31.3476 -31.3476 -31.3433 -31.3433 -12.6726 -12.6721 -12.6563 -12.6548 -12.6438 -12.6428 -12.3205 -12.3190 -12.2979 -12.2934 -12.2887 -12.2860 -12.2734 -12.2726 -12.2588 -12.2585 -12.2353 -12.2347 -1.2830 -1.2827 -0.9857 -0.9850 -0.8484 -0.8474 3.5635 3.5837 4.1242 4.1271 4.1674 4.1720 4.2423 4.3613 4.3947 4.4386 4.4790 4.4837 4.6550 4.6843 4.7629 4.7758 4.8074 4.8444 4.8713 4.9003 4.9583 5.0727 5.1035 5.1081 5.1507 5.1661 5.1884 5.2073 5.2745 5.2970 5.6217 5.6242 6.1217 6.1772 6.7085 6.7569 7.0831 7.0876 7.5503 7.5880 7.7420 7.7644 7.9895 8.0386 8.2204 8.2577 8.4640 8.4864 10.8651 10.8967 11.2282 11.2581 11.3901 11.4019 11.6561 11.6670 12.0347 12.0661 12.2743 12.2751 12.2941 12.2975 12.9517 12.9796 k = 0.5000 0.2887 0.4794 ( 6816 PWs) bands (ev): -31.3519 -31.3519 -31.3476 -31.3476 -31.3433 -31.3433 -12.6724 -12.6719 -12.6559 -12.6544 -12.6432 -12.6423 -12.3205 -12.3190 -12.2975 -12.2929 -12.2882 -12.2854 -12.2724 -12.2716 -12.2581 -12.2579 -12.2351 -12.2345 -1.2979 -1.2977 -0.9993 -0.9985 -0.8528 -0.8519 3.5757 3.5975 4.1181 4.1196 4.1653 4.1703 4.2438 4.3673 4.3808 4.4212 4.4719 4.4821 4.6491 4.6753 4.7674 4.7683 4.8025 4.8299 4.8685 4.8994 4.9509 5.0696 5.1004 5.1016 5.1460 5.1474 5.1909 5.2046 5.2736 5.2953 5.5930 5.5981 6.1821 6.2365 6.7566 6.8056 7.1166 7.1205 7.5523 7.5890 7.7715 7.7949 7.9964 8.0465 8.2633 8.2995 8.4817 8.5034 10.8757 10.9090 11.2295 11.2600 11.4531 11.4634 11.6210 11.6339 12.0118 12.0474 12.2730 12.2758 12.3009 12.3044 12.9703 12.9997 k = 0.5000 0.2887 0.4565 ( 6822 PWs) bands (ev): -31.3520 -31.3520 -31.3477 -31.3477 -31.3434 -31.3434 -12.6723 -12.6718 -12.6556 -12.6540 -12.6427 -12.6417 -12.3205 -12.3190 -12.2970 -12.2925 -12.2877 -12.2849 -12.2712 -12.2706 -12.2575 -12.2573 -12.2349 -12.2343 -1.3130 -1.3127 -1.0130 -1.0122 -0.8574 -0.8564 3.5884 3.6118 4.1116 4.1119 4.1629 4.1680 4.2451 4.3653 4.3683 4.4084 4.4660 4.4796 4.6430 4.6637 4.7529 4.7731 4.7985 4.8229 4.8642 4.8993 4.9452 5.0646 5.0955 5.0979 5.1292 5.1424 5.1935 5.2031 5.2730 5.2939 5.5678 5.5752 6.2398 6.2927 6.8036 6.8530 7.1533 7.1562 7.5578 7.5938 7.8058 7.8302 8.0032 8.0543 8.3022 8.3372 8.4986 8.5195 10.8859 10.9209 11.2302 11.2616 11.5123 11.5177 11.5918 11.6044 11.9879 12.0277 12.2783 12.2830 12.3109 12.3144 12.9840 13.0146 k = 0.5000 0.2887 0.4337 ( 6818 PWs) bands (ev): -31.3521 -31.3521 -31.3478 -31.3478 -31.3435 -31.3435 -12.6721 -12.6716 -12.6552 -12.6536 -12.6421 -12.6412 -12.3205 -12.3190 -12.2966 -12.2921 -12.2871 -12.2843 -12.2701 -12.2695 -12.2569 -12.2566 -12.2347 -12.2341 -1.3280 -1.3277 -1.0267 -1.0260 -0.8620 -0.8610 3.6016 3.6267 4.1039 4.1048 4.1600 4.1652 4.2462 4.3488 4.3593 4.4050 4.4607 4.4764 4.6367 4.6488 4.7357 4.7773 4.7950 4.8217 4.8582 4.8994 4.9417 5.0570 5.0898 5.0933 5.1155 5.1397 5.1963 5.2023 5.2728 5.2926 5.5463 5.5554 6.2936 6.3445 6.8486 6.8983 7.1941 7.1956 7.5674 7.6031 7.8448 7.8702 8.0099 8.0624 8.3371 8.3705 8.5147 8.5348 10.8936 10.9304 11.2313 11.2636 11.5431 11.5634 11.5800 11.5879 11.9660 12.0096 12.2912 12.2973 12.3232 12.3267 12.9923 13.0236 k = 0.5000 0.2887 0.4109 ( 6814 PWs) bands (ev): -31.3522 -31.3522 -31.3479 -31.3479 -31.3436 -31.3436 -12.6719 -12.6714 -12.6548 -12.6533 -12.6416 -12.6406 -12.3205 -12.3191 -12.2961 -12.2919 -12.2865 -12.2838 -12.2688 -12.2684 -12.2561 -12.2559 -12.2344 -12.2338 -1.3429 -1.3427 -1.0405 -1.0397 -0.8667 -0.8657 3.6152 3.6419 4.0958 4.0977 4.1567 4.1619 4.2471 4.3318 4.3430 4.4080 4.4556 4.4728 4.6301 4.6303 4.7199 4.7809 4.7918 4.8236 4.8507 4.8998 4.9402 5.0458 5.0839 5.0847 5.1108 5.1377 5.1992 5.2020 5.2728 5.2914 5.5281 5.5383 6.3425 6.3909 6.8909 6.9405 7.2396 7.2397 7.5815 7.6174 7.8882 7.9149 8.0169 8.0709 8.3677 8.3995 8.5300 8.5491 10.8968 10.9347 11.2336 11.2665 11.5299 11.5609 11.6019 11.6153 11.9510 11.9977 12.3108 12.3173 12.3382 12.3422 12.9953 13.0264 k = 0.5000 0.2887 0.3881 ( 6816 PWs) bands (ev): -31.3523 -31.3523 -31.3479 -31.3479 -31.3436 -31.3436 -12.6717 -12.6712 -12.6544 -12.6529 -12.6410 -12.6401 -12.3205 -12.3191 -12.2958 -12.2917 -12.2858 -12.2832 -12.2676 -12.2673 -12.2554 -12.2552 -12.2342 -12.2336 -1.3576 -1.3574 -1.0541 -1.0533 -0.8713 -0.8704 3.6291 3.6575 4.0875 4.0903 4.1529 4.1580 4.2477 4.3147 4.3242 4.4121 4.4501 4.4694 4.6081 4.6241 4.7070 4.7836 4.7890 4.8268 4.8424 4.9004 4.9403 5.0303 5.0747 5.0804 5.1110 5.1363 5.2020 5.2020 5.2732 5.2903 5.5130 5.5238 6.3856 6.4312 6.9296 6.9787 7.2887 7.2908 7.6004 7.6374 7.9356 7.9639 8.0249 8.0801 8.3942 8.4243 8.5445 8.5624 10.8938 10.9317 11.2376 11.2702 11.5163 11.5498 11.6199 11.6313 11.9490 11.9968 12.3330 12.3381 12.3592 12.3650 12.9932 13.0231 k = 0.5000 0.2887 0.3652 ( 6806 PWs) bands (ev): -31.3523 -31.3523 -31.3480 -31.3480 -31.3437 -31.3437 -12.6715 -12.6711 -12.6540 -12.6525 -12.6405 -12.6395 -12.3205 -12.3192 -12.2954 -12.2916 -12.2851 -12.2827 -12.2664 -12.2661 -12.2547 -12.2544 -12.2339 -12.2333 -1.3720 -1.3718 -1.0674 -1.0667 -0.8760 -0.8751 3.6434 3.6735 4.0792 4.0826 4.1488 4.1537 4.2479 4.2977 4.3047 4.4146 4.4441 4.4673 4.5841 4.6183 4.6969 4.7852 4.7865 4.8306 4.8340 4.9012 4.9412 5.0121 5.0681 5.0769 5.1130 5.1354 5.2023 5.2048 5.2738 5.2894 5.5004 5.5116 6.4227 6.4652 6.9641 7.0123 7.3431 7.3473 7.6242 7.6632 7.9845 8.0172 8.0360 8.0902 8.4167 8.4453 8.5579 8.5747 10.8835 10.9200 11.2430 11.2740 11.5090 11.5469 11.6148 11.6280 11.9631 12.0091 12.3515 12.3548 12.3912 12.3990 12.9869 13.0146 k = 0.5000 0.2887 0.3424 ( 6810 PWs) bands (ev): -31.3524 -31.3524 -31.3481 -31.3481 -31.3438 -31.3438 -12.6714 -12.6709 -12.6536 -12.6522 -12.6400 -12.6390 -12.3206 -12.3193 -12.2950 -12.2915 -12.2844 -12.2822 -12.2652 -12.2650 -12.2539 -12.2536 -12.2336 -12.2330 -1.3860 -1.3858 -1.0804 -1.0798 -0.8806 -0.8797 3.6579 3.6897 4.0709 4.0745 4.1443 4.1490 4.2472 4.2815 4.2850 4.4139 4.4375 4.4671 4.5597 4.6129 4.6891 4.7845 4.7854 4.8265 4.8344 4.9022 4.9418 4.9939 5.0635 5.0742 5.1156 5.1349 5.2027 5.2074 5.2745 5.2886 5.4901 5.5013 6.4536 6.4927 6.9940 7.0408 7.4026 7.4090 7.6526 7.6945 8.0223 8.0632 8.0745 8.1016 8.4354 8.4627 8.5704 8.5858 10.8658 10.8998 11.2481 11.2765 11.5075 11.5523 11.5897 11.6081 11.9902 12.0325 12.3667 12.3688 12.4316 12.4408 12.9781 13.0024 k = 0.5000 0.2887 0.3196 ( 6810 PWs) bands (ev): -31.3525 -31.3525 -31.3482 -31.3482 -31.3438 -31.3438 -12.6712 -12.6708 -12.6533 -12.6519 -12.6394 -12.6386 -12.3206 -12.3194 -12.2947 -12.2915 -12.2837 -12.2818 -12.2640 -12.2639 -12.2532 -12.2529 -12.2332 -12.2326 -1.3995 -1.3993 -1.0931 -1.0924 -0.8851 -0.8842 3.6726 3.7061 4.0628 4.0662 4.1395 4.1440 4.2443 4.2653 4.2677 4.4100 4.4301 4.4683 4.5368 4.6080 4.6831 4.7829 4.7835 4.8207 4.8380 4.9035 4.9399 4.9785 5.0602 5.0722 5.1184 5.1348 5.2032 5.2099 5.2754 5.2880 5.4817 5.4926 6.4787 6.5144 7.0193 7.0641 7.4664 7.4749 7.6849 7.7307 8.0393 8.1144 8.1163 8.1358 8.4509 8.4771 8.5820 8.5959 10.8414 10.8720 11.2515 11.2767 11.5070 11.5510 11.5647 11.5805 12.0247 12.0629 12.3806 12.3814 12.4753 12.4860 12.9694 12.9891 k = 0.5000 0.2887 0.2967 ( 6812 PWs) bands (ev): -31.3525 -31.3525 -31.3482 -31.3482 -31.3439 -31.3439 -12.6711 -12.6707 -12.6529 -12.6516 -12.6389 -12.6381 -12.3206 -12.3195 -12.2944 -12.2915 -12.2831 -12.2813 -12.2629 -12.2628 -12.2524 -12.2522 -12.2329 -12.2323 -1.4125 -1.4123 -1.1052 -1.1045 -0.8894 -0.8886 3.6874 3.7226 4.0548 4.0575 4.1343 4.1387 4.2357 4.2458 4.2598 4.4036 4.4222 4.4678 4.5183 4.6038 4.6783 4.7792 4.7817 4.8174 4.8411 4.9053 4.9323 4.9695 5.0580 5.0709 5.1214 5.1349 5.2039 5.2122 5.2765 5.2874 5.4749 5.4854 6.4985 6.5308 7.0403 7.0827 7.5334 7.5438 7.7201 7.7702 8.0525 8.1298 8.1786 8.2003 8.4636 8.4891 8.5926 8.6050 10.8111 10.8381 11.2524 11.2743 11.4917 11.5038 11.5627 11.5810 12.0626 12.0969 12.3932 12.3940 12.5171 12.5300 12.9644 12.9747 k = 0.5000 0.2887 0.2739 ( 6816 PWs) bands (ev): -31.3526 -31.3526 -31.3483 -31.3483 -31.3440 -31.3440 -12.6709 -12.6706 -12.6526 -12.6513 -12.6385 -12.6377 -12.3207 -12.3196 -12.2942 -12.2915 -12.2824 -12.2809 -12.2618 -12.2618 -12.2516 -12.2514 -12.2325 -12.2320 -1.4248 -1.4246 -1.1167 -1.1161 -0.8936 -0.8928 3.7023 3.7391 4.0472 4.0487 4.1289 4.1334 4.2219 4.2265 4.2573 4.3957 4.4137 4.4601 4.5095 4.6003 4.6745 4.7729 4.7810 4.8162 4.8436 4.9075 4.9193 4.9669 5.0567 5.0702 5.1243 5.1353 5.2047 5.2143 5.2776 5.2870 5.4693 5.4793 6.5137 6.5428 7.0573 7.0970 7.6023 7.6145 7.7567 7.8109 8.0677 8.1478 8.2446 8.2676 8.4742 8.4997 8.6022 8.6130 10.7759 10.7990 11.2508 11.2696 11.4514 11.4522 11.5637 11.5974 12.1019 12.1329 12.4048 12.4075 12.5519 12.5676 12.8949 12.9218 k = 0.5000 0.2887 0.2511 ( 6806 PWs) bands (ev): -31.3527 -31.3527 -31.3484 -31.3483 -31.3440 -31.3440 -12.6708 -12.6704 -12.6523 -12.6511 -12.6380 -12.6373 -12.3207 -12.3197 -12.2940 -12.2916 -12.2819 -12.2805 -12.2607 -12.2607 -12.2509 -12.2507 -12.2322 -12.2317 -1.4364 -1.4362 -1.1276 -1.1271 -0.8976 -0.8968 3.7172 3.7555 4.0397 4.0400 4.1232 4.1281 4.2066 4.2074 4.2569 4.3873 4.4051 4.4449 4.5102 4.5973 4.6715 4.7653 4.7806 4.8164 4.8454 4.9045 4.9102 4.9670 5.0561 5.0700 5.1272 5.1360 5.2056 5.2161 5.2788 5.2867 5.4649 5.4743 6.5251 6.5511 7.0710 7.1076 7.6715 7.6853 7.7933 7.8500 8.0872 8.1691 8.3116 8.3362 8.4846 8.5109 8.6109 8.6202 10.7365 10.7557 11.2474 11.2630 11.3961 11.4014 11.5693 11.6097 12.1417 12.1699 12.4168 12.4215 12.5748 12.5933 12.8160 12.8435 k = 0.5000 0.2887 0.2283 ( 6822 PWs) bands (ev): -31.3527 -31.3527 -31.3484 -31.3484 -31.3441 -31.3441 -12.6707 -12.6703 -12.6520 -12.6509 -12.6376 -12.6369 -12.3208 -12.3198 -12.2938 -12.2917 -12.2813 -12.2802 -12.2598 -12.2598 -12.2502 -12.2500 -12.2318 -12.2314 -1.4472 -1.4470 -1.1378 -1.1373 -0.9013 -0.9006 3.7320 3.7717 4.0308 4.0334 4.1171 4.1229 4.1885 4.1911 4.2572 4.3785 4.3964 4.4271 4.5154 4.5948 4.6691 4.7570 4.7806 4.8173 4.8466 4.8900 4.9133 4.9677 5.0561 5.0702 5.1298 5.1366 5.2065 5.2177 5.2799 5.2865 5.4614 5.4701 6.5334 6.5565 7.0818 7.1153 7.7391 7.7550 7.8288 7.8847 8.1130 8.1941 8.3748 8.4009 8.4997 8.5271 8.6187 8.6266 10.6935 10.7089 11.2426 11.2547 11.3400 11.3464 11.5708 11.6142 12.1818 12.2075 12.4297 12.4362 12.5843 12.6044 12.7477 12.7751 k = 0.5000 0.2887 0.2054 ( 6814 PWs) bands (ev): -31.3528 -31.3528 -31.3485 -31.3485 -31.3441 -31.3441 -12.6705 -12.6702 -12.6517 -12.6507 -12.6372 -12.6366 -12.3208 -12.3199 -12.2936 -12.2917 -12.2808 -12.2798 -12.2589 -12.2588 -12.2495 -12.2493 -12.2315 -12.2310 -1.4571 -1.4570 -1.1472 -1.1467 -0.9048 -0.9042 3.7468 3.7875 4.0222 4.0276 4.1106 4.1179 4.1701 4.1760 4.2581 4.3698 4.3880 4.4098 4.5222 4.5928 4.6674 4.7485 4.7810 4.8187 4.8472 4.8765 4.9169 4.9684 5.0568 5.0706 5.1323 5.1375 5.2076 5.2190 5.2810 5.2864 5.4586 5.4666 6.5393 6.5597 7.0904 7.1206 7.8022 7.8221 7.8634 7.9130 8.1459 8.2228 8.4238 8.4451 8.5361 8.5577 8.6257 8.6330 10.6473 10.6590 11.2367 11.2425 11.2871 11.2904 11.5649 11.6086 12.2219 12.2454 12.4437 12.4510 12.5822 12.6026 12.6923 12.7193 k = 0.5000 0.2887 0.1826 ( 6810 PWs) bands (ev): -31.3528 -31.3528 -31.3485 -31.3485 -31.3442 -31.3442 -12.6704 -12.6702 -12.6514 -12.6505 -12.6369 -12.6363 -12.3208 -12.3200 -12.2935 -12.2918 -12.2804 -12.2795 -12.2580 -12.2580 -12.2489 -12.2487 -12.2311 -12.2308 -1.4662 -1.4660 -1.1558 -1.1554 -0.9079 -0.9074 3.7613 3.8027 4.0140 4.0226 4.1035 4.1130 4.1523 4.1618 4.2593 4.3611 4.3800 4.3940 4.5295 4.5910 4.6663 4.7399 4.7818 4.8202 4.8473 4.8643 4.9207 4.9686 5.0579 5.0711 5.1345 5.1383 5.2088 5.2200 5.2821 5.2864 5.4564 5.4636 6.5433 6.5611 7.0971 7.1241 7.8547 7.8850 7.9013 7.9347 8.1851 8.2546 8.4501 8.4610 8.6004 8.6069 8.6324 8.6432 10.5982 10.6064 11.2114 11.2237 11.2415 11.2540 11.5507 11.5923 12.2617 12.2831 12.4566 12.4636 12.5729 12.5929 12.6522 12.6789 k = 0.5000 0.2887 0.1598 ( 6818 PWs) bands (ev): -31.3529 -31.3529 -31.3486 -31.3486 -31.3442 -31.3442 -12.6703 -12.6701 -12.6512 -12.6503 -12.6366 -12.6361 -12.3208 -12.3201 -12.2933 -12.2919 -12.2800 -12.2793 -12.2573 -12.2572 -12.2483 -12.2482 -12.2308 -12.2305 -1.4743 -1.4742 -1.1635 -1.1631 -0.9108 -0.9103 3.7755 3.8170 4.0066 4.0187 4.0955 4.1079 4.1357 4.1487 4.2610 4.3523 4.3726 4.3803 4.5368 4.5894 4.6657 4.7314 4.7830 4.8217 4.8469 4.8535 4.9248 4.9684 5.0594 5.0717 5.1365 5.1392 5.2100 5.2207 5.2831 5.2864 5.4548 5.4612 6.5460 6.5614 7.1025 7.1262 7.8894 7.9368 7.9482 7.9569 8.2282 8.2884 8.4601 8.4652 8.6334 8.6359 8.6781 8.6910 10.5469 10.5518 11.1622 11.1759 11.2291 11.2415 11.5293 11.5669 12.3004 12.3198 12.4642 12.4698 12.5610 12.5799 12.6309 12.6569 k = 0.5000 0.2887 0.1370 ( 6816 PWs) bands (ev): -31.3529 -31.3529 -31.3486 -31.3486 -31.3443 -31.3443 -12.6702 -12.6700 -12.6509 -12.6502 -12.6363 -12.6358 -12.3208 -12.3203 -12.2932 -12.2920 -12.2797 -12.2791 -12.2566 -12.2566 -12.2478 -12.2477 -12.2305 -12.2302 -1.4814 -1.4813 -1.1702 -1.1699 -0.9133 -0.9129 3.7893 3.8301 4.0004 4.0159 4.0864 4.1016 4.1216 4.1373 4.2632 4.3430 4.3660 4.3692 4.5439 4.5879 4.6658 4.7230 4.7845 4.8230 4.8442 4.8461 4.9290 4.9676 5.0612 5.0722 5.1382 5.1400 5.2113 5.2211 5.2840 5.2866 5.4536 5.4591 6.5477 6.5607 7.1069 7.1271 7.9120 7.9549 7.9981 8.0025 8.2723 8.3226 8.4625 8.4650 8.6393 8.6408 8.7562 8.7645 10.4941 10.4962 11.1127 11.1248 11.2234 11.2333 11.5031 11.5354 12.3369 12.3539 12.4622 12.4665 12.5508 12.5670 12.6306 12.6540 k = 0.5000 0.2887 0.1141 ( 6824 PWs) bands (ev): -31.3530 -31.3530 -31.3486 -31.3486 -31.3443 -31.3443 -12.6702 -12.6700 -12.6508 -12.6501 -12.6360 -12.6357 -12.3209 -12.3204 -12.2931 -12.2921 -12.2794 -12.2789 -12.2560 -12.2560 -12.2474 -12.2473 -12.2303 -12.2300 -1.4874 -1.4874 -1.1760 -1.1757 -0.9155 -0.9151 3.8025 3.8413 3.9959 4.0145 4.0759 4.0917 4.1124 4.1279 4.2659 4.3333 4.3603 4.3608 4.5506 4.5864 4.6665 4.7149 4.7864 4.8234 4.8370 4.8451 4.9333 4.9663 5.0630 5.0726 5.1395 5.1407 5.2125 5.2212 5.2847 5.2866 5.4527 5.4574 6.5488 6.5596 7.1104 7.1273 7.9284 7.9626 8.0445 8.0491 8.3148 8.3552 8.4612 8.4627 8.6427 8.6445 8.8330 8.8397 10.4409 10.4411 11.0672 11.0778 11.2189 11.2267 11.4751 11.5016 12.3691 12.3829 12.4526 12.4558 12.5457 12.5577 12.6463 12.6657 k = 0.5000 0.2887 0.0913 ( 6836 PWs) bands (ev): -31.3530 -31.3530 -31.3487 -31.3487 -31.3443 -31.3443 -12.6701 -12.6700 -12.6506 -12.6501 -12.6359 -12.6355 -12.3209 -12.3205 -12.2930 -12.2922 -12.2791 -12.2788 -12.2556 -12.2555 -12.2470 -12.2469 -12.2301 -12.2299 -1.4925 -1.4924 -1.1807 -1.1805 -0.9173 -0.9170 3.8150 3.8500 3.9938 4.0145 4.0644 4.0791 4.1078 4.1205 4.2691 4.3234 4.3547 4.3554 4.5568 4.5848 4.6679 4.7072 4.7887 4.8213 4.8333 4.8438 4.9375 4.9644 5.0649 5.0728 5.1407 5.1414 5.2138 5.2210 5.2854 5.2867 5.4522 5.4560 6.5496 6.5581 7.1133 7.1269 7.9408 7.9670 8.0850 8.0893 8.3533 8.3845 8.4582 8.4592 8.6452 8.6473 8.9049 8.9106 10.3882 10.3899 11.0276 11.0365 11.2151 11.2212 11.4482 11.4689 12.3942 12.4037 12.4403 12.4428 12.5483 12.5554 12.6693 12.6846 k = 0.5000 0.2887 0.0685 ( 6846 PWs) bands (ev): -31.3530 -31.3530 -31.3487 -31.3487 -31.3443 -31.3443 -12.6701 -12.6700 -12.6505 -12.6501 -12.6357 -12.6355 -12.3209 -12.3206 -12.2929 -12.2923 -12.2789 -12.2787 -12.2552 -12.2552 -12.2468 -12.2467 -12.2299 -12.2298 -1.4964 -1.4963 -1.1845 -1.1843 -0.9187 -0.9185 3.8266 3.8557 3.9944 4.0159 4.0523 4.0661 4.1055 4.1148 4.2731 4.3139 4.3505 4.3515 4.5624 4.5829 4.6701 4.6999 4.7913 4.8166 4.8331 4.8423 4.9417 4.9622 5.0667 5.0728 5.1415 5.1419 5.2151 5.2207 5.2859 5.2868 5.4520 5.4548 6.5502 6.5565 7.1158 7.1260 7.9504 7.9694 8.1182 8.1220 8.3860 8.4086 8.4545 8.4553 8.6471 8.6492 8.9680 8.9728 10.3411 10.3435 10.9955 11.0024 11.2122 11.2167 11.4252 11.4402 12.4098 12.4144 12.4292 12.4317 12.5588 12.5615 12.6931 12.7043 k = 0.5000 0.2887 0.0457 ( 6838 PWs) bands (ev): -31.3530 -31.3530 -31.3487 -31.3487 -31.3444 -31.3444 -12.6700 -12.6699 -12.6503 -12.6501 -12.6355 -12.6354 -12.3208 -12.3206 -12.2928 -12.2924 -12.2788 -12.2786 -12.2549 -12.2549 -12.2465 -12.2465 -12.2298 -12.2297 -1.4992 -1.4992 -1.1871 -1.1870 -0.9197 -0.9195 3.8370 3.8580 3.9981 4.0185 4.0407 4.0542 4.1045 4.1105 4.2778 4.3050 4.3478 4.3487 4.5673 4.5808 4.6731 4.6931 4.7945 4.8114 4.8343 4.8408 4.9458 4.9595 5.0684 5.0725 5.1421 5.1423 5.2163 5.2201 5.2863 5.2869 5.4520 5.4539 6.5508 6.5551 7.1180 7.1248 7.9577 7.9700 8.1433 8.1460 8.4112 8.4259 8.4512 8.4518 8.6486 8.6504 9.0182 9.0218 10.3034 10.3056 10.9719 10.9767 11.2103 11.2133 11.4080 11.4178 12.4150 12.4153 12.4228 12.4259 12.5731 12.5732 12.7133 12.7207 k = 0.5000 0.2887 0.0228 ( 6840 PWs) bands (ev): -31.3530 -31.3530 -31.3487 -31.3487 -31.3444 -31.3444 -12.6700 -12.6699 -12.6502 -12.6501 -12.6354 -12.6354 -12.3208 -12.3207 -12.2927 -12.2925 -12.2787 -12.2786 -12.2548 -12.2548 -12.2464 -12.2463 -12.2297 -12.2296 -1.5009 -1.5009 -1.1887 -1.1887 -0.9202 -0.9202 3.8457 3.8568 4.0046 4.0195 4.0330 4.0438 4.1045 4.1075 4.2833 4.2969 4.3463 4.3468 4.5716 4.5783 4.6769 4.6870 4.7980 4.8065 4.8358 4.8392 4.9496 4.9565 5.0698 5.0719 5.1425 5.1426 5.2175 5.2194 5.2866 5.2869 5.4522 5.4531 6.5516 6.5537 7.1200 7.1234 7.9631 7.9692 8.1591 8.1606 8.4278 8.4348 8.4493 8.4498 8.6498 8.6508 9.0511 9.0530 10.2789 10.2803 10.9579 10.9604 11.2094 11.2109 11.3981 11.4029 12.4118 12.4119 12.4232 12.4247 12.5843 12.5849 12.7272 12.7309 k = 0.5000 0.2887-0.0000 ( 6836 PWs) bands (ev): -31.3530 -31.3530 -31.3487 -31.3487 -31.3444 -31.3444 -12.6699 -12.6699 -12.6501 -12.6501 -12.6354 -12.6354 -12.3207 -12.3207 -12.2926 -12.2926 -12.2786 -12.2786 -12.2547 -12.2547 -12.2463 -12.2463 -12.2296 -12.2296 -1.5015 -1.5015 -1.1893 -1.1893 -0.9204 -0.9204 3.8525 3.8525 4.0129 4.0129 4.0358 4.0358 4.1055 4.1055 4.2897 4.2897 4.3460 4.3460 4.5752 4.5752 4.6816 4.6816 4.8020 4.8020 4.8375 4.8375 4.9532 4.9532 5.0710 5.0710 5.1426 5.1426 5.2185 5.2185 5.2868 5.2868 5.4525 5.4525 6.5525 6.5525 7.1218 7.1218 7.9669 7.9669 8.1650 8.1650 8.4353 8.4353 8.4491 8.4491 8.6506 8.6506 9.0632 9.0632 10.2709 10.2709 10.9540 10.9540 11.2096 11.2096 11.3962 11.3962 12.4102 12.4102 12.4240 12.4240 12.5891 12.5891 12.7333 12.7333 k = 0.3333 0.5774-0.0000 ( 6807 PWs) bands (ev): -31.3508 -31.3508 -31.3508 -31.3508 -31.3444 -31.3444 -12.6674 -12.6674 -12.6437 -12.6437 -12.6435 -12.6435 -12.3185 -12.3185 -12.2887 -12.2887 -12.2837 -12.2837 -12.2504 -12.2504 -12.2470 -12.2470 -12.2351 -12.2351 -1.4688 -1.4688 -1.0726 -1.0726 -1.0724 -1.0724 3.8597 3.8597 3.9078 3.9078 4.0559 4.0559 4.0786 4.0786 4.3301 4.3301 4.3702 4.3702 4.3854 4.3854 4.7537 4.7537 4.7791 4.7791 4.8990 4.8990 4.9596 4.9596 5.0586 5.0586 5.1409 5.1409 5.2273 5.2273 5.2760 5.2760 6.1526 6.1526 6.2710 6.2710 6.3342 6.3342 8.3256 8.3256 8.3267 8.3267 8.5672 8.5672 8.5985 8.5985 8.9469 8.9469 8.9754 8.9754 10.0708 10.0708 10.7311 10.7311 10.7642 10.7642 11.8668 11.8668 11.8698 11.8698 12.3461 12.3461 12.9775 12.9775 13.1921 13.1921 k = 0.3333 0.5774 0.0228 ( 6819 PWs) bands (ev): -31.3508 -31.3508 -31.3508 -31.3508 -31.3444 -31.3444 -12.6674 -12.6674 -12.6438 -12.6438 -12.6436 -12.6434 -12.3186 -12.3184 -12.2888 -12.2888 -12.2837 -12.2837 -12.2504 -12.2504 -12.2471 -12.2471 -12.2351 -12.2351 -1.4682 -1.4682 -1.0722 -1.0722 -1.0720 -1.0719 3.8550 3.8550 3.9124 3.9124 4.0517 4.0611 4.0793 4.0793 4.3283 4.3325 4.3702 4.3702 4.3859 4.3859 4.7433 4.7642 4.7791 4.7791 4.8985 4.8993 4.9594 4.9594 5.0584 5.0584 5.1408 5.1408 5.2273 5.2273 5.2753 5.2763 6.1532 6.1532 6.2713 6.2713 6.3327 6.3360 8.3200 8.3200 8.3201 8.3228 8.5680 8.5680 8.5975 8.6007 8.9321 8.9321 8.9752 8.9752 10.0832 10.0832 10.7304 10.7353 10.7660 10.7660 11.8712 11.8712 11.8729 11.8754 12.3505 12.3505 12.9668 12.9668 13.1871 13.1878 k = 0.3333 0.5774 0.0457 ( 6801 PWs) bands (ev): -31.3508 -31.3508 -31.3508 -31.3508 -31.3444 -31.3444 -12.6674 -12.6674 -12.6438 -12.6438 -12.6437 -12.6434 -12.3186 -12.3183 -12.2888 -12.2888 -12.2837 -12.2837 -12.2506 -12.2506 -12.2472 -12.2472 -12.2352 -12.2352 -1.4666 -1.4666 -1.0710 -1.0710 -1.0708 -1.0707 3.8442 3.8442 3.9230 3.9230 4.0487 4.0673 4.0815 4.0815 4.3270 4.3357 4.3702 4.3702 4.3875 4.3875 4.7331 4.7750 4.7794 4.7794 4.8980 4.8995 4.9587 4.9587 5.0578 5.0578 5.1407 5.1407 5.2274 5.2274 5.2742 5.2761 6.1550 6.1550 6.2722 6.2722 6.3316 6.3382 8.3035 8.3039 8.3039 8.3084 8.5701 8.5701 8.5978 8.6037 8.8901 8.8901 8.9743 8.9743 10.1184 10.1184 10.7330 10.7429 10.7712 10.7712 11.8843 11.8843 11.8848 11.8897 12.3639 12.3639 12.9391 12.9391 13.1734 13.1746 k = 0.3333 0.5774 0.0685 ( 6801 PWs) bands (ev): -31.3508 -31.3508 -31.3508 -31.3508 -31.3444 -31.3444 -12.6674 -12.6674 -12.6439 -12.6439 -12.6438 -12.6434 -12.3186 -12.3182 -12.2889 -12.2889 -12.2837 -12.2837 -12.2508 -12.2508 -12.2474 -12.2474 -12.2353 -12.2353 -1.4640 -1.4640 -1.0690 -1.0690 -1.0689 -1.0686 3.8307 3.8307 3.9359 3.9359 4.0468 4.0745 4.0852 4.0852 4.3262 4.3395 4.3703 4.3703 4.3901 4.3901 4.7231 4.7798 4.7798 4.7859 4.8973 4.8996 4.9576 4.9576 5.0568 5.0568 5.1404 5.1404 5.2274 5.2274 5.2727 5.2755 6.1578 6.1578 6.2736 6.2736 6.3308 6.3408 8.2781 8.2782 8.2782 8.2843 8.5725 8.5725 8.5990 8.6065 8.8261 8.8261 8.9725 8.9725 10.1714 10.1714 10.7390 10.7537 10.7797 10.7797 11.9051 11.9059 11.9059 11.9125 12.3860 12.3860 12.9019 12.9019 13.1520 13.1534 k = 0.3333 0.5774 0.0913 ( 6813 PWs) bands (ev): -31.3508 -31.3508 -31.3508 -31.3508 -31.3444 -31.3444 -12.6675 -12.6675 -12.6440 -12.6440 -12.6440 -12.6434 -12.3187 -12.3180 -12.2891 -12.2891 -12.2837 -12.2837 -12.2512 -12.2512 -12.2477 -12.2477 -12.2355 -12.2355 -1.4603 -1.4603 -1.0662 -1.0662 -1.0661 -1.0657 3.8162 3.8162 3.9497 3.9497 4.0459 4.0826 4.0902 4.0902 4.3258 4.3443 4.3704 4.3704 4.3937 4.3937 4.7133 4.7803 4.7803 4.7970 4.8966 4.8995 4.9560 4.9560 5.0554 5.0554 5.1400 5.1400 5.2274 5.2274 5.2707 5.2746 6.1617 6.1617 6.2756 6.2756 6.3304 6.3437 8.2444 8.2444 8.2451 8.2516 8.5741 8.5741 8.6004 8.6083 8.7461 8.7461 8.9700 8.9700 10.2362 10.2362 10.7480 10.7674 10.7913 10.7913 11.9333 11.9355 11.9355 11.9433 12.4165 12.4165 12.8607 12.8607 13.1244 13.1250 k = 0.3333 0.5774 0.1141 ( 6825 PWs) bands (ev): -31.3508 -31.3508 -31.3508 -31.3508 -31.3443 -31.3443 -12.6676 -12.6676 -12.6442 -12.6442 -12.6442 -12.6435 -12.3187 -12.3179 -12.2893 -12.2893 -12.2838 -12.2838 -12.2517 -12.2517 -12.2480 -12.2480 -12.2358 -12.2358 -1.4556 -1.4556 -1.0626 -1.0626 -1.0626 -1.0621 3.8011 3.8011 3.9638 3.9638 4.0461 4.0913 4.0966 4.0966 4.3258 4.3500 4.3705 4.3705 4.3983 4.3983 4.7037 4.7811 4.7811 4.8084 4.8960 4.8993 4.9540 4.9540 5.0537 5.0537 5.1395 5.1395 5.2275 5.2275 5.2684 5.2731 6.1665 6.1665 6.2781 6.2781 6.3304 6.3469 8.2037 8.2037 8.2055 8.2116 8.5725 8.5725 8.6012 8.6087 8.6567 8.6567 8.9668 8.9668 10.3080 10.3080 10.7599 10.7838 10.8057 10.8057 11.9689 11.9725 11.9725 11.9816 12.4548 12.4548 12.8186 12.8186 13.0919 13.0919 k = 0.3333 0.5774 0.1370 ( 6813 PWs) bands (ev): -31.3507 -31.3507 -31.3507 -31.3507 -31.3443 -31.3443 -12.6677 -12.6677 -12.6445 -12.6443 -12.6443 -12.6436 -12.3187 -12.3178 -12.2896 -12.2896 -12.2838 -12.2838 -12.2522 -12.2522 -12.2483 -12.2483 -12.2361 -12.2361 -1.4500 -1.4500 -1.0583 -1.0583 -1.0583 -1.0578 3.7857 3.7857 3.9780 3.9780 4.0474 4.1005 4.1043 4.1043 4.3261 4.3568 4.3708 4.3708 4.4039 4.4039 4.6945 4.7821 4.7821 4.8198 4.8956 4.8989 4.9516 4.9516 5.0517 5.0517 5.1391 5.1391 5.2276 5.2276 5.2657 5.2714 6.1721 6.1721 6.2813 6.2813 6.3308 6.3504 8.1573 8.1573 8.1605 8.1656 8.5405 8.5405 8.5888 8.5888 8.6009 8.6071 8.9628 8.9628 10.3828 10.3828 10.7743 10.8025 10.8225 10.8225 12.0111 12.0161 12.0161 12.0264 12.5001 12.5001 12.7773 12.7773 13.0559 13.0559 k = 0.3333 0.5774 0.1598 ( 6807 PWs) bands (ev): -31.3507 -31.3507 -31.3507 -31.3507 -31.3443 -31.3443 -12.6678 -12.6678 -12.6447 -12.6445 -12.6445 -12.6437 -12.3187 -12.3176 -12.2899 -12.2899 -12.2839 -12.2839 -12.2529 -12.2528 -12.2487 -12.2487 -12.2364 -12.2364 -1.4433 -1.4433 -1.0533 -1.0532 -1.0532 -1.0527 3.7702 3.7702 3.9921 3.9921 4.0496 4.1101 4.1132 4.1132 4.3268 4.3648 4.3711 4.3711 4.4105 4.4105 4.6857 4.7834 4.7834 4.8312 4.8957 4.8984 4.9488 4.9488 5.0493 5.0493 5.1385 5.1385 5.2277 5.2277 5.2626 5.2692 6.1783 6.1783 6.2850 6.2850 6.3316 6.3542 8.1060 8.1060 8.1109 8.1146 8.4445 8.4445 8.5784 8.5784 8.5991 8.6034 8.9583 8.9583 10.4578 10.4578 10.7910 10.8233 10.8416 10.8416 12.0586 12.0651 12.0651 12.0769 12.5509 12.5509 12.7376 12.7376 13.0183 13.0183 k = 0.3333 0.5774 0.1826 ( 6798 PWs) bands (ev): -31.3506 -31.3506 -31.3506 -31.3506 -31.3442 -31.3442 -12.6678 -12.6678 -12.6450 -12.6448 -12.6448 -12.6439 -12.3186 -12.3174 -12.2902 -12.2902 -12.2839 -12.2839 -12.2536 -12.2536 -12.2492 -12.2492 -12.2368 -12.2368 -1.4358 -1.4358 -1.0476 -1.0475 -1.0475 -1.0469 3.7546 3.7546 4.0061 4.0061 4.0526 4.1198 4.1233 4.1233 4.3277 4.3715 4.3715 4.3740 4.4181 4.4181 4.6774 4.7850 4.7850 4.8420 4.8968 4.8977 4.9457 4.9457 5.0467 5.0467 5.1379 5.1379 5.2278 5.2278 5.2592 5.2667 6.1849 6.1849 6.2893 6.2893 6.3327 6.3584 8.0507 8.0507 8.0575 8.0596 8.3395 8.3395 8.5726 8.5726 8.5955 8.5974 8.9531 8.9531 10.5312 10.5312 10.8097 10.8460 10.8626 10.8626 12.1102 12.1183 12.1183 12.1315 12.6051 12.6051 12.7002 12.7002 12.9805 12.9805 k = 0.3333 0.5774 0.2054 ( 6804 PWs) bands (ev): -31.3506 -31.3506 -31.3506 -31.3506 -31.3442 -31.3442 -12.6679 -12.6679 -12.6453 -12.6451 -12.6451 -12.6441 -12.3186 -12.3172 -12.2906 -12.2906 -12.2840 -12.2840 -12.2544 -12.2544 -12.2497 -12.2497 -12.2372 -12.2372 -1.4273 -1.4273 -1.0413 -1.0411 -1.0411 -1.0405 3.7388 3.7388 4.0197 4.0197 4.0563 4.1293 4.1343 4.1343 4.3288 4.3719 4.3719 4.3845 4.4266 4.4266 4.6697 4.7870 4.7870 4.8515 4.8968 4.8997 4.9423 4.9423 5.0440 5.0440 5.1373 5.1373 5.2280 5.2280 5.2555 5.2639 6.1916 6.1916 6.2941 6.2941 6.3343 6.3629 7.9922 7.9922 8.0011 8.0015 8.2332 8.2332 8.5655 8.5655 8.5891 8.5898 8.9472 8.9472 10.6016 10.6016 10.8302 10.8702 10.8852 10.8852 12.1640 12.1737 12.1737 12.1883 12.6591 12.6591 12.6659 12.6659 12.9434 12.9441 k = 0.3333 0.5774 0.2283 ( 6798 PWs) bands (ev): -31.3505 -31.3505 -31.3505 -31.3505 -31.3441 -31.3441 -12.6681 -12.6681 -12.6456 -12.6453 -12.6453 -12.6443 -12.3185 -12.3170 -12.2910 -12.2910 -12.2842 -12.2842 -12.2553 -12.2552 -12.2502 -12.2502 -12.2377 -12.2377 -1.4181 -1.4181 -1.0343 -1.0341 -1.0341 -1.0335 3.7231 3.7231 4.0331 4.0331 4.0607 4.1385 4.1464 4.1464 4.3302 4.3723 4.3723 4.3961 4.4359 4.4359 4.6631 4.7894 4.7894 4.8585 4.8958 4.9058 4.9386 4.9386 5.0410 5.0410 5.1367 5.1367 5.2281 5.2281 5.2515 5.2608 6.1980 6.1980 6.2995 6.2995 6.3363 6.3676 7.9311 7.9311 7.9410 7.9423 8.1277 8.1277 8.5563 8.5563 8.5785 8.5820 8.9409 8.9409 10.6682 10.6682 10.8522 10.8959 10.9094 10.9094 12.2175 12.2287 12.2287 12.2450 12.6331 12.6331 12.7101 12.7101 12.9079 12.9109 k = 0.3333 0.5774 0.2511 ( 6798 PWs) bands (ev): -31.3505 -31.3505 -31.3505 -31.3505 -31.3441 -31.3441 -12.6682 -12.6682 -12.6459 -12.6457 -12.6457 -12.6445 -12.3185 -12.3169 -12.2914 -12.2914 -12.2843 -12.2843 -12.2562 -12.2561 -12.2508 -12.2508 -12.2381 -12.2381 -1.4080 -1.4080 -1.0268 -1.0266 -1.0266 -1.0259 3.7074 3.7074 4.0460 4.0460 4.0657 4.1472 4.1592 4.1592 4.3317 4.3729 4.3729 4.4087 4.4461 4.4461 4.6577 4.7924 4.7924 4.8624 4.8947 4.9156 4.9347 4.9347 5.0380 5.0380 5.1363 5.1363 5.2283 5.2283 5.2472 5.2574 6.2038 6.2038 6.3054 6.3054 6.3386 6.3726 7.8679 7.8679 7.8788 7.8818 8.0245 8.0245 8.5448 8.5448 8.5654 8.5720 8.9339 8.9339 10.7304 10.7304 10.8756 10.9228 10.9350 10.9350 12.2674 12.2799 12.2799 12.2977 12.6038 12.6038 12.7505 12.7505 12.8774 12.8836 k = 0.3333 0.5774 0.2739 ( 6804 PWs) bands (ev): -31.3504 -31.3504 -31.3504 -31.3504 -31.3440 -31.3440 -12.6684 -12.6684 -12.6463 -12.6460 -12.6460 -12.6448 -12.3184 -12.3167 -12.2919 -12.2919 -12.2845 -12.2845 -12.2572 -12.2571 -12.2514 -12.2514 -12.2386 -12.2386 -1.3972 -1.3972 -1.0187 -1.0185 -1.0185 -1.0178 3.6917 3.6917 4.0585 4.0585 4.0711 4.1552 4.1729 4.1729 4.3333 4.3735 4.3735 4.4218 4.4568 4.4568 4.6541 4.7959 4.7959 4.8637 4.8934 4.9287 4.9307 4.9307 5.0349 5.0349 5.1359 5.1359 5.2285 5.2285 5.2427 5.2539 6.2085 6.2085 6.3117 6.3117 6.3414 6.3779 7.8030 7.8030 7.8157 7.8202 7.9250 7.9250 8.5309 8.5309 8.5498 8.5595 8.9265 8.9265 10.7880 10.7880 10.9002 10.9509 10.9617 10.9617 12.3092 12.3225 12.3225 12.3412 12.5775 12.5775 12.7757 12.7757 12.8550 12.8650 k = 0.3333 0.5774 0.2967 ( 6804 PWs) bands (ev): -31.3504 -31.3504 -31.3504 -31.3504 -31.3439 -31.3439 -12.6686 -12.6686 -12.6467 -12.6464 -12.6464 -12.6451 -12.3184 -12.3165 -12.2925 -12.2925 -12.2848 -12.2848 -12.2582 -12.2581 -12.2519 -12.2519 -12.2391 -12.2391 -1.3858 -1.3858 -1.0102 -1.0100 -1.0100 -1.0092 3.6762 3.6762 4.0705 4.0705 4.0768 4.1625 4.1871 4.1871 4.3351 4.3743 4.3743 4.4349 4.4681 4.4681 4.6529 4.8001 4.8001 4.8633 4.8920 4.9267 4.9267 4.9444 5.0318 5.0318 5.1356 5.1356 5.2287 5.2287 5.2380 5.2501 6.2117 6.2117 6.3183 6.3183 6.3446 6.3835 7.7366 7.7366 7.7521 7.7581 7.8307 7.8307 8.5145 8.5145 8.5317 8.5446 8.9186 8.9186 10.8408 10.8408 10.9258 10.9799 10.9895 10.9895 12.3379 12.3510 12.3510 12.3695 12.5540 12.5540 12.7856 12.7856 12.8437 12.8525 k = 0.3333 0.5774 0.3196 ( 6798 PWs) bands (ev): -31.3503 -31.3503 -31.3503 -31.3503 -31.3439 -31.3439 -12.6688 -12.6688 -12.6470 -12.6468 -12.6468 -12.6454 -12.3183 -12.3163 -12.2930 -12.2930 -12.2850 -12.2850 -12.2593 -12.2592 -12.2525 -12.2525 -12.2395 -12.2395 -1.3738 -1.3738 -1.0013 -1.0011 -1.0011 -1.0003 3.6607 3.6607 4.0819 4.0819 4.0827 4.1690 4.2018 4.2018 4.3370 4.3753 4.3753 4.4472 4.4797 4.4797 4.6550 4.8050 4.8050 4.8620 4.8905 4.9227 4.9227 4.9618 5.0287 5.0287 5.1357 5.1357 5.2289 5.2289 5.2332 5.2462 6.2126 6.2126 6.3251 6.3251 6.3481 6.3892 7.6687 7.6687 7.6887 7.6961 7.7432 7.7432 8.4955 8.4955 8.5111 8.5271 8.9104 8.9104 10.8887 10.8887 10.9523 11.0098 11.0181 11.0181 12.3495 12.3612 12.3612 12.3778 12.5333 12.5333 12.7844 12.7844 12.8422 12.8436 k = 0.3333 0.5774 0.3424 ( 6804 PWs) bands (ev): -31.3502 -31.3502 -31.3502 -31.3502 -31.3438 -31.3438 -12.6689 -12.6689 -12.6475 -12.6472 -12.6472 -12.6457 -12.3183 -12.3162 -12.2937 -12.2936 -12.2854 -12.2854 -12.2604 -12.2602 -12.2530 -12.2530 -12.2400 -12.2400 -1.3613 -1.3613 -0.9921 -0.9918 -0.9918 -0.9910 3.6453 3.6453 4.0888 4.0928 4.0928 4.1746 4.2168 4.2168 4.3390 4.3766 4.3766 4.4576 4.4915 4.4915 4.6611 4.8107 4.8107 4.8601 4.8888 4.9190 4.9190 4.9807 5.0257 5.0258 5.1360 5.1360 5.2283 5.2292 5.2292 5.2422 6.2105 6.2105 6.3320 6.3320 6.3521 6.3952 7.5996 7.5996 7.6258 7.6345 7.6637 7.6637 8.4738 8.4738 8.4878 8.5071 8.9017 8.9017 10.9316 10.9316 10.9794 11.0403 11.0473 11.0473 12.3429 12.3527 12.3527 12.3660 12.5155 12.5155 12.7741 12.7741 12.8306 12.8372 k = 0.3333 0.5774 0.3652 ( 6804 PWs) bands (ev): -31.3501 -31.3501 -31.3501 -31.3501 -31.3437 -31.3437 -12.6691 -12.6691 -12.6479 -12.6477 -12.6477 -12.6461 -12.3182 -12.3160 -12.2943 -12.2943 -12.2858 -12.2858 -12.2616 -12.2613 -12.2536 -12.2536 -12.2405 -12.2405 -1.3484 -1.3484 -0.9825 -0.9822 -0.9822 -0.9814 3.6301 3.6301 4.0949 4.1032 4.1032 4.1794 4.2317 4.2317 4.3410 4.3782 4.3782 4.4654 4.5032 4.5032 4.6719 4.8169 4.8169 4.8577 4.8871 4.9156 4.9156 5.0009 5.0230 5.0230 5.1367 5.1367 5.2233 5.2296 5.2296 5.2381 6.2047 6.2047 6.3390 6.3390 6.3564 6.4013 7.5310 7.5310 7.5641 7.5739 7.5920 7.5920 8.4495 8.4495 8.4620 8.4843 8.8928 8.8928 10.9695 10.9695 11.0070 11.0713 11.0769 11.0769 12.3207 12.3287 12.3287 12.3385 12.5003 12.5003 12.7559 12.7559 12.8064 12.8166 k = 0.3333 0.5774 0.3881 ( 6810 PWs) bands (ev): -31.3501 -31.3501 -31.3501 -31.3501 -31.3437 -31.3437 -12.6694 -12.6694 -12.6483 -12.6481 -12.6481 -12.6465 -12.3182 -12.3159 -12.2949 -12.2949 -12.2862 -12.2862 -12.2627 -12.2624 -12.2541 -12.2541 -12.2409 -12.2409 -1.3351 -1.3351 -0.9727 -0.9724 -0.9724 -0.9716 3.6151 3.6151 4.1009 4.1130 4.1130 4.1834 4.2463 4.2463 4.3431 4.3805 4.3805 4.4702 4.5148 4.5148 4.6877 4.8235 4.8235 4.8551 4.8854 4.9131 4.9131 5.0205 5.0205 5.0222 5.1379 5.1379 5.2183 5.2300 5.2300 5.2341 6.1943 6.1943 6.3460 6.3460 6.3610 6.4076 7.4656 7.4656 7.5039 7.5146 7.5269 7.5269 8.4224 8.4224 8.4336 8.4588 8.8836 8.8836 11.0024 11.0024 11.0348 11.1024 11.1065 11.1065 12.2872 12.2940 12.2940 12.3008 12.4879 12.4879 12.7328 12.7328 12.7737 12.7873 k = 0.3333 0.5774 0.4109 ( 6810 PWs) bands (ev): -31.3500 -31.3500 -31.3500 -31.3500 -31.3436 -31.3436 -12.6696 -12.6696 -12.6487 -12.6486 -12.6486 -12.6469 -12.3181 -12.3157 -12.2956 -12.2956 -12.2866 -12.2866 -12.2638 -12.2634 -12.2545 -12.2545 -12.2413 -12.2413 -1.3215 -1.3215 -0.9628 -0.9625 -0.9625 -0.9617 3.6004 3.6004 4.1068 4.1223 4.1223 4.1867 4.2602 4.2602 4.3452 4.3836 4.3836 4.4722 4.5261 4.5261 4.7080 4.8301 4.8301 4.8523 4.8836 4.9117 4.9117 5.0183 5.0183 5.0443 5.1397 5.1397 5.2134 5.2303 5.2305 5.2305 6.1785 6.1785 6.3528 6.3528 6.3660 6.4138 7.4057 7.4057 7.4456 7.4571 7.4672 7.4672 8.3926 8.3926 8.4026 8.4307 8.8743 8.8743 11.0301 11.0301 11.0624 11.1334 11.1359 11.1359 12.2467 12.2532 12.2532 12.2576 12.4780 12.4780 12.7079 12.7079 12.7379 12.7545 k = 0.3333 0.5774 0.4337 ( 6804 PWs) bands (ev): -31.3499 -31.3499 -31.3499 -31.3499 -31.3435 -31.3435 -12.6698 -12.6698 -12.6491 -12.6490 -12.6490 -12.6473 -12.3180 -12.3156 -12.2963 -12.2963 -12.2871 -12.2871 -12.2649 -12.2645 -12.2549 -12.2549 -12.2417 -12.2417 -1.3078 -1.3078 -0.9528 -0.9525 -0.9525 -0.9516 3.5859 3.5859 4.1124 4.1311 4.1311 4.1893 4.2728 4.2728 4.3473 4.3878 4.3878 4.4717 4.5370 4.5370 4.7320 4.8360 4.8360 4.8494 4.8821 4.9119 4.9119 5.0166 5.0166 5.0670 5.1423 5.1423 5.2088 5.2266 5.2311 5.2311 6.1567 6.1567 6.3596 6.3596 6.3711 6.4201 7.3525 7.3525 7.3896 7.4017 7.4130 7.4130 8.3602 8.3602 8.3692 8.3999 8.8648 8.8648 11.0524 11.0524 11.0896 11.1638 11.1646 11.1646 12.2027 12.2096 12.2096 12.2126 12.4706 12.4706 12.6833 12.6833 12.7023 12.7218 k = 0.3333 0.5774 0.4565 ( 6804 PWs) bands (ev): -31.3498 -31.3498 -31.3498 -31.3498 -31.3435 -31.3435 -12.6700 -12.6700 -12.6495 -12.6495 -12.6495 -12.6477 -12.3180 -12.3155 -12.2970 -12.2970 -12.2876 -12.2876 -12.2660 -12.2655 -12.2553 -12.2553 -12.2421 -12.2421 -1.2940 -1.2940 -0.9428 -0.9425 -0.9425 -0.9416 3.5718 3.5718 4.1178 4.1394 4.1394 4.1913 4.2838 4.2838 4.3495 4.3935 4.3935 4.4693 4.5474 4.5474 4.7587 4.8405 4.8405 4.8465 4.8810 4.9142 4.9142 5.0156 5.0156 5.0900 5.1457 5.1457 5.2047 5.2232 5.2319 5.2319 6.1284 6.1284 6.3662 6.3662 6.3765 6.4262 7.3056 7.3056 7.3363 7.3489 7.3651 7.3651 8.3252 8.3252 8.3334 8.3666 8.8553 8.8553 11.0692 11.0692 11.1158 11.1924 11.1924 11.1931 12.1580 12.1658 12.1658 12.1682 12.4654 12.4654 12.6601 12.6601 12.6683 12.6912 k = 0.3333 0.5774 0.4794 ( 6798 PWs) bands (ev): -31.3498 -31.3498 -31.3498 -31.3498 -31.3434 -31.3434 -12.6702 -12.6702 -12.6499 -12.6499 -12.6499 -12.6481 -12.3179 -12.3154 -12.2977 -12.2977 -12.2882 -12.2882 -12.2671 -12.2665 -12.2557 -12.2557 -12.2424 -12.2424 -1.2803 -1.2803 -0.9329 -0.9326 -0.9326 -0.9317 3.5580 3.5580 4.1230 4.1474 4.1474 4.1926 4.2926 4.2926 4.3517 4.4007 4.4007 4.4657 4.5575 4.5575 4.7867 4.8433 4.8433 4.8435 4.8809 4.9187 4.9187 5.0153 5.0153 5.1125 5.1502 5.1502 5.2016 5.2202 5.2330 5.2330 6.0939 6.0939 6.3726 6.3726 6.3819 6.4320 7.2632 7.2632 7.2861 7.2990 7.3257 7.3257 8.2879 8.2879 8.2955 8.3308 8.8459 8.8459 11.0803 11.0803 11.1408 11.2188 11.2188 11.2208 12.1149 12.1241 12.1241 12.1263 12.4623 12.4623 12.6361 12.6382 12.6382 12.6646 k = 0.3333 0.5774 0.5022 ( 6819 PWs) bands (ev): -31.3497 -31.3497 -31.3497 -31.3497 -31.3433 -31.3433 -12.6705 -12.6705 -12.6505 -12.6505 -12.6504 -12.6486 -12.3179 -12.3154 -12.2984 -12.2984 -12.2888 -12.2888 -12.2681 -12.2676 -12.2560 -12.2560 -12.2428 -12.2428 -1.2667 -1.2667 -0.9230 -0.9228 -0.9228 -0.9219 3.5446 3.5446 4.1277 4.1550 4.1550 4.1934 4.2991 4.2991 4.3539 4.4094 4.4094 4.4612 4.5674 4.5674 4.8135 4.8405 4.8442 4.8442 4.8834 4.9249 4.9249 5.0159 5.0159 5.1332 5.1557 5.1557 5.2008 5.2178 5.2344 5.2344 6.0536 6.0536 6.3787 6.3787 6.3873 6.4375 7.2233 7.2233 7.2393 7.2524 7.2966 7.2966 8.2483 8.2483 8.2556 8.2928 8.8366 8.8366 11.0857 11.0857 11.1639 11.2430 11.2430 11.2460 12.0755 12.0860 12.0860 12.0886 12.4610 12.4610 12.6058 12.6158 12.6158 12.6400 k = 0.3333 0.5774 0.5250 ( 6825 PWs) bands (ev): -31.3496 -31.3496 -31.3496 -31.3496 -31.3433 -31.3433 -12.6707 -12.6707 -12.6509 -12.6509 -12.6507 -12.6491 -12.3178 -12.3154 -12.2991 -12.2991 -12.2894 -12.2894 -12.2691 -12.2685 -12.2563 -12.2563 -12.2431 -12.2431 -1.2533 -1.2533 -0.9134 -0.9132 -0.9132 -0.9123 3.5318 3.5318 4.1322 4.1623 4.1623 4.1938 4.3035 4.3035 4.3561 4.4194 4.4194 4.4561 4.5773 4.5773 4.8346 4.8377 4.8437 4.8437 4.8926 4.9318 4.9318 5.0179 5.0179 5.1491 5.1624 5.1624 5.2048 5.2161 5.2363 5.2363 6.0082 6.0082 6.3841 6.3841 6.3925 6.4423 7.1852 7.1852 7.1963 7.2093 7.2777 7.2777 8.2067 8.2067 8.2140 8.2527 8.8274 8.8274 11.0857 11.0857 11.1846 11.2647 11.2647 11.2682 12.0413 12.0529 12.0529 12.0561 12.4613 12.4613 12.5773 12.5923 12.5923 12.6123 k = 0.3333 0.5774 0.5478 ( 6822 PWs) bands (ev): -31.3496 -31.3496 -31.3496 -31.3496 -31.3432 -31.3432 -12.6709 -12.6709 -12.6514 -12.6514 -12.6511 -12.6495 -12.3178 -12.3153 -12.2998 -12.2998 -12.2900 -12.2900 -12.2701 -12.2694 -12.2565 -12.2565 -12.2434 -12.2434 -1.2403 -1.2403 -0.9041 -0.9039 -0.9039 -0.9030 3.5194 3.5194 4.1363 4.1693 4.1693 4.1936 4.3059 4.3059 4.3584 4.4300 4.4300 4.4508 4.5875 4.5875 4.8350 4.8423 4.8423 4.8453 4.9123 4.9385 4.9385 5.0212 5.0212 5.1572 5.1701 5.1701 5.2154 5.2166 5.2390 5.2390 5.9588 5.9588 6.3888 6.3888 6.3974 6.4464 7.1500 7.1500 7.1573 7.1702 7.2676 7.2676 8.1635 8.1635 8.1711 8.2110 8.8186 8.8186 11.0806 11.0806 11.2025 11.2832 11.2832 11.2864 12.0136 12.0259 12.0259 12.0297 12.4631 12.4631 12.5503 12.5686 12.5686 12.5859 k = 0.3333 0.5774 0.5707 ( 6822 PWs) bands (ev): -31.3495 -31.3495 -31.3495 -31.3495 -31.3431 -31.3431 -12.6711 -12.6711 -12.6518 -12.6518 -12.6515 -12.6499 -12.3177 -12.3153 -12.3005 -12.3005 -12.2906 -12.2906 -12.2709 -12.2702 -12.2567 -12.2567 -12.2436 -12.2436 -1.2277 -1.2277 -0.8951 -0.8949 -0.8949 -0.8941 3.5077 3.5077 4.1400 4.1760 4.1760 4.1931 4.3068 4.3068 4.3607 4.4406 4.4406 4.4454 4.5981 4.5981 4.8324 4.8404 4.8404 4.8483 4.9390 4.9442 4.9442 5.0261 5.0261 5.1587 5.1785 5.1785 5.2160 5.2347 5.2429 5.2429 5.9065 5.9065 6.3925 6.3925 6.4017 6.4494 7.1185 7.1185 7.1229 7.1354 7.2644 7.2644 8.1190 8.1190 8.1274 8.1678 8.8101 8.8101 11.0710 11.0710 11.2172 11.2978 11.2978 11.3001 11.9935 12.0057 12.0057 12.0101 12.4660 12.4660 12.5244 12.5456 12.5456 12.5604 k = 0.3333 0.5774 0.5935 ( 6816 PWs) bands (ev): -31.3494 -31.3494 -31.3494 -31.3494 -31.3431 -31.3431 -12.6713 -12.6713 -12.6522 -12.6522 -12.6518 -12.6503 -12.3176 -12.3153 -12.3011 -12.3011 -12.2912 -12.2912 -12.2717 -12.2710 -12.2569 -12.2569 -12.2438 -12.2438 -1.2157 -1.2157 -0.8866 -0.8864 -0.8864 -0.8856 3.4965 3.4965 4.1435 4.1825 4.1825 4.1922 4.3064 4.3064 4.3630 4.4399 4.4507 4.4507 4.6094 4.6094 4.8300 4.8383 4.8383 4.8481 4.9487 4.9487 4.9678 5.0324 5.0324 5.1571 5.1870 5.1870 5.2182 5.2484 5.2484 5.2552 5.8523 5.8523 6.3950 6.3950 6.4054 6.4513 7.0914 7.0914 7.0931 7.1051 7.2664 7.2664 8.0737 8.0737 8.0831 8.1238 8.8019 8.8019 11.0577 11.0577 11.2286 11.3085 11.3085 11.3089 11.9816 11.9928 11.9928 11.9975 12.4697 12.4697 12.4996 12.5235 12.5235 12.5357 k = 0.3333 0.5774 0.6163 ( 6798 PWs) bands (ev): -31.3494 -31.3494 -31.3494 -31.3494 -31.3430 -31.3430 -12.6715 -12.6715 -12.6526 -12.6526 -12.6521 -12.6507 -12.3175 -12.3154 -12.3017 -12.3017 -12.2918 -12.2918 -12.2724 -12.2717 -12.2570 -12.2570 -12.2440 -12.2440 -1.2043 -1.2043 -0.8785 -0.8784 -0.8784 -0.8776 3.4862 3.4862 4.1468 4.1888 4.1888 4.1910 4.3050 4.3050 4.3654 4.4346 4.4599 4.4599 4.6214 4.6214 4.8278 4.8363 4.8363 4.8466 4.9519 4.9519 4.9959 5.0399 5.0399 5.1541 5.1949 5.1949 5.2225 5.2559 5.2559 5.2760 5.7974 5.7974 6.3961 6.3961 6.4083 6.4519 7.0682 7.0691 7.0691 7.0796 7.2723 7.2723 8.0280 8.0280 8.0390 8.0793 8.7943 8.7943 11.0414 11.0414 11.2366 11.3128 11.3151 11.3151 11.9778 11.9870 11.9870 11.9919 12.4736 12.4736 12.4754 12.5028 12.5028 12.5115 k = 0.3333 0.5774 0.6392 ( 6810 PWs) bands (ev): -31.3493 -31.3493 -31.3493 -31.3493 -31.3429 -31.3429 -12.6716 -12.6716 -12.6530 -12.6530 -12.6524 -12.6511 -12.3175 -12.3154 -12.3023 -12.3023 -12.2923 -12.2923 -12.2731 -12.2724 -12.2571 -12.2571 -12.2441 -12.2441 -1.1936 -1.1936 -0.8710 -0.8709 -0.8709 -0.8701 3.4765 3.4765 4.1497 4.1895 4.1949 4.1949 4.3028 4.3028 4.3678 4.4294 4.4679 4.4679 4.6339 4.6339 4.8259 4.8344 4.8344 4.8444 4.9540 4.9540 5.0217 5.0483 5.0483 5.1505 5.2017 5.2017 5.2293 5.2655 5.2655 5.2959 5.7426 5.7426 6.3957 6.3957 6.4102 6.4510 7.0482 7.0520 7.0520 7.0589 7.2808 7.2808 7.9826 7.9826 7.9956 8.0349 8.7872 8.7872 11.0231 11.0231 11.2416 11.3121 11.3179 11.3179 11.9815 11.9880 11.9880 11.9929 12.4518 12.4732 12.4732 12.4874 12.4874 12.4875 k = 0.3333 0.5774 0.6620 ( 6816 PWs) bands (ev): -31.3493 -31.3493 -31.3493 -31.3493 -31.3429 -31.3429 -12.6718 -12.6718 -12.6533 -12.6533 -12.6526 -12.6515 -12.3174 -12.3155 -12.3028 -12.3028 -12.2929 -12.2929 -12.2737 -12.2731 -12.2572 -12.2572 -12.2443 -12.2443 -1.1838 -1.1838 -0.8641 -0.8640 -0.8640 -0.8633 3.4677 3.4677 4.1524 4.1878 4.2007 4.2007 4.3001 4.3001 4.3703 4.4245 4.4746 4.4746 4.6468 4.6468 4.8242 4.8328 4.8328 4.8418 4.9553 4.9553 5.0442 5.0575 5.0575 5.1467 5.2072 5.2072 5.2391 5.2768 5.2768 5.3143 5.6889 5.6889 6.3940 6.3940 6.4112 6.4487 7.0331 7.0398 7.0398 7.0429 7.2910 7.2910 7.9381 7.9381 7.9535 7.9913 8.7806 8.7806 11.0037 11.0037 11.2441 11.3079 11.3176 11.3176 11.9919 11.9947 11.9947 11.9996 12.4286 12.4579 12.4579 12.4637 12.4878 12.4878 k = 0.3333 0.5774 0.6848 ( 6813 PWs) bands (ev): -31.3492 -31.3492 -31.3492 -31.3492 -31.3429 -31.3429 -12.6719 -12.6719 -12.6536 -12.6536 -12.6529 -12.6518 -12.3173 -12.3156 -12.3033 -12.3033 -12.2933 -12.2933 -12.2742 -12.2736 -12.2572 -12.2572 -12.2444 -12.2444 -1.1750 -1.1750 -0.8578 -0.8578 -0.8578 -0.8572 3.4598 3.4598 4.1549 4.1859 4.2064 4.2064 4.2969 4.2969 4.3728 4.4197 4.4802 4.4802 4.6596 4.6596 4.8229 4.8317 4.8317 4.8392 4.9561 4.9561 5.0628 5.0675 5.0675 5.1429 5.2120 5.2120 5.2519 5.2887 5.2887 5.3306 5.6371 5.6371 6.3910 6.3910 6.4113 6.4451 7.0225 7.0314 7.0323 7.0323 7.3019 7.3019 7.8953 7.8953 7.9137 7.9491 8.7747 8.7747 10.9841 10.9841 11.2447 11.3010 11.3151 11.3151 12.0060 12.0060 12.0076 12.0113 12.4057 12.4390 12.4390 12.4399 12.4924 12.4924 k = 0.3333 0.5774 0.7076 ( 6801 PWs) bands (ev): -31.3492 -31.3492 -31.3492 -31.3492 -31.3428 -31.3428 -12.6721 -12.6721 -12.6539 -12.6539 -12.6530 -12.6521 -12.3173 -12.3157 -12.3037 -12.3037 -12.2938 -12.2938 -12.2746 -12.2741 -12.2573 -12.2573 -12.2445 -12.2445 -1.1671 -1.1671 -0.8524 -0.8524 -0.8523 -0.8517 3.4528 3.4528 4.1573 4.1839 4.2118 4.2118 4.2935 4.2935 4.3754 4.4152 4.4846 4.4846 4.6719 4.6719 4.8220 4.8311 4.8311 4.8366 4.9566 4.9566 5.0776 5.0782 5.0782 5.1392 5.2164 5.2164 5.2673 5.3001 5.3001 5.3444 5.5881 5.5881 6.3870 6.3870 6.4109 6.4406 7.0160 7.0238 7.0289 7.0289 7.3127 7.3127 7.8550 7.8550 7.8768 7.9092 8.7695 8.7695 10.9653 10.9653 11.2441 11.2925 11.3111 11.3111 12.0206 12.0206 12.0269 12.0272 12.3831 12.4160 12.4202 12.4202 12.4973 12.4973 k = 0.3333 0.5774 0.7305 ( 6813 PWs) bands (ev): -31.3492 -31.3492 -31.3492 -31.3491 -31.3428 -31.3428 -12.6722 -12.6722 -12.6542 -12.6542 -12.6532 -12.6524 -12.3172 -12.3159 -12.3041 -12.3041 -12.2941 -12.2941 -12.2750 -12.2745 -12.2573 -12.2573 -12.2446 -12.2446 -1.1603 -1.1603 -0.8476 -0.8476 -0.8476 -0.8470 3.4468 3.4468 4.1596 4.1817 4.2168 4.2168 4.2899 4.2899 4.3780 4.4109 4.4881 4.4881 4.6831 4.6831 4.8213 4.8308 4.8308 4.8339 4.9568 4.9568 5.0889 5.0895 5.0895 5.1355 5.2212 5.2212 5.2843 5.3097 5.3097 5.3551 5.5431 5.5431 6.3826 6.3826 6.4100 6.4353 7.0128 7.0196 7.0289 7.0289 7.3230 7.3230 7.8182 7.8182 7.8438 7.8725 8.7651 8.7651 10.9479 10.9479 11.2430 11.2833 11.3063 11.3063 12.0372 12.0372 12.0453 12.0492 12.3611 12.3921 12.4022 12.4022 12.5019 12.5019 k = 0.3333 0.5774 0.7533 ( 6807 PWs) bands (ev): -31.3491 -31.3491 -31.3491 -31.3491 -31.3428 -31.3428 -12.6723 -12.6723 -12.6543 -12.6543 -12.6533 -12.6527 -12.3171 -12.3160 -12.3043 -12.3043 -12.2944 -12.2944 -12.2752 -12.2749 -12.2574 -12.2574 -12.2447 -12.2447 -1.1547 -1.1547 -0.8437 -0.8437 -0.8436 -0.8432 3.4418 3.4418 4.1618 4.1795 4.2215 4.2215 4.2864 4.2864 4.3807 4.4069 4.4907 4.4907 4.6928 4.6928 4.8211 4.8310 4.8310 4.8315 4.9568 4.9568 5.0975 5.1009 5.1009 5.1319 5.2268 5.2268 5.3018 5.3158 5.3158 5.3627 5.5036 5.5036 6.3781 6.3781 6.4091 6.4297 7.0121 7.0178 7.0311 7.0311 7.3320 7.3320 7.7859 7.7859 7.8157 7.8398 8.7614 8.7614 10.9327 10.9327 11.2421 11.2741 11.3016 11.3016 12.0542 12.0542 12.0652 12.0721 12.3401 12.3685 12.3853 12.3853 12.5060 12.5060 k = 0.3333 0.5774 0.7761 ( 6804 PWs) bands (ev): -31.3491 -31.3491 -31.3491 -31.3491 -31.3427 -31.3427 -12.6724 -12.6724 -12.6545 -12.6545 -12.6533 -12.6529 -12.3170 -12.3162 -12.3046 -12.3046 -12.2947 -12.2947 -12.2754 -12.2752 -12.2574 -12.2574 -12.2447 -12.2447 -1.1502 -1.1502 -0.8407 -0.8407 -0.8405 -0.8402 3.4379 3.4379 4.1640 4.1773 4.2256 4.2256 4.2831 4.2831 4.3836 4.4030 4.4926 4.4926 4.7007 4.7007 4.8212 4.8292 4.8314 4.8314 4.9568 4.9568 5.1041 5.1116 5.1116 5.1284 5.2341 5.2341 5.3167 5.3167 5.3187 5.3667 5.4716 5.4716 6.3740 6.3740 6.4086 6.4242 7.0131 7.0176 7.0345 7.0345 7.3394 7.3394 7.7592 7.7592 7.7934 7.8123 8.7584 8.7584 10.9203 10.9203 11.2417 11.2656 11.2974 11.2974 12.0701 12.0701 12.0854 12.0939 12.3212 12.3458 12.3704 12.3704 12.5093 12.5093 k = 0.3333 0.5774 0.7989 ( 6795 PWs) bands (ev): -31.3491 -31.3491 -31.3491 -31.3491 -31.3427 -31.3427 -12.6724 -12.6724 -12.6546 -12.6546 -12.6533 -12.6530 -12.3169 -12.3163 -12.3047 -12.3047 -12.2948 -12.2948 -12.2756 -12.2754 -12.2574 -12.2574 -12.2447 -12.2447 -1.1470 -1.1470 -0.8384 -0.8384 -0.8382 -0.8380 3.4351 3.4351 4.1662 4.1750 4.2289 4.2289 4.2804 4.2804 4.3865 4.3994 4.4940 4.4940 4.7064 4.7064 4.8217 4.8271 4.8319 4.8319 4.9568 4.9568 5.1094 5.1207 5.1207 5.1249 5.2436 5.2436 5.3114 5.3114 5.3340 5.3671 5.4492 5.4492 6.3708 6.3708 6.4087 6.4193 7.0149 7.0180 7.0380 7.0380 7.3449 7.3449 7.7392 7.7392 7.7778 7.7908 8.7563 8.7563 10.9111 10.9111 11.2422 11.2581 11.2941 11.2941 12.0833 12.0833 12.1040 12.1122 12.3062 12.3251 12.3584 12.3584 12.5118 12.5118 k = 0.3333 0.5774 0.8218 ( 6798 PWs) bands (ev): -31.3491 -31.3491 -31.3491 -31.3491 -31.3427 -31.3427 -12.6725 -12.6725 -12.6547 -12.6547 -12.6533 -12.6532 -12.3167 -12.3164 -12.3048 -12.3048 -12.2950 -12.2950 -12.2756 -12.2755 -12.2574 -12.2574 -12.2447 -12.2447 -1.1451 -1.1451 -0.8371 -0.8371 -0.8368 -0.8367 3.4334 3.4334 4.1684 4.1728 4.2311 4.2311 4.2785 4.2785 4.3895 4.3960 4.4947 4.4947 4.7099 4.7099 4.8226 4.8253 4.8322 4.8322 4.9568 4.9568 5.1139 5.1214 5.1267 5.1267 5.2544 5.2544 5.3013 5.3013 5.3470 5.3639 5.4367 5.4367 6.3687 6.3687 6.4098 6.4151 7.0167 7.0182 7.0406 7.0406 7.3483 7.3483 7.7268 7.7268 7.7695 7.7761 8.7551 8.7551 10.9054 10.9054 11.2440 11.2520 11.2921 11.2921 12.0922 12.0922 12.1186 12.1239 12.2977 12.3083 12.3504 12.3504 12.5134 12.5134 k = 0.3333 0.5774 0.8446 ( 6798 PWs) bands (ev): -31.3491 -31.3491 -31.3491 -31.3491 -31.3427 -31.3427 -12.6725 -12.6725 -12.6547 -12.6547 -12.6533 -12.6533 -12.3166 -12.3166 -12.3048 -12.3048 -12.2950 -12.2950 -12.2756 -12.2756 -12.2574 -12.2574 -12.2448 -12.2448 -1.1444 -1.1444 -0.8366 -0.8366 -0.8363 -0.8363 3.4328 3.4328 4.1706 4.1706 4.2318 4.2318 4.2779 4.2779 4.3927 4.3927 4.4950 4.4950 4.7111 4.7111 4.8238 4.8238 4.8324 4.8324 4.9568 4.9568 5.1178 5.1178 5.1289 5.1289 5.2607 5.2607 5.2948 5.2948 5.3571 5.3571 5.4329 5.4329 6.3680 6.3680 6.4119 6.4119 7.0178 7.0178 7.0415 7.0415 7.3494 7.3494 7.7226 7.7226 7.7689 7.7689 8.7547 8.7547 10.9035 10.9035 11.2473 11.2473 11.2914 11.2914 12.0953 12.0953 12.1261 12.1261 12.2983 12.2983 12.3476 12.3476 12.5139 12.5139 Writing output data file CaAgAs.save init_run : 5.06s CPU 14.20s WALL ( 1 calls) electrons : 2535.39s CPU 2553.33s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.42s CPU 1.45s WALL ( 1 calls) Called by electrons: c_bands : 2535.30s CPU 2552.91s WALL ( 1 calls) v_of_rho : 0.08s CPU 0.78s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.08s CPU 0.43s WALL ( 1 calls) newd : 0.85s CPU 0.93s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.08s CPU 0.18s WALL ( 262 calls) cegterg : 2436.39s CPU 2451.32s WALL ( 725 calls) Called by sum_band: Called by *egterg: h_psi : 798.31s CPU 809.23s WALL ( 13771 calls) s_psi : 121.04s CPU 121.48s WALL ( 13771 calls) g_psi : 2.16s CPU 2.14s WALL ( 12784 calls) cdiaghg : 1149.93s CPU 1149.43s WALL ( 13046 calls) cegterg:over : 206.56s CPU 204.55s WALL ( 12784 calls) cegterg:upda : 73.54s CPU 75.76s WALL ( 12784 calls) cegterg:last : 58.45s CPU 58.99s WALL ( 2223 calls) Called by h_psi: h_psi:vloc : 568.06s CPU 575.70s WALL ( 13771 calls) h_psi:vnl : 229.23s CPU 231.60s WALL ( 13771 calls) add_vuspsi : 93.92s CPU 97.85s WALL ( 13771 calls) General routines calbec : 135.23s CPU 133.61s WALL ( 13771 calls) fft : 0.65s CPU 1.64s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 544.37s CPU 549.08s WALL ( 2322184 calls) interpolate : 0.04s CPU 0.06s WALL ( 4 calls) davcio : 0.03s CPU 2.29s WALL ( 524 calls) Parallel routines fft_scatter : 336.38s CPU 342.90s WALL ( 2322207 calls) PWSCF : 43m48.57s CPU 46m35.17s WALL This run was terminated on: 13:29:56 14Nov2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=